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-yh- ./syyooyo` .sys+/oyo--yh/
`yy+ .-:-. `-/+/:` -sh-
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``..---hho---------` .---------..` `.-----.` -hd+---.
`./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:`
+sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy`
-yy/ /MMM+.`-+/``mMMy- `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs
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.sys`/MMMMNNMMMs- mMMmyooooymMMNo: oMMM/sMMMMMM++MMN//oh:
`sh+/MMMhyyMMMs- `-` mMMMMMMMMMNmy+-` -MMMhMMMsmMMmdMMd/yy+
`-/+++oyy-/MMM+.`/hh/.`mNm:` mMMd+/////:-.` NMMMMMd/:NMMMMMy:/yyo/:.`
+os+//:-..-oMMMo:--:::-/MMMo. .-mMMd+---` hMMMMN+. oMMMMMo. `-+osyso:`
syo `mNMMMMMNNNNNNNNMMMo.oNNMMMMMNNNN:` +MMMMs:` dMMMN/` ``:syo
/yh` :syyyyyyyyyyyyyyyy+.`+syyyyyyyyo:` .oyys:` .oyys:` +yh
-yh- ```````````````` ````````` `` `` oys
-+h/------------------------::::::::://////++++++++++++++++++++++///////::::/yd:
shdddddddddddddddddddddddddddddhhhhhhhhyyyyyssssssssssssssssyyyyyyyhhhhhhhddddh`
S. Ponce, E. R. Margine, C. Verdi, and F. Giustino, http://arxiv.org/abs/1604.03525
Program EPW v.4.0.0 (svn rev. 12728) starts on 13Aug2016 at 15:50: 0
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
HOST : @host@
ARCH : x86_64
CC : cc
CPP : cpp
F90 : mpif90
F77 : gfortran
DFLAGS : -D__GFORTRAN -D__STD_F95 -D__FFTW -D__MPI -D__PARA
BLAS LIBS : /home/sponce/program/espresso/BLAS/blas.a
LAPACK LIBS : /home/sponce/program/espresso/lapack-3.2/lapack.a
FFT LIBS :
MASS LIBS :
Parallel version (MPI), running on 1 processors
Reading data from directory:
./diam.save
Info: using nr1, nr2, nr3 values from input
Info: using nr1, nr2, nr3 values from input
IMPORTANT: XC functional enforced from input :
Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0 0)
Any further DFT definition will be discarded
Please, verify this is what you really want
file C_3.98148.UPF: wavefunction(s) 3d renormalized
G-vector sticks info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Sum 367 367 121 4645 4645 893
Possibly too few bands at point 1 0.00000 0.00000 0.00000
Possibly too few bands at point 2 -0.33333 0.33333 -0.33333
Possibly too few bands at point 3 -0.66667 0.66667 -0.66667
Possibly too few bands at point 4 0.33333 0.33333 0.33333
Possibly too few bands at point 5 0.00000 0.66667 0.00000
Possibly too few bands at point 6 -0.33333 1.00000 -0.33333
Possibly too few bands at point 7 0.66667 0.66667 0.66667
Possibly too few bands at point 8 0.33333 1.00000 0.33333
Possibly too few bands at point 9 0.00000 1.33333 0.00000
Possibly too few bands at point 10 -0.33333 -0.33333 0.33333
Possibly too few bands at point 11 -0.66667 0.00000 0.00000
Possibly too few bands at point 12 -1.00000 0.33333 -0.33333
Possibly too few bands at point 13 0.00000 0.00000 0.66667
Possibly too few bands at point 14 -0.33333 0.33333 0.33333
Possibly too few bands at point 15 -0.66667 0.66667 -0.00000
Possibly too few bands at point 16 0.33333 0.33333 1.00000
Possibly too few bands at point 17 0.00000 0.66667 0.66667
Possibly too few bands at point 18 -0.33333 1.00000 0.33333
Possibly too few bands at point 19 -0.66667 -0.66667 0.66667
Possibly too few bands at point 20 -1.00000 -0.33333 0.33333
Possibly too few bands at point 21 -1.33333 0.00000 0.00000
Possibly too few bands at point 22 -0.33333 -0.33333 1.00000
Possibly too few bands at point 23 -0.66667 -0.00000 0.66667
Possibly too few bands at point 24 -1.00000 0.33333 0.33333
Possibly too few bands at point 25 0.00000 0.00000 1.33333
Possibly too few bands at point 26 -0.33333 0.33333 1.00000
Possibly too few bands at point 27 -0.66667 0.66667 0.66667
autoval = -.1058E+01
Irreps are as follows:
mode # 1
( -0.56521 -0.00000 )
( 0.42053 -0.00000 )
( -0.06081 -0.00000 )
( 0.56521 -0.00000 )
( -0.42053 -0.00000 )
( 0.06081 -0.00000 )
autoval = -.1058E+01
Irreps are as follows:
mode # 2
( -0.04916 -0.00000 )
( 0.03580 -0.00000 )
( 0.70449 -0.00000 )
( 0.04916 -0.00000 )
( -0.03580 -0.00000 )
( -0.70449 -0.00000 )
autoval = -.1058E+01
Irreps are as follows:
mode # 3
( -0.42205 -0.00000 )
( -0.56734 -0.00000 )
( -0.00062 -0.00000 )
( 0.42205 0.00000 )
( 0.56734 0.00000 )
( 0.00062 0.00000 )
autoval = -.3035E+00
Irreps are as follows:
mode # 4
( -0.48720 -0.00000 )
( 0.51142 0.00000 )
( 0.03302 0.00000 )
( -0.48720 -0.00000 )
( 0.51142 0.00000 )
( 0.03302 0.00000 )
autoval = -.3035E+00
Irreps are as follows:
mode # 5
( -0.04899 -0.00000 )
( -0.00113 -0.00000 )
( -0.70541 -0.00000 )
( -0.04899 -0.00000 )
( -0.00113 -0.00000 )
( -0.70541 -0.00000 )
autoval = -.3035E+00
Irreps are as follows:
mode # 6
( -0.51013 -0.00000 )
( -0.48832 -0.00000 )
( 0.03621 -0.00000 )
( -0.51013 -0.00000 )
( -0.48832 -0.00000 )
( 0.03621 -0.00000 )
--
bravais-lattice index = 2
lattice parameter (a_0) = 6.6425 a.u.
unit-cell volume = 73.2698 (a.u.)^3
number of atoms/cell = 2
number of atomic types = 1
kinetic-energy cut-off = 60.0000 Ry
charge density cut-off = 240.0000 Ry
convergence threshold = 0.0E+00
beta = 0.0000
number of iterations used = 0
Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0 0)
celldm(1)= 6.64245 celldm(2)= 0.00000 celldm(3)= 0.00000
celldm(4)= 0.00000 celldm(5)= 0.00000 celldm(6)= 0.00000
crystal axes: (cart. coord. in units of a_0)
a(1) = ( -0.5000 0.0000 0.5000 )
a(2) = ( 0.0000 0.5000 0.5000 )
a(3) = ( -0.5000 0.5000 0.0000 )
reciprocal axes: (cart. coord. in units 2 pi/a_0)
b(1) = ( -1.0000 -1.0000 1.0000 )
b(2) = ( 1.0000 1.0000 1.0000 )
b(3) = ( -1.0000 1.0000 -1.0000 )
Atoms inside the unit cell:
Cartesian axes
site n. atom mass positions (a_0 units)
1 C 12.0118 tau( 1) = ( 0.00000 0.00000 0.00000 )
2 C 12.0118 tau( 2) = ( 0.25000 0.25000 0.25000 )
49 Sym.Ops. (with q -> -q+G )
s frac. trans.
isym = 1 <00>?<00>?
cryst. s( 1) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s( 1) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 2 <00>?<00>?
cryst. s( 2) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s( 2) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 3 <00>?<00>?
cryst. s( 3) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s( 3) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 4 <00>?<00>?
cryst. s( 4) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s( 4) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 5 <00>?<00>?
cryst. s( 5) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s( 5) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 6 <00>?<00>?
cryst. s( 6) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s( 6) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 7 <00>?<00>?
cryst. s( 7) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s( 7) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 8 <00>?<00>?
cryst. s( 8) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s( 8) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 9 <00>?<00>?
cryst. s( 9) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s( 9) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 10 <00>?<00>?
cryst. s(10) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(10) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 11 <00>?<00>?
cryst. s(11) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(11) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 12 <00>?<00>?
cryst. s(12) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(12) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 13 <00>?<00>?
cryst. s(13) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(13) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 14 <00>?<00>?
cryst. s(14) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(14) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 15 <00>?<00>?
cryst. s(15) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(15) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 16 <00>?<00>?
cryst. s(16) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(16) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 17 <00>?<00>?
cryst. s(17) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(17) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 18 <00>?<00>?
cryst. s(18) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(18) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 19 <00>?<00>?
cryst. s(19) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(19) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 20 <00>?<00>?
cryst. s(20) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(20) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 21 <00>?<00>?
cryst. s(21) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(21) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 22 <00>?<00>?
cryst. s(22) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(22) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 23 <00>?<00>?
cryst. s(23) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(23) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 24 <00>?<00>?
cryst. s(24) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(24) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 25 <00>?<00>?
cryst. s(25) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(25) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 26 <00>?<00>?
cryst. s(26) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(26) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 27 <00>?<00>?
cryst. s(27) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(27) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 28 <00>?<00>?
cryst. s(28) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(28) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 29 <00>?<00>?
cryst. s(29) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(29) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 30 <00>?<00>?
cryst. s(30) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(30) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 31 <00>?<00>?
cryst. s(31) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(31) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 32 <00>?<00>?
cryst. s(32) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(32) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 33 <00>?<00>?
cryst. s(33) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(33) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 34 <00>?<00>?
cryst. s(34) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(34) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 35 <00>?<00>?
cryst. s(35) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(35) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 36 <00>?<00>?
cryst. s(36) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(36) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 37 <00>?<00>?
cryst. s(37) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(37) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 38 <00>?<00>?
cryst. s(38) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(38) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 39 <00>?<00>?
cryst. s(39) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(39) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 40 <00>?<00>?
cryst. s(40) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(40) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 41 <00>?<00>?
cryst. s(41) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(41) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 42 <00>?<00>?
cryst. s(42) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(42) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 43 <00>?<00>?
cryst. s(43) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(43) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 44 <00>?<00>?
cryst. s(44) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(44) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 45 <00>?<00>?
cryst. s(45) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(45) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 46 <00>?<00>?
cryst. s(46) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(46) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 47 <00>?<00>?
cryst. s(47) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(47) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
isym = 48 <00>?<00>?
cryst. s(48) = (************ 0 ) f =( 1.8333333 )
(****** ****** 0 ) ( 1.7500000 )
(****** 0 0 ) ( 1.7916667 )
cart. s(48) = ( 0.0000000 0.0000000 0.0000000 ) f =( -1.8125000 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7708333 )
( 0.0000000 0.0000000 0.0000000 ) ( 1.7916667 )
This transformation sends q -> -q+G
isym = 49 identity
cryst. s(49) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s(49) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
G cutoff = 268.2305 ( 4645 G-vectors) FFT grid: ( 24, 24, 24)
number of k points= 27 gaussian broad. (Ry)= 0.0200 ngauss = 1
cart. coord. in units 2pi/a_0
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0740741
k( 2) = ( -0.3333333 0.3333333 -0.3333333), wk = 0.0740741
k( 3) = ( -0.6666667 0.6666667 -0.6666667), wk = 0.0740741
k( 4) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0740741
k( 5) = ( 0.0000000 0.6666667 0.0000000), wk = 0.0740741
k( 6) = ( -0.3333333 1.0000000 -0.3333333), wk = 0.0740741
k( 7) = ( 0.6666667 0.6666667 0.6666667), wk = 0.0740741
k( 8) = ( 0.3333333 1.0000000 0.3333333), wk = 0.0740741
k( 9) = ( 0.0000000 1.3333333 0.0000000), wk = 0.0740741
k( 10) = ( -0.3333333 -0.3333333 0.3333333), wk = 0.0740741
k( 11) = ( -0.6666667 0.0000000 0.0000000), wk = 0.0740741
k( 12) = ( -1.0000000 0.3333333 -0.3333333), wk = 0.0740741
k( 13) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0740741
k( 14) = ( -0.3333333 0.3333333 0.3333333), wk = 0.0740741
k( 15) = ( -0.6666667 0.6666667 -0.0000000), wk = 0.0740741
k( 16) = ( 0.3333333 0.3333333 1.0000000), wk = 0.0740741
k( 17) = ( 0.0000000 0.6666667 0.6666667), wk = 0.0740741
k( 18) = ( -0.3333333 1.0000000 0.3333333), wk = 0.0740741
k( 19) = ( -0.6666667 -0.6666667 0.6666667), wk = 0.0740741
k( 20) = ( -1.0000000 -0.3333333 0.3333333), wk = 0.0740741
k( 21) = ( -1.3333333 0.0000000 0.0000000), wk = 0.0740741
k( 22) = ( -0.3333333 -0.3333333 1.0000000), wk = 0.0740741
k( 23) = ( -0.6666667 -0.0000000 0.6666667), wk = 0.0740741
k( 24) = ( -1.0000000 0.3333333 0.3333333), wk = 0.0740741
k( 25) = ( 0.0000000 0.0000000 1.3333333), wk = 0.0740741
k( 26) = ( -0.3333333 0.3333333 1.0000000), wk = 0.0740741
k( 27) = ( -0.6666667 0.6666667 0.6666667), wk = 0.0740741
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0740741
k( 2) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0740741
k( 3) = ( 0.0000000 0.0000000 0.6666667), wk = 0.0740741
k( 4) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0740741
k( 5) = ( 0.0000000 0.3333333 0.3333333), wk = 0.0740741
k( 6) = ( 0.0000000 0.3333333 0.6666667), wk = 0.0740741
k( 7) = ( 0.0000000 0.6666667 0.0000000), wk = 0.0740741
k( 8) = ( 0.0000000 0.6666667 0.3333333), wk = 0.0740741
k( 9) = ( 0.0000000 0.6666667 0.6666667), wk = 0.0740741
k( 10) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0740741
k( 11) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0740741
k( 12) = ( 0.3333333 0.0000000 0.6666667), wk = 0.0740741
k( 13) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0740741
k( 14) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0740741
k( 15) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0740741
k( 16) = ( 0.3333333 0.6666667 0.0000000), wk = 0.0740741
k( 17) = ( 0.3333333 0.6666667 0.3333333), wk = 0.0740741
k( 18) = ( 0.3333333 0.6666667 0.6666667), wk = 0.0740741
k( 19) = ( 0.6666667 0.0000000 0.0000000), wk = 0.0740741
k( 20) = ( 0.6666667 0.0000000 0.3333333), wk = 0.0740741
k( 21) = ( 0.6666667 0.0000000 0.6666667), wk = 0.0740741
k( 22) = ( 0.6666667 0.3333333 0.0000000), wk = 0.0740741
k( 23) = ( 0.6666667 0.3333333 0.3333333), wk = 0.0740741
k( 24) = ( 0.6666667 0.3333333 0.6666667), wk = 0.0740741
k( 25) = ( 0.6666667 0.6666667 0.0000000), wk = 0.0740741
k( 26) = ( 0.6666667 0.6666667 0.3333333), wk = 0.0740741
k( 27) = ( 0.6666667 0.6666667 0.6666667), wk = 0.0740741
PseudoPot. # 1 for C read from file:
./C_3.98148.UPF
MD5 check sum: 8b65adcd36341f53911399f4b6efa59f
Pseudo is Norm-conserving, Zval = 4.0
Generated by new atomic code, or converted to UPF format
Using radial grid of 461 points, 2 beta functions with:
l(1) = 0
l(2) = 1
EPW : 0.39s CPU 0.20s WALL
EPW : 0.49s CPU 0.25s WALL
No wavefunction gauge setting applied
-------------------------------------------------------------------
Wannierization on 3 x 3 x 3 electronic grid
-------------------------------------------------------------------
Spin CASE ( default = unpolarized )
Initializing Wannier90
Initial Wannier projections
( 0.00000 0.00000 0.00000) : l = -3 mr = 1
( 0.00000 0.00000 0.00000) : l = -3 mr = 2
( 0.00000 0.00000 0.00000) : l = -3 mr = 3
( 0.00000 0.00000 0.00000) : l = -3 mr = 4
- Number of bands is ( 4)
- Number of wannier functions is ( 4)
- All guiding functions are given
Reading data about k-point neighbours
- All neighbours are found
AMN
k points = 27 in 1 pools
1 of 27 on ionode
2 of 27 on ionode
3 of 27 on ionode
4 of 27 on ionode
5 of 27 on ionode
6 of 27 on ionode
7 of 27 on ionode
8 of 27 on ionode
9 of 27 on ionode
10 of 27 on ionode
11 of 27 on ionode
12 of 27 on ionode
13 of 27 on ionode
14 of 27 on ionode
15 of 27 on ionode
16 of 27 on ionode
17 of 27 on ionode
18 of 27 on ionode
19 of 27 on ionode
20 of 27 on ionode
21 of 27 on ionode
22 of 27 on ionode
23 of 27 on ionode
24 of 27 on ionode
25 of 27 on ionode
26 of 27 on ionode
27 of 27 on ionode
AMN calculated
MMN
k points = 27 in 1 pools
1 of 27 on ionode
2 of 27 on ionode
3 of 27 on ionode
4 of 27 on ionode
5 of 27 on ionode
6 of 27 on ionode
7 of 27 on ionode
8 of 27 on ionode
9 of 27 on ionode
10 of 27 on ionode
11 of 27 on ionode
12 of 27 on ionode
13 of 27 on ionode
14 of 27 on ionode
15 of 27 on ionode
16 of 27 on ionode
17 of 27 on ionode
18 of 27 on ionode
19 of 27 on ionode
20 of 27 on ionode
21 of 27 on ionode
22 of 27 on ionode
23 of 27 on ionode
24 of 27 on ionode
25 of 27 on ionode
26 of 27 on ionode
27 of 27 on ionode
MMN calculated
Running Wannier90
Wannier Function centers (cartesian, alat) and spreads (ang):
( 0.12500 0.12500 0.12500) : 0.57702
( 0.12500 -0.12500 -0.12500) : 0.57702
( -0.12500 0.12500 -0.12500) : 0.57702
( -0.12500 -0.12500 0.12500) : 0.57702
-------------------------------------------------------------------
WANNIER : 5.68s CPU 2.84s WALL ( 1 calls)
-------------------------------------------------------------------
Dipole matrix elements calculated
Calculating kmap and kgmap
Progress kmap: ###########################
Progress kgmap: ########################################
kmaps : 0.76s CPU 0.39s WALL ( 1 calls)
Symmetries of bravais lattice: 48
Symmetries of crystal: 48
===================================================================
irreducible q point # 1
===================================================================
Symmetries of small group of q: 48
in addition sym. q -> -q+G:
Number of q in the star = 1
List of q in the star:
1 0.000000000 0.000000000 0.000000000
Imposing acoustic sum rule on the dynamical matrix
Frequencies of the matrix for the current q in the star
0.00000 0.00000 0.00000 931.99429 931.99429 931.99429
q( 1 ) = ( 0.0000000 0.0000000 0.0000000 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 180 deg rotation - cart. axis [1,0,1]
cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 5 180 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 6 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 6) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 7 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 8) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 9 90 deg rotation - cart. axis [0,1,0]
cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(11) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(12) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(12) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 120 deg rotation - cart. axis [1,-1,1]
cryst. s(22) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(26) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(26) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 90 deg rotation - cart. axis [0,-1,0]
cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
1 1 1 T T
1 2 2 T T
1 3 3 T F
1 4 4 T F
1 5 5 T T
1 6 6 T F
1 7 7 T F
1 8 8 T T
1 9 9 T F
1 10 10 T F
1 11 11 T T
1 12 12 T T
1 13 13 T F
1 14 14 T F
1 15 15 T F
1 16 16 T F
1 17 17 T T
1 18 18 T T
1 19 19 T T
1 20 20 T T
1 21 21 T T
1 22 22 T T
1 23 23 T T
1 24 24 T T
1 25 25 T F
1 26 26 T T
1 27 27 T F
1 28 28 T F
1 29 29 T T
1 30 30 T T
1 31 31 T T
1 32 32 T T
1 33 33 T F
1 34 34 T F
1 35 35 T T
1 36 36 T T
1 37 37 T F
1 38 38 T T
1 39 39 T T
1 40 40 T T
1 41 41 T F
1 42 42 T F
1 43 43 T F
1 44 44 T F
1 45 45 T F
1 46 46 T F
1 47 47 T F
1 48 48 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
-0.00000 -0.00000 -0.00000 931.99429 931.99429 931.99429
-0.00000 -0.00000 -0.00000 115.54865 115.54865 115.54865
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
-0.00000 -0.00000 -0.00000 931.99429 931.99429 931.99429
===================================================================
irreducible q point # 2
===================================================================
Symmetries of small group of q: 6
Number of q in the star = 8
List of q in the star:
1 -0.333333333 0.333333333 -0.333333333
2 0.333333333 0.333333333 -0.333333333
3 0.333333333 0.333333333 0.333333333
4 -0.333333333 0.333333333 0.333333333
5 0.333333333 -0.333333333 0.333333333
6 -0.333333333 -0.333333333 -0.333333333
7 0.333333333 -0.333333333 -0.333333333
8 -0.333333333 -0.333333333 0.333333333
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
q( 2 ) = ( -0.3333333 0.3333333 -0.3333333 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 120 deg rotation - cart. axis [-1,1,-1]
cryst. s( 3) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s( 4) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 5 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 5) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 6 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s( 6) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 8) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 9 90 deg rotation - cart. axis [0,1,0]
cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 180 deg rotation - cart. axis [0,1,0]
cryst. s(22) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s(22) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 27 90 deg rotation - cart. axis [0,-1,0]
cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
1 1 1 T T
1 2 2 T T
1 3 3 T T
1 4 4 T T
1 5 5 T T
1 6 6 T T
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
61.59900 61.59900 109.65734 139.04394 139.04394 155.06772
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
q( 3 ) = ( 0.3333333 0.3333333 -0.3333333 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 120 deg rotation - cart. axis [-1,1,-1]
cryst. s( 3) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s( 4) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 5 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 5) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 6 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s( 6) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 8) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 9 90 deg rotation - cart. axis [0,1,0]
cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 180 deg rotation - cart. axis [0,1,0]
cryst. s(22) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s(22) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 27 90 deg rotation - cart. axis [0,-1,0]
cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
2 1 7 T F
2 2 14 T F
2 3 27 T F
2 4 28 T F
2 5 42 T F
2 6 45 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
61.59900 61.59900 109.65734 139.04394 139.04394 155.06772
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
q( 4 ) = ( 0.3333333 0.3333333 0.3333333 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 120 deg rotation - cart. axis [-1,1,-1]
cryst. s( 3) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s( 4) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 5 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 5) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 6 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s( 6) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 8) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 9 90 deg rotation - cart. axis [0,1,0]
cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 180 deg rotation - cart. axis [0,1,0]
cryst. s(22) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s(22) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 27 90 deg rotation - cart. axis [0,-1,0]
cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
3 1 8 T T
3 2 19 T T
3 3 22 T T
3 4 23 T T
3 5 32 T T
3 6 39 T T
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
61.59900 61.59900 109.65734 139.04394 139.04394 155.06772
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
q( 5 ) = ( -0.3333333 0.3333333 0.3333333 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 120 deg rotation - cart. axis [-1,1,-1]
cryst. s( 3) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s( 4) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 5 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 5) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 6 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s( 6) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 8) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 9 90 deg rotation - cart. axis [0,1,0]
cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 180 deg rotation - cart. axis [0,1,0]
cryst. s(22) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s(22) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 27 90 deg rotation - cart. axis [0,-1,0]
cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
4 1 9 T F
4 2 16 T F
4 3 26 T F
4 4 37 T F
4 5 41 T F
4 6 48 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
61.59900 61.59900 109.65734 139.04394 139.04394 155.06772
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
q( 6 ) = ( 0.3333333 -0.3333333 0.3333333 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 120 deg rotation - cart. axis [-1,1,-1]
cryst. s( 3) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s( 4) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 5 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 5) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 6 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s( 6) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 8) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 9 90 deg rotation - cart. axis [0,1,0]
cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 180 deg rotation - cart. axis [0,1,0]
cryst. s(22) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s(22) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 27 90 deg rotation - cart. axis [0,-1,0]
cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
5 1 10 T F
5 2 13 T F
5 3 25 T F
5 4 34 T F
5 5 44 T F
5 6 46 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
61.59900 61.59900 109.65734 139.04394 139.04394 155.06772
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
q( 7 ) = ( -0.3333333 -0.3333333 -0.3333333 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 120 deg rotation - cart. axis [-1,1,-1]
cryst. s( 3) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s( 4) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 5 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 5) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 6 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s( 6) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 8) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 9 90 deg rotation - cart. axis [0,1,0]
cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 180 deg rotation - cart. axis [0,1,0]
cryst. s(22) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s(22) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 27 90 deg rotation - cart. axis [0,-1,0]
cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
6 1 11 T F
6 2 12 T F
6 3 15 T F
6 4 33 T F
6 5 43 T F
6 6 47 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
61.59900 61.59900 109.65734 139.04394 139.04394 155.06772
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
q( 8 ) = ( 0.3333333 -0.3333333 -0.3333333 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 120 deg rotation - cart. axis [-1,1,-1]
cryst. s( 3) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s( 4) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 5 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 5) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 6 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s( 6) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 8) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 9 90 deg rotation - cart. axis [0,1,0]
cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 180 deg rotation - cart. axis [0,1,0]
cryst. s(22) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s(22) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 27 90 deg rotation - cart. axis [0,-1,0]
cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
7 1 17 T T
7 2 20 T T
7 3 24 T T
7 4 30 T T
7 5 35 T T
7 6 40 T T
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
61.59900 61.59900 109.65734 139.04394 139.04394 155.06772
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
q( 9 ) = ( -0.3333333 -0.3333333 0.3333333 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 120 deg rotation - cart. axis [-1,1,-1]
cryst. s( 3) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s( 4) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 5 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 5) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 5) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 6 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s( 6) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s( 6) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 7) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 8) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 9 90 deg rotation - cart. axis [0,1,0]
cryst. s( 9) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 180 deg rotation - cart. axis [0,1,0]
cryst. s(22) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s(22) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s(26) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(26) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 27 90 deg rotation - cart. axis [0,-1,0]
cryst. s(27) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(27) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
8 1 18 T T
8 2 21 T T
8 3 29 T T
8 4 31 T T
8 5 36 T T
8 6 38 T T
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
61.59900 61.59900 109.65734 139.04394 139.04394 155.06772
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
496.84625 496.84625 884.47601 1121.50297 1121.50297 1250.74788
===================================================================
irreducible q point # 3
===================================================================
Symmetries of small group of q: 8
Number of q in the star = 6
List of q in the star:
1 0.000000000 0.666666667 0.000000000
2 -0.666666667 0.000000000 0.000000000
3 0.000000000 -0.666666667 0.000000000
4 0.000000000 0.000000000 0.666666667
5 0.000000000 0.000000000 -0.666666667
6 0.666666667 0.000000000 0.000000000
Frequencies of the matrix for the current q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
Frequencies of the matrix for the current q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
Frequencies of the matrix for the current q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
Frequencies of the matrix for the current q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
Frequencies of the matrix for the current q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
Frequencies of the matrix for the current q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
q( 10 ) = ( 0.0000000 0.6666667 0.0000000 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 3) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 4) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 4) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
1 1 1 T T
1 2 2 T T
1 3 3 T F
1 4 4 T T
1 5 5 T F
1 6 6 T T
1 7 7 T F
1 8 8 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
83.55340 83.55340 118.21172 143.69725 143.69725 163.26559
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
q( 11 ) = ( -0.6666667 0.0000000 0.0000000 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 3) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 4) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 4) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
2 1 9 T T
2 2 18 T T
2 3 27 T T
2 4 31 T T
2 5 33 T F
2 6 37 T F
2 7 41 T F
2 8 43 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
83.55340 83.55340 118.21172 143.69725 143.69725 163.26559
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
Frequencies of the matrix for the current q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
q( 12 ) = ( 0.0000000 -0.6666667 0.0000000 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 3) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 4) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 4) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
3 1 10 T F
3 2 11 T F
3 3 12 T F
3 4 20 T T
3 5 25 T F
3 6 29 T T
3 7 35 T T
3 8 36 T T
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
83.55340 83.55340 118.21172 143.69725 143.69725 163.26559
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
q( 13 ) = ( 0.0000000 0.0000000 0.6666667 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 3) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 4) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 4) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
4 1 13 T F
4 2 16 T F
4 3 21 T T
4 4 23 T T
4 5 38 T T
4 6 39 T T
4 7 46 T F
4 8 48 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
83.55340 83.55340 118.21172 143.69725 143.69725 163.26559
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
q( 14 ) = ( 0.0000000 0.0000000 -0.6666667 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 3) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 4) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 4) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
5 1 14 T F
5 2 15 T F
5 3 22 T T
5 4 24 T T
5 5 26 T T
5 6 40 T T
5 7 45 T F
5 8 47 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
83.55340 83.55340 118.21172 143.69725 143.69725 163.26559
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
Frequencies of the matrix for the current q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
q( 15 ) = ( 0.6666667 0.0000000 0.0000000 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 3) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s( 4) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s( 4) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 180 deg rotation - cart. axis [1,0,1]
cryst. s(11) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(11) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s(12) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(12) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
6 1 17 T T
6 2 19 T T
6 3 28 T F
6 4 30 T T
6 5 32 T T
6 6 34 T F
6 7 42 T F
6 8 44 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
83.55340 83.55340 118.21172 143.69725 143.69725 163.26559
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
673.92641 673.92642 953.47413 1159.03575 1159.03575 1316.87036
===================================================================
irreducible q point # 4
===================================================================
Symmetries of small group of q: 4
Number of q in the star = 12
List of q in the star:
1 0.666666667 0.000000000 0.666666667
2 0.666666667 0.000000000 -0.666666667
3 -0.666666667 0.000000000 -0.666666667
4 -0.666666667 0.000000000 0.666666667
5 0.000000000 -0.666666667 0.666666667
6 -0.666666667 0.666666667 0.000000000
7 -0.666666667 -0.666666667 0.000000000
8 0.666666667 0.666666667 0.000000000
9 0.666666667 -0.666666667 0.000000000
10 0.000000000 0.666666667 0.666666667
11 0.000000000 0.666666667 -0.666666667
12 0.000000000 -0.666666667 -0.666666667
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
q( 16 ) = ( 0.6666667 0.0000000 0.6666667 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 180 deg rotation - cart. axis [1,0,1]
cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(12) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
1 1 1 T T
1 2 2 T T
1 3 3 T F
1 4 4 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
90.71403 122.53564 122.98840 134.84359 139.27567 154.84777
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
q( 17 ) = ( 0.6666667 0.0000000 -0.6666667 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 180 deg rotation - cart. axis [1,0,1]
cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(12) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
2 1 5 T F
2 2 7 T F
2 3 29 T T
2 4 36 T T
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
90.71403 122.53564 122.98840 134.84359 139.27567 154.84777
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
q( 18 ) = ( -0.6666667 0.0000000 -0.6666667 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 180 deg rotation - cart. axis [1,0,1]
cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(12) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
3 1 6 T T
3 2 10 T F
3 3 12 T T
3 4 25 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
90.71403 122.53564 122.98840 134.84359 139.27567 154.84777
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
q( 19 ) = ( -0.6666667 0.0000000 0.6666667 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 180 deg rotation - cart. axis [1,0,1]
cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(12) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
4 1 8 T F
4 2 11 T F
4 3 20 T T
4 4 35 T T
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
90.71403 122.53564 122.98840 134.84359 139.27567 154.84777
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
q( 20 ) = ( 0.0000000 -0.6666667 0.6666667 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 180 deg rotation - cart. axis [1,0,1]
cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(12) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
5 1 9 T T
5 2 27 T T
5 3 28 T F
5 4 42 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
90.71403 122.53564 122.98840 134.84359 139.27567 154.84777
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
q( 21 ) = ( -0.6666667 0.6666667 0.0000000 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 180 deg rotation - cart. axis [1,0,1]
cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(12) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
6 1 13 T F
6 2 24 T T
6 3 40 T T
6 4 46 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
90.71403 122.53564 122.98840 134.84359 139.27567 154.84777
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
q( 22 ) = ( -0.6666667 -0.6666667 0.0000000 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 180 deg rotation - cart. axis [1,0,1]
cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(12) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
7 1 14 T F
7 2 23 T T
7 3 39 T T
7 4 45 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
90.71403 122.53564 122.98840 134.84359 139.27567 154.84777
0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
q( 23 ) = ( 0.6666667 0.6666667 0.0000000 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 180 deg rotation - cart. axis [1,0,1]
cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(12) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
8 1 15 T F
8 2 21 T T
8 3 38 T T
8 4 47 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
90.71403 122.53564 122.98840 134.84359 139.27567 154.84777
0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
-0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 -0.0000000000
-0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
q( 24 ) = ( 0.6666667 -0.6666667 0.0000000 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 180 deg rotation - cart. axis [1,0,1]
cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(12) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
9 1 16 T F
9 2 22 T T
9 3 26 T T
9 4 48 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
90.71403 122.53564 122.98840 134.84359 139.27567 154.84777
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
q( 25 ) = ( 0.0000000 0.6666667 0.6666667 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 180 deg rotation - cart. axis [1,0,1]
cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(12) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
10 1 17 T T
10 2 30 T T
10 3 33 T F
10 4 43 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
90.71403 122.53564 122.98840 134.84359 139.27567 154.84777
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
q( 26 ) = ( 0.0000000 0.6666667 -0.6666667 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 180 deg rotation - cart. axis [1,0,1]
cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(12) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
11 1 18 T T
11 2 31 T T
11 3 34 T F
11 4 44 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
90.71403 122.53564 122.98840 134.84359 139.27567 154.84777
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
q( 27 ) = ( 0.0000000 -0.6666667 -0.6666667 )
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inv. 180 deg rotation - cart. axis [-1,0,1]
cryst. s( 2) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 2) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 3 180 deg rotation - cart. axis [1,0,1]
cryst. s( 3) = ( -1 0 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,1,0]
cryst. s( 4) = ( 1 0 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 5 90 deg rotation - cart. axis [0,1,0]
cryst. s( 5) = ( 0 1 -1 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s( 5) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 6 180 deg rotation - cart. axis [0,1,0]
cryst. s( 6) = ( -1 0 0 )
( -1 0 1 )
( -1 1 0 )
cart. s( 6) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 7 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 7) = ( 0 -1 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s( 7) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 8 90 deg rotation - cart. axis [0,-1,0]
cryst. s( 8) = ( 0 -1 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s( 8) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 9 120 deg rotation - cart. axis [1,-1,1]
cryst. s( 9) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 9) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 10 180 deg rotation - cart. axis [-1,0,1]
cryst. s(10) = ( 1 0 0 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(10) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 11 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s(11) = ( 0 1 -1 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(11) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 12 inv. 180 deg rotation - cart. axis [1,0,1]
cryst. s(12) = ( 1 0 0 )
( 0 0 1 )
( 0 1 0 )
cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 13 180 deg rotation - cart. axis [0,1,1]
cryst. s(13) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 14 180 deg rotation - cart. axis [0,1,-1]
cryst. s(14) = ( 0 0 -1 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 15 90 deg rotation - cart. axis [-1,0,0]
cryst. s(15) = ( 0 0 1 ) f =( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(15) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 16 90 deg rotation - cart. axis [1,0,0]
cryst. s(16) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(16) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 17 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(17) = ( -1 0 1 )
( -1 1 0 )
( -1 0 0 )
cart. s(17) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 18 120 deg rotation - cart. axis [-1,1,1]
cryst. s(18) = ( 0 1 0 )
( 0 0 1 )
( 1 0 0 )
cart. s(18) = ( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 19 120 deg rotation - cart. axis [1,1,-1]
cryst. s(19) = ( 1 0 -1 )
( 0 0 -1 )
( 0 1 -1 )
cart. s(19) = ( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 20 180 deg rotation - cart. axis [0,0,1]
cryst. s(20) = ( 0 1 -1 )
( 1 0 -1 )
( 0 0 -1 )
cart. s(20) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 21 120 deg rotation - cart. axis [1,1,1]
cryst. s(21) = ( 0 0 -1 )
( 0 1 -1 )
( 1 0 -1 )
cart. s(21) = ( 0.0000000 0.0000000 1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 22 inv. 180 deg rotation - cart. axis [0,1,1]
cryst. s(22) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(22) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 23 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(23) = ( 0 0 1 )
( 1 0 0 )
( 0 1 0 )
cart. s(23) = ( 0.0000000 0.0000000 -1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 24 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(24) = ( 1 -1 0 )
( 0 -1 1 )
( 0 -1 0 )
cart. s(24) = ( 0.0000000 0.0000000 -1.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 25 inversion
cryst. s(25) = ( -1 0 0 ) f =( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 26 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(26) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s(26) = ( 0.0000000 0.0000000 1.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 27 inv. 180 deg rotation - cart. axis [1,1,0]
cryst. s(27) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(27) = ( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 28 90 deg rotation - cart. axis [0,0,-1]
cryst. s(28) = ( 0 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
cart. s(28) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 29 180 deg rotation - cart. axis [1,0,0]
cryst. s(29) = ( 0 -1 1 )
( 0 -1 0 )
( 1 -1 0 )
cart. s(29) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0]
cryst. s(30) = ( 1 0 -1 )
( 0 1 -1 )
( 0 0 -1 )
cart. s(30) = ( 0.0000000 1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1]
cryst. s(31) = ( 0 -1 0 )
( 0 -1 1 )
( 1 -1 0 )
cart. s(31) = ( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 32 inv. 90 deg rotation - cart. axis [0,0,1]
cryst. s(32) = ( -1 0 1 )
( -1 0 0 )
( -1 1 0 )
cart. s(32) = ( 0.0000000 1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 33 90 deg rotation - cart. axis [0,0,1]
cryst. s(33) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
cart. s(33) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
isym = 34 180 deg rotation - cart. axis [1,1,0]
cryst. s(34) = ( 0 -1 0 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
cart. s(34) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 35 inv. 90 deg rotation - cart. axis [0,1,0]
cryst. s(35) = ( 0 -1 1 )
( 1 -1 0 )
( 0 -1 0 )
cart. s(35) = ( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 1.0000000 0.0000000 0.0000000 )
isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0]
cryst. s(36) = ( 0 1 -1 )
( 0 0 -1 )
( 1 0 -1 )
cart. s(36) = ( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( -1.0000000 0.0000000 0.0000000 )
isym = 37 180 deg rotation - cart. axis [1,-1,0]
cryst. s(37) = ( -1 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
cart. s(37) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1]
cryst. s(38) = ( 0 0 1 )
( 0 1 0 )
( 1 0 0 )
cart. s(38) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0]
cryst. s(39) = ( 0 0 -1 )
( 1 0 -1 )
( 0 1 -1 )
cart. s(39) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
( 0.0000000 1.0000000 0.0000000 )
isym = 40 inv. 90 deg rotation - cart. axis [1,0,0]
cryst. s(40) = ( -1 1 0 )
( -1 0 1 )
( -1 0 0 )
cart. s(40) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1]
cryst. s(41) = ( 1 0 -1 ) f =( 0.2500000 )
( 1 -1 0 ) ( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
cart. s(41) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1]
cryst. s(42) = ( 0 -1 0 ) f =( 0.2500000 )
( 0 0 -1 ) ( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
cart. s(42) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 -1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1]
cryst. s(43) = ( -1 0 1 ) f =( 0.2500000 )
( 0 0 1 ) ( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1]
cryst. s(44) = ( 0 1 0 ) f =( 0.2500000 )
( -1 1 0 ) ( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
cart. s(44) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.2500000 )
( 0.0000000 0.0000000 1.0000000 ) ( 0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
isym = 45 inv. 120 deg rotation - cart. axis [1,1,1]
cryst. s(45) = ( 0 0 1 ) f =( 0.2500000 )
( 0 -1 1 ) ( 0.2500000 )
( -1 0 1 ) ( 0.2500000 )
cart. s(45) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1]
cryst. s(46) = ( 1 -1 0 ) f =( 0.2500000 )
( 1 0 0 ) ( 0.2500000 )
( 1 0 -1 ) ( 0.2500000 )
cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1]
cryst. s(47) = ( 0 0 -1 ) f =( 0.2500000 )
( -1 0 0 ) ( 0.2500000 )
( 0 -1 0 ) ( 0.2500000 )
cart. s(47) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( 1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 -1.0000000 0.0000000 ) ( 0.2500000 )
isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1]
cryst. s(48) = ( -1 1 0 ) f =( 0.2500000 )
( 0 1 -1 ) ( 0.2500000 )
( 0 1 0 ) ( 0.2500000 )
cart. s(48) = ( 0.0000000 0.0000000 1.0000000 ) f =( -0.2500000 )
( -1.0000000 0.0000000 0.0000000 ) ( 0.2500000 )
( 0.0000000 1.0000000 0.0000000 ) ( 0.2500000 )
iq, i, isym, nog, symmo
12 1 19 T T
12 2 32 T T
12 3 37 T F
12 4 41 T F
Estimated size of gmap: ngxx = 858
Frequencies of the matrix for the first q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
90.71403 122.53564 122.98840 134.84359 139.27567 154.84777
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
0.0000000000 -0.0000000000
0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
0.0000000000 0.0000000000
-0.0000000000 0.0000000000
Frequencies of the matrix for the current q in the star
731.68278 988.35003 992.00197 1087.62372 1123.37211 1248.97376
Writing epmatq on .epb files
The .epb files have been correctly written
Writing Hamiltonian, Dynamical matrix and EP vertex in Wann rep to file
Reading Hamiltonian, Dynamical matrix and EP vertex in Wann rep from file
Finished reading Wann rep data from file
Using uniform q-mesh: 6 6 6
Size of q point mesh for interpolation: 216
Using uniform k-mesh: 6 6 6
Size of k point mesh for interpolation: 432
Max number of k points per pool: 432
Fermi energy coarse grid = 14.009584 eV
Fermi energy is calculated from the fine k-mesh: Ef = 13.576273 eV
Warning: check if difference with Fermi level fine grid makes sense
===================================================================
ibndmin = 1 ebndmin = -0.074
ibndmax = 4 ebndmax = 1.021
Number of ep-matrix elements per pool : 20736 ~= 162.00 Kb (@ 8 bytes/ DP)
===================================================================
Electron (Imaginary) Self-Energy in the Migdal Approximation
===================================================================
Fermi Surface thickness = 15.000000 eV
Golden Rule strictly enforced with T = 0.025852 eV
Gaussian Broadening: 1.000000 eV, ngauss= 1
DOS = 0.055485 states/spin/eV/Unit Cell at Ef= 13.576273 eV
Average over degenerate eigenstates is performed
WARNING: only the eigenstates within the Fermi window are meaningful
ik = 1 coord.: 0.0000000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -21.5330 eV Re[Sigma]= -64.673181 meV Im[Sigma]= 6.811961 meV Z= 0.993360 lam= 0.006685
E( 2 )= 0.3145 eV Re[Sigma]= 144.079907 meV Im[Sigma]= 42.024890 meV Z= 0.982766 lam= 0.017536
E( 3 )= 0.3145 eV Re[Sigma]= 144.079907 meV Im[Sigma]= 42.024890 meV Z= 0.982766 lam= 0.017536
E( 4 )= 0.3145 eV Re[Sigma]= 144.079907 meV Im[Sigma]= 42.024890 meV Z= 0.982766 lam= 0.017536
-------------------------------------------------------------------
ik = 2 coord.: 0.0000000 0.0000000 0.1666667
-------------------------------------------------------------------
E( 1 )= -20.7958 eV Re[Sigma]= -65.523299 meV Im[Sigma]= 15.299237 meV Z= 0.997611 lam= 0.002394
E( 2 )= -2.5926 eV Re[Sigma]= 91.317495 meV Im[Sigma]= 184.015809 meV Z= 1.046154 lam= -0.044118
E( 3 )= -0.4527 eV Re[Sigma]= 133.606645 meV Im[Sigma]= 76.855142 meV Z= 1.002107 lam= -0.002102
E( 4 )= -0.4527 eV Re[Sigma]= 133.606645 meV Im[Sigma]= 76.855142 meV Z= 1.002107 lam= -0.002102
-------------------------------------------------------------------
ik = 3 coord.: 0.0000000 0.0000000 0.3333333
-------------------------------------------------------------------
E( 1 )= -18.3978 eV Re[Sigma]= -56.338196 meV Im[Sigma]= 40.534012 meV Z= 1.002330 lam= -0.002325
E( 2 )= -9.2191 eV Re[Sigma]= -13.643264 meV Im[Sigma]= 49.627667 meV Z= 0.997292 lam= 0.002716
E( 3 )= -2.0907 eV Re[Sigma]= 96.624117 meV Im[Sigma]= 145.977186 meV Z= 1.021935 lam= -0.021464
E( 4 )= -2.0907 eV Re[Sigma]= 96.624117 meV Im[Sigma]= 145.977186 meV Z= 1.021935 lam= -0.021464
-------------------------------------------------------------------
ik = 4 coord.: 0.0000000 0.0000000 0.5000000
-------------------------------------------------------------------
E( 1 )= -15.6077 eV Re[Sigma]= -40.964900 meV Im[Sigma]= 59.574037 meV Z= 1.004764 lam= -0.004742
E( 2 )= -14.0678 eV Re[Sigma]= -10.055545 meV Im[Sigma]= 62.458173 meV Z= 1.003648 lam= -0.003634
E( 3 )= -2.9614 eV Re[Sigma]= 54.148359 meV Im[Sigma]= 173.018188 meV Z= 1.045793 lam= -0.043788
E( 4 )= -2.9614 eV Re[Sigma]= 54.148359 meV Im[Sigma]= 173.018188 meV Z= 1.045793 lam= -0.043788
-------------------------------------------------------------------
ik = 5 coord.: 0.0000000 0.0000000 0.6666667
-------------------------------------------------------------------
E( 1 )= -18.3978 eV Re[Sigma]= -56.338090 meV Im[Sigma]= 40.534007 meV Z= 1.002330 lam= -0.002325
E( 2 )= -9.2191 eV Re[Sigma]= -13.643342 meV Im[Sigma]= 49.627637 meV Z= 0.997292 lam= 0.002716
E( 3 )= -2.0907 eV Re[Sigma]= 96.624063 meV Im[Sigma]= 145.977469 meV Z= 1.021935 lam= -0.021464
E( 4 )= -2.0907 eV Re[Sigma]= 96.624063 meV Im[Sigma]= 145.977469 meV Z= 1.021935 lam= -0.021464
-------------------------------------------------------------------
ik = 6 coord.: 0.0000000 0.0000000 0.8333333
-------------------------------------------------------------------
E( 1 )= -20.7958 eV Re[Sigma]= -65.523270 meV Im[Sigma]= 15.299304 meV Z= 0.997611 lam= 0.002394
E( 2 )= -2.5926 eV Re[Sigma]= 91.317288 meV Im[Sigma]= 184.016155 meV Z= 1.046154 lam= -0.044118
E( 3 )= -0.4527 eV Re[Sigma]= 133.606627 meV Im[Sigma]= 76.855123 meV Z= 1.002107 lam= -0.002102
E( 4 )= -0.4527 eV Re[Sigma]= 133.606627 meV Im[Sigma]= 76.855123 meV Z= 1.002107 lam= -0.002102
-------------------------------------------------------------------
ik = 7 coord.: 0.0000000 0.1666667 0.0000000
-------------------------------------------------------------------
E( 1 )= -20.7958 eV Re[Sigma]= -65.485237 meV Im[Sigma]= 15.407221 meV Z= 0.997690 lam= 0.002315
E( 2 )= -2.5926 eV Re[Sigma]= 90.770809 meV Im[Sigma]= 187.315137 meV Z= 1.047554 lam= -0.045395
E( 3 )= -0.4527 eV Re[Sigma]= 131.286197 meV Im[Sigma]= 74.632485 meV Z= 1.001742 lam= -0.001739
E( 4 )= -0.4527 eV Re[Sigma]= 131.286197 meV Im[Sigma]= 74.632485 meV Z= 1.001742 lam= -0.001739
-------------------------------------------------------------------
ik = 8 coord.: 0.0000000 0.1666667 0.1666667
-------------------------------------------------------------------
E( 1 )= -20.5714 eV Re[Sigma]= -65.354278 meV Im[Sigma]= 17.272243 meV Z= 0.996894 lam= 0.003115
E( 2 )= -1.7294 eV Re[Sigma]= 116.919039 meV Im[Sigma]= 132.881882 meV Z= 1.010075 lam= -0.009975
E( 3 )= -1.5590 eV Re[Sigma]= 114.246482 meV Im[Sigma]= 113.310090 meV Z= 1.005604 lam= -0.005573
E( 4 )= -1.5590 eV Re[Sigma]= 114.246482 meV Im[Sigma]= 113.310090 meV Z= 1.005604 lam= -0.005573
-------------------------------------------------------------------
ik = 9 coord.: 0.0000000 0.1666667 0.3333333
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.005744 meV Im[Sigma]= 43.009110 meV Z= 1.007519 lam= -0.007463
E( 2 )= -6.9063 eV Re[Sigma]= -10.493175 meV Im[Sigma]= 103.624918 meV Z= 1.018621 lam= -0.018280
E( 3 )= -3.2910 eV Re[Sigma]= 46.957264 meV Im[Sigma]= 163.846516 meV Z= 1.034365 lam= -0.033223
E( 4 )= -2.6027 eV Re[Sigma]= 80.524963 meV Im[Sigma]= 170.824532 meV Z= 1.043891 lam= -0.042045
-------------------------------------------------------------------
ik = 10 coord.: 0.0000000 0.1666667 0.5000000
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.223099 meV Im[Sigma]= 63.286405 meV Z= 1.004601 lam= -0.004580
E( 2 )= -12.4383 eV Re[Sigma]= -11.337030 meV Im[Sigma]= 65.621085 meV Z= 1.008719 lam= -0.008644
E( 3 )= -4.5379 eV Re[Sigma]= 12.104138 meV Im[Sigma]= 135.508715 meV Z= 1.018357 lam= -0.018026
E( 4 )= -3.8929 eV Re[Sigma]= 24.247163 meV Im[Sigma]= 140.528171 meV Z= 1.024754 lam= -0.024156
-------------------------------------------------------------------
ik = 11 coord.: 0.0000000 0.1666667 0.6666667
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.565463 meV Im[Sigma]= 68.248705 meV Z= 1.015118 lam= -0.014892
E( 2 )= -10.7517 eV Re[Sigma]= -7.255652 meV Im[Sigma]= 57.760919 meV Z= 1.005393 lam= -0.005364
E( 3 )= -5.2472 eV Re[Sigma]= 0.487750 meV Im[Sigma]= 121.321180 meV Z= 1.022859 lam= -0.022349
E( 4 )= -2.6593 eV Re[Sigma]= 70.741298 meV Im[Sigma]= 161.648991 meV Z= 1.042872 lam= -0.041110
-------------------------------------------------------------------
ik = 12 coord.: 0.0000000 0.1666667 0.8333333
-------------------------------------------------------------------
E( 1 )= -19.4313 eV Re[Sigma]= -66.084473 meV Im[Sigma]= 34.876945 meV Z= 1.000936 lam= -0.000935
E( 2 )= -5.3692 eV Re[Sigma]= -2.541403 meV Im[Sigma]= 135.933529 meV Z= 1.027848 lam= -0.027094
E( 3 )= -3.4193 eV Re[Sigma]= 47.612055 meV Im[Sigma]= 170.383749 meV Z= 1.033358 lam= -0.032281
E( 4 )= -0.9512 eV Re[Sigma]= 114.503166 meV Im[Sigma]= 85.834511 meV Z= 1.005285 lam= -0.005257
-------------------------------------------------------------------
ik = 13 coord.: 0.0000000 0.3333333 0.0000000
-------------------------------------------------------------------
E( 1 )= -18.3978 eV Re[Sigma]= -56.580092 meV Im[Sigma]= 40.553503 meV Z= 1.002291 lam= -0.002286
E( 2 )= -9.2191 eV Re[Sigma]= -14.127395 meV Im[Sigma]= 49.377696 meV Z= 0.997140 lam= 0.002868
E( 3 )= -2.0907 eV Re[Sigma]= 95.272653 meV Im[Sigma]= 142.849517 meV Z= 1.021382 lam= -0.020935
E( 4 )= -2.0907 eV Re[Sigma]= 95.272653 meV Im[Sigma]= 142.849517 meV Z= 1.021382 lam= -0.020935
-------------------------------------------------------------------
ik = 14 coord.: 0.0000000 0.3333333 0.1666667
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.103985 meV Im[Sigma]= 43.283623 meV Z= 1.007631 lam= -0.007574
E( 2 )= -6.9063 eV Re[Sigma]= -11.692815 meV Im[Sigma]= 102.513101 meV Z= 1.017928 lam= -0.017613
E( 3 )= -3.2910 eV Re[Sigma]= 46.488541 meV Im[Sigma]= 163.653147 meV Z= 1.034583 lam= -0.033427
E( 4 )= -2.6027 eV Re[Sigma]= 80.229725 meV Im[Sigma]= 166.720124 meV Z= 1.042258 lam= -0.040545
-------------------------------------------------------------------
ik = 15 coord.: 0.0000000 0.3333333 0.3333333
-------------------------------------------------------------------
E( 1 )= -17.3646 eV Re[Sigma]= -58.929356 meV Im[Sigma]= 42.127376 meV Z= 0.994716 lam= 0.005312
E( 2 )= -6.7590 eV Re[Sigma]= -15.655776 meV Im[Sigma]= 108.548118 meV Z= 1.011615 lam= -0.011482
E( 3 )= -5.2110 eV Re[Sigma]= 2.860302 meV Im[Sigma]= 106.353525 meV Z= 1.019113 lam= -0.018755
E( 4 )= -5.2110 eV Re[Sigma]= 2.860302 meV Im[Sigma]= 106.353525 meV Z= 1.019113 lam= -0.018755
-------------------------------------------------------------------
ik = 16 coord.: 0.0000000 0.3333333 0.5000000
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.507316 meV Im[Sigma]= 56.053404 meV Z= 1.000150 lam= -0.000150
E( 2 )= -10.2664 eV Re[Sigma]= -12.769401 meV Im[Sigma]= 57.168159 meV Z= 1.000424 lam= -0.000424
E( 3 )= -7.2955 eV Re[Sigma]= -11.406602 meV Im[Sigma]= 84.737519 meV Z= 1.018885 lam= -0.018535
E( 4 )= -5.9070 eV Re[Sigma]= -5.762807 meV Im[Sigma]= 78.310077 meV Z= 1.002730 lam= -0.002723
-------------------------------------------------------------------
ik = 17 coord.: 0.0000000 0.3333333 0.6666667
-------------------------------------------------------------------
E( 1 )= -13.7489 eV Re[Sigma]= -39.525448 meV Im[Sigma]= 60.329011 meV Z= 1.003539 lam= -0.003527
E( 2 )= -10.6632 eV Re[Sigma]= -14.928371 meV Im[Sigma]= 64.847947 meV Z= 1.006733 lam= -0.006688
E( 3 )= -9.4579 eV Re[Sigma]= 2.042278 meV Im[Sigma]= 40.767043 meV Z= 0.996245 lam= 0.003769
E( 4 )= -4.5555 eV Re[Sigma]= 11.675627 meV Im[Sigma]= 121.276712 meV Z= 1.015918 lam= -0.015669
-------------------------------------------------------------------
ik = 18 coord.: 0.0000000 0.3333333 0.8333333
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.636355 meV Im[Sigma]= 68.664213 meV Z= 1.015239 lam= -0.015010
E( 2 )= -10.7517 eV Re[Sigma]= -7.174145 meV Im[Sigma]= 57.646669 meV Z= 1.005261 lam= -0.005233
E( 3 )= -5.2472 eV Re[Sigma]= 1.807833 meV Im[Sigma]= 119.641059 meV Z= 1.022489 lam= -0.021995
E( 4 )= -2.6593 eV Re[Sigma]= 70.840693 meV Im[Sigma]= 161.383699 meV Z= 1.042851 lam= -0.041090
-------------------------------------------------------------------
ik = 19 coord.: 0.0000000 0.5000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -15.6077 eV Re[Sigma]= -40.453792 meV Im[Sigma]= 58.937363 meV Z= 1.004205 lam= -0.004187
E( 2 )= -14.0678 eV Re[Sigma]= -10.779683 meV Im[Sigma]= 63.222727 meV Z= 1.004142 lam= -0.004124
E( 3 )= -2.9614 eV Re[Sigma]= 53.176533 meV Im[Sigma]= 169.695255 meV Z= 1.045157 lam= -0.043206
E( 4 )= -2.9614 eV Re[Sigma]= 53.176533 meV Im[Sigma]= 169.695255 meV Z= 1.045157 lam= -0.043206
-------------------------------------------------------------------
ik = 20 coord.: 0.0000000 0.5000000 0.1666667
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -39.865801 meV Im[Sigma]= 63.144530 meV Z= 1.004350 lam= -0.004331
E( 2 )= -12.4383 eV Re[Sigma]= -11.545361 meV Im[Sigma]= 65.717097 meV Z= 1.008844 lam= -0.008767
E( 3 )= -4.5379 eV Re[Sigma]= 13.060660 meV Im[Sigma]= 133.533095 meV Z= 1.018110 lam= -0.017788
E( 4 )= -3.8929 eV Re[Sigma]= 24.408627 meV Im[Sigma]= 139.504316 meV Z= 1.024600 lam= -0.024010
-------------------------------------------------------------------
ik = 21 coord.: 0.0000000 0.5000000 0.3333333
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.220716 meV Im[Sigma]= 56.067506 meV Z= 1.000168 lam= -0.000168
E( 2 )= -10.2664 eV Re[Sigma]= -12.333133 meV Im[Sigma]= 57.067860 meV Z= 1.000464 lam= -0.000464
E( 3 )= -7.2955 eV Re[Sigma]= -11.005015 meV Im[Sigma]= 83.964822 meV Z= 1.018399 lam= -0.018067
E( 4 )= -5.9070 eV Re[Sigma]= -4.796090 meV Im[Sigma]= 78.112614 meV Z= 1.002530 lam= -0.002523
-------------------------------------------------------------------
ik = 22 coord.: 0.0000000 0.5000000 0.5000000
-------------------------------------------------------------------
E( 1 )= -12.8708 eV Re[Sigma]= -28.997176 meV Im[Sigma]= 63.141577 meV Z= 1.000478 lam= -0.000478
E( 2 )= -11.9934 eV Re[Sigma]= -20.804952 meV Im[Sigma]= 78.314731 meV Z= 1.012449 lam= -0.012296
E( 3 )= -6.9896 eV Re[Sigma]= -4.186793 meV Im[Sigma]= 70.002617 meV Z= 1.014673 lam= -0.014461
E( 4 )= -6.9896 eV Re[Sigma]= -4.186793 meV Im[Sigma]= 70.002617 meV Z= 1.014673 lam= -0.014461
-------------------------------------------------------------------
ik = 23 coord.: 0.0000000 0.5000000 0.6666667
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.220536 meV Im[Sigma]= 56.067615 meV Z= 1.000168 lam= -0.000168
E( 2 )= -10.2664 eV Re[Sigma]= -12.332998 meV Im[Sigma]= 57.067871 meV Z= 1.000464 lam= -0.000464
E( 3 )= -7.2955 eV Re[Sigma]= -11.005302 meV Im[Sigma]= 83.964826 meV Z= 1.018399 lam= -0.018067
E( 4 )= -5.9070 eV Re[Sigma]= -4.796319 meV Im[Sigma]= 78.113092 meV Z= 1.002530 lam= -0.002523
-------------------------------------------------------------------
ik = 24 coord.: 0.0000000 0.5000000 0.8333333
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -39.865680 meV Im[Sigma]= 63.144283 meV Z= 1.004350 lam= -0.004331
E( 2 )= -12.4383 eV Re[Sigma]= -11.545431 meV Im[Sigma]= 65.717379 meV Z= 1.008844 lam= -0.008767
E( 3 )= -4.5379 eV Re[Sigma]= 13.060218 meV Im[Sigma]= 133.533207 meV Z= 1.018110 lam= -0.017788
E( 4 )= -3.8929 eV Re[Sigma]= 24.409067 meV Im[Sigma]= 139.504671 meV Z= 1.024600 lam= -0.024010
-------------------------------------------------------------------
ik = 25 coord.: 0.0000000 0.6666667 0.0000000
-------------------------------------------------------------------
E( 1 )= -18.3978 eV Re[Sigma]= -56.580044 meV Im[Sigma]= 40.553823 meV Z= 1.002291 lam= -0.002286
E( 2 )= -9.2191 eV Re[Sigma]= -14.127590 meV Im[Sigma]= 49.377724 meV Z= 0.997140 lam= 0.002868
E( 3 )= -2.0907 eV Re[Sigma]= 95.272841 meV Im[Sigma]= 142.850464 meV Z= 1.021383 lam= -0.020935
E( 4 )= -2.0907 eV Re[Sigma]= 95.272841 meV Im[Sigma]= 142.850464 meV Z= 1.021383 lam= -0.020935
-------------------------------------------------------------------
ik = 26 coord.: 0.0000000 0.6666667 0.1666667
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.636160 meV Im[Sigma]= 68.664037 meV Z= 1.015239 lam= -0.015010
E( 2 )= -10.7517 eV Re[Sigma]= -7.174229 meV Im[Sigma]= 57.646673 meV Z= 1.005261 lam= -0.005233
E( 3 )= -5.2472 eV Re[Sigma]= 1.808017 meV Im[Sigma]= 119.640888 meV Z= 1.022489 lam= -0.021995
E( 4 )= -2.6593 eV Re[Sigma]= 70.840884 meV Im[Sigma]= 161.384801 meV Z= 1.042851 lam= -0.041091
-------------------------------------------------------------------
ik = 27 coord.: 0.0000000 0.6666667 0.3333333
-------------------------------------------------------------------
E( 1 )= -13.7489 eV Re[Sigma]= -39.525532 meV Im[Sigma]= 60.328955 meV Z= 1.003539 lam= -0.003527
E( 2 )= -10.6632 eV Re[Sigma]= -14.928484 meV Im[Sigma]= 64.848016 meV Z= 1.006733 lam= -0.006688
E( 3 )= -9.4579 eV Re[Sigma]= 2.042380 meV Im[Sigma]= 40.767026 meV Z= 0.996245 lam= 0.003769
E( 4 )= -4.5555 eV Re[Sigma]= 11.675577 meV Im[Sigma]= 121.277017 meV Z= 1.015918 lam= -0.015669
-------------------------------------------------------------------
ik = 28 coord.: 0.0000000 0.6666667 0.5000000
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.507083 meV Im[Sigma]= 56.053479 meV Z= 1.000150 lam= -0.000150
E( 2 )= -10.2664 eV Re[Sigma]= -12.769437 meV Im[Sigma]= 57.168259 meV Z= 1.000424 lam= -0.000424
E( 3 )= -7.2955 eV Re[Sigma]= -11.406749 meV Im[Sigma]= 84.737457 meV Z= 1.018885 lam= -0.018535
E( 4 )= -5.9070 eV Re[Sigma]= -5.763118 meV Im[Sigma]= 78.310335 meV Z= 1.002730 lam= -0.002723
-------------------------------------------------------------------
ik = 29 coord.: 0.0000000 0.6666667 0.6666667
-------------------------------------------------------------------
E( 1 )= -17.3646 eV Re[Sigma]= -58.929231 meV Im[Sigma]= 42.127896 meV Z= 0.994716 lam= 0.005312
E( 2 )= -6.7590 eV Re[Sigma]= -15.655435 meV Im[Sigma]= 108.548003 meV Z= 1.011615 lam= -0.011482
E( 3 )= -5.2110 eV Re[Sigma]= 2.859585 meV Im[Sigma]= 106.354272 meV Z= 1.019113 lam= -0.018755
E( 4 )= -5.2110 eV Re[Sigma]= 2.859585 meV Im[Sigma]= 106.354272 meV Z= 1.019113 lam= -0.018755
-------------------------------------------------------------------
ik = 30 coord.: 0.0000000 0.6666667 0.8333333
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.104086 meV Im[Sigma]= 43.283985 meV Z= 1.007631 lam= -0.007574
E( 2 )= -6.9063 eV Re[Sigma]= -11.693042 meV Im[Sigma]= 102.513381 meV Z= 1.017928 lam= -0.017613
E( 3 )= -3.2910 eV Re[Sigma]= 46.488502 meV Im[Sigma]= 163.655041 meV Z= 1.034584 lam= -0.033428
E( 4 )= -2.6027 eV Re[Sigma]= 80.229448 meV Im[Sigma]= 166.720670 meV Z= 1.042259 lam= -0.040545
-------------------------------------------------------------------
ik = 31 coord.: 0.0000000 0.8333333 0.0000000
-------------------------------------------------------------------
E( 1 )= -20.7958 eV Re[Sigma]= -65.485409 meV Im[Sigma]= 15.407194 meV Z= 0.997690 lam= 0.002315
E( 2 )= -2.5926 eV Re[Sigma]= 90.770739 meV Im[Sigma]= 187.314903 meV Z= 1.047554 lam= -0.045395
E( 3 )= -0.4527 eV Re[Sigma]= 131.286361 meV Im[Sigma]= 74.632800 meV Z= 1.001742 lam= -0.001739
E( 4 )= -0.4527 eV Re[Sigma]= 131.286361 meV Im[Sigma]= 74.632800 meV Z= 1.001742 lam= -0.001739
-------------------------------------------------------------------
ik = 32 coord.: 0.0000000 0.8333333 0.1666667
-------------------------------------------------------------------
E( 1 )= -19.4313 eV Re[Sigma]= -66.084710 meV Im[Sigma]= 34.877010 meV Z= 1.000936 lam= -0.000935
E( 2 )= -5.3692 eV Re[Sigma]= -2.541162 meV Im[Sigma]= 135.933535 meV Z= 1.027848 lam= -0.027094
E( 3 )= -3.4193 eV Re[Sigma]= 47.611906 meV Im[Sigma]= 170.383473 meV Z= 1.033358 lam= -0.032281
E( 4 )= -0.9512 eV Re[Sigma]= 114.503385 meV Im[Sigma]= 85.834891 meV Z= 1.005285 lam= -0.005257
-------------------------------------------------------------------
ik = 33 coord.: 0.0000000 0.8333333 0.3333333
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.565583 meV Im[Sigma]= 68.249012 meV Z= 1.015118 lam= -0.014892
E( 2 )= -10.7517 eV Re[Sigma]= -7.255529 meV Im[Sigma]= 57.760828 meV Z= 1.005393 lam= -0.005364
E( 3 )= -5.2472 eV Re[Sigma]= 0.487660 meV Im[Sigma]= 121.321299 meV Z= 1.022859 lam= -0.022349
E( 4 )= -2.6593 eV Re[Sigma]= 70.741505 meV Im[Sigma]= 161.648584 meV Z= 1.042872 lam= -0.041109
-------------------------------------------------------------------
ik = 34 coord.: 0.0000000 0.8333333 0.5000000
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.223028 meV Im[Sigma]= 63.286190 meV Z= 1.004601 lam= -0.004580
E( 2 )= -12.4383 eV Re[Sigma]= -11.336939 meV Im[Sigma]= 65.621019 meV Z= 1.008719 lam= -0.008644
E( 3 )= -4.5379 eV Re[Sigma]= 12.104013 meV Im[Sigma]= 135.508945 meV Z= 1.018357 lam= -0.018026
E( 4 )= -3.8929 eV Re[Sigma]= 24.247574 meV Im[Sigma]= 140.528213 meV Z= 1.024754 lam= -0.024156
-------------------------------------------------------------------
ik = 35 coord.: 0.0000000 0.8333333 0.6666667
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.005721 meV Im[Sigma]= 43.009441 meV Z= 1.007519 lam= -0.007463
E( 2 )= -6.9063 eV Re[Sigma]= -10.493345 meV Im[Sigma]= 103.624564 meV Z= 1.018621 lam= -0.018280
E( 3 )= -3.2910 eV Re[Sigma]= 46.957290 meV Im[Sigma]= 163.847942 meV Z= 1.034365 lam= -0.033223
E( 4 )= -2.6027 eV Re[Sigma]= 80.525015 meV Im[Sigma]= 170.824636 meV Z= 1.043891 lam= -0.042045
-------------------------------------------------------------------
ik = 36 coord.: 0.0000000 0.8333333 0.8333333
-------------------------------------------------------------------
E( 1 )= -20.5714 eV Re[Sigma]= -65.354415 meV Im[Sigma]= 17.272201 meV Z= 0.996894 lam= 0.003115
E( 2 )= -1.7294 eV Re[Sigma]= 116.918973 meV Im[Sigma]= 132.881789 meV Z= 1.010075 lam= -0.009975
E( 3 )= -1.5590 eV Re[Sigma]= 114.246820 meV Im[Sigma]= 113.310384 meV Z= 1.005604 lam= -0.005573
E( 4 )= -1.5590 eV Re[Sigma]= 114.246820 meV Im[Sigma]= 113.310384 meV Z= 1.005604 lam= -0.005573
-------------------------------------------------------------------
ik = 37 coord.: 0.1666667 0.0000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -20.7958 eV Re[Sigma]= -65.523305 meV Im[Sigma]= 15.299257 meV Z= 0.997611 lam= 0.002394
E( 2 )= -2.5926 eV Re[Sigma]= 91.317443 meV Im[Sigma]= 184.015789 meV Z= 1.046154 lam= -0.044118
E( 3 )= -0.4527 eV Re[Sigma]= 133.606608 meV Im[Sigma]= 76.855140 meV Z= 1.002107 lam= -0.002102
E( 4 )= -0.4527 eV Re[Sigma]= 133.606608 meV Im[Sigma]= 76.855140 meV Z= 1.002107 lam= -0.002102
-------------------------------------------------------------------
ik = 38 coord.: 0.1666667 0.0000000 0.1666667
-------------------------------------------------------------------
E( 1 )= -20.5714 eV Re[Sigma]= -65.354401 meV Im[Sigma]= 17.272199 meV Z= 0.996894 lam= 0.003115
E( 2 )= -1.7294 eV Re[Sigma]= 116.918971 meV Im[Sigma]= 132.882032 meV Z= 1.010075 lam= -0.009975
E( 3 )= -1.5590 eV Re[Sigma]= 114.246405 meV Im[Sigma]= 113.310029 meV Z= 1.005604 lam= -0.005573
E( 4 )= -1.5590 eV Re[Sigma]= 114.246405 meV Im[Sigma]= 113.310029 meV Z= 1.005604 lam= -0.005573
-------------------------------------------------------------------
ik = 39 coord.: 0.1666667 0.0000000 0.3333333
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.014513 meV Im[Sigma]= 43.223866 meV Z= 1.007620 lam= -0.007563
E( 2 )= -6.9063 eV Re[Sigma]= -10.958459 meV Im[Sigma]= 102.189242 meV Z= 1.018021 lam= -0.017702
E( 3 )= -3.2910 eV Re[Sigma]= 47.272417 meV Im[Sigma]= 167.531781 meV Z= 1.035891 lam= -0.034648
E( 4 )= -2.6027 eV Re[Sigma]= 80.473887 meV Im[Sigma]= 167.235646 meV Z= 1.042446 lam= -0.040718
-------------------------------------------------------------------
ik = 40 coord.: 0.1666667 0.0000000 0.5000000
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.205982 meV Im[Sigma]= 62.540393 meV Z= 1.004137 lam= -0.004120
E( 2 )= -12.4383 eV Re[Sigma]= -11.484297 meV Im[Sigma]= 65.234975 meV Z= 1.008652 lam= -0.008578
E( 3 )= -4.5379 eV Re[Sigma]= 12.755652 meV Im[Sigma]= 134.099228 meV Z= 1.018132 lam= -0.017809
E( 4 )= -3.8929 eV Re[Sigma]= 24.529306 meV Im[Sigma]= 142.416403 meV Z= 1.025045 lam= -0.024433
-------------------------------------------------------------------
ik = 41 coord.: 0.1666667 0.0000000 0.6666667
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.622484 meV Im[Sigma]= 68.210821 meV Z= 1.015079 lam= -0.014855
E( 2 )= -10.7517 eV Re[Sigma]= -7.103349 meV Im[Sigma]= 57.853117 meV Z= 1.005376 lam= -0.005347
E( 3 )= -5.2472 eV Re[Sigma]= 1.340616 meV Im[Sigma]= 120.237486 meV Z= 1.022394 lam= -0.021904
E( 4 )= -2.6593 eV Re[Sigma]= 72.264945 meV Im[Sigma]= 163.896449 meV Z= 1.043274 lam= -0.041479
-------------------------------------------------------------------
ik = 42 coord.: 0.1666667 0.0000000 0.8333333
-------------------------------------------------------------------
E( 1 )= -19.4313 eV Re[Sigma]= -66.035120 meV Im[Sigma]= 34.912642 meV Z= 1.000969 lam= -0.000968
E( 2 )= -5.3692 eV Re[Sigma]= -1.131781 meV Im[Sigma]= 135.237179 meV Z= 1.027486 lam= -0.026751
E( 3 )= -3.4193 eV Re[Sigma]= 47.454281 meV Im[Sigma]= 173.778972 meV Z= 1.035223 lam= -0.034025
E( 4 )= -0.9512 eV Re[Sigma]= 116.888393 meV Im[Sigma]= 86.617014 meV Z= 1.004789 lam= -0.004766
-------------------------------------------------------------------
ik = 43 coord.: 0.1666667 0.1666667 0.0000000
-------------------------------------------------------------------
E( 1 )= -20.5714 eV Re[Sigma]= -65.354263 meV Im[Sigma]= 17.272240 meV Z= 0.996894 lam= 0.003115
E( 2 )= -1.7294 eV Re[Sigma]= 116.919005 meV Im[Sigma]= 132.881824 meV Z= 1.010075 lam= -0.009975
E( 3 )= -1.5590 eV Re[Sigma]= 114.246437 meV Im[Sigma]= 113.310134 meV Z= 1.005604 lam= -0.005573
E( 4 )= -1.5590 eV Re[Sigma]= 114.246437 meV Im[Sigma]= 113.310134 meV Z= 1.005604 lam= -0.005573
-------------------------------------------------------------------
ik = 44 coord.: 0.1666667 0.1666667 0.1666667
-------------------------------------------------------------------
E( 1 )= -20.7958 eV Re[Sigma]= -65.523296 meV Im[Sigma]= 15.299313 meV Z= 0.997611 lam= 0.002394
E( 2 )= -2.5926 eV Re[Sigma]= 91.317344 meV Im[Sigma]= 184.016312 meV Z= 1.046154 lam= -0.044118
E( 3 )= -0.4527 eV Re[Sigma]= 133.606473 meV Im[Sigma]= 76.855068 meV Z= 1.002107 lam= -0.002102
E( 4 )= -0.4527 eV Re[Sigma]= 133.606473 meV Im[Sigma]= 76.855068 meV Z= 1.002107 lam= -0.002102
-------------------------------------------------------------------
ik = 45 coord.: 0.1666667 0.1666667 0.3333333
-------------------------------------------------------------------
E( 1 )= -19.4313 eV Re[Sigma]= -66.035129 meV Im[Sigma]= 34.912737 meV Z= 1.000969 lam= -0.000968
E( 2 )= -5.3692 eV Re[Sigma]= -1.131745 meV Im[Sigma]= 135.236987 meV Z= 1.027486 lam= -0.026751
E( 3 )= -3.4193 eV Re[Sigma]= 47.454431 meV Im[Sigma]= 173.778830 meV Z= 1.035223 lam= -0.034025
E( 4 )= -0.9512 eV Re[Sigma]= 116.888202 meV Im[Sigma]= 86.616926 meV Z= 1.004789 lam= -0.004766
-------------------------------------------------------------------
ik = 46 coord.: 0.1666667 0.1666667 0.5000000
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.622374 meV Im[Sigma]= 68.210951 meV Z= 1.015079 lam= -0.014855
E( 2 )= -10.7517 eV Re[Sigma]= -7.103395 meV Im[Sigma]= 57.853199 meV Z= 1.005376 lam= -0.005347
E( 3 )= -5.2472 eV Re[Sigma]= 1.340409 meV Im[Sigma]= 120.237245 meV Z= 1.022394 lam= -0.021904
E( 4 )= -2.6593 eV Re[Sigma]= 72.264899 meV Im[Sigma]= 163.896084 meV Z= 1.043274 lam= -0.041479
-------------------------------------------------------------------
ik = 47 coord.: 0.1666667 0.1666667 0.6666667
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.206007 meV Im[Sigma]= 62.540180 meV Z= 1.004137 lam= -0.004120
E( 2 )= -12.4383 eV Re[Sigma]= -11.484141 meV Im[Sigma]= 65.235102 meV Z= 1.008652 lam= -0.008578
E( 3 )= -4.5379 eV Re[Sigma]= 12.755260 meV Im[Sigma]= 134.099319 meV Z= 1.018132 lam= -0.017809
E( 4 )= -3.8929 eV Re[Sigma]= 24.529398 meV Im[Sigma]= 142.416209 meV Z= 1.025045 lam= -0.024433
-------------------------------------------------------------------
ik = 48 coord.: 0.1666667 0.1666667 0.8333333
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.014484 meV Im[Sigma]= 43.223724 meV Z= 1.007620 lam= -0.007563
E( 2 )= -6.9063 eV Re[Sigma]= -10.958557 meV Im[Sigma]= 102.189148 meV Z= 1.018021 lam= -0.017702
E( 3 )= -3.2910 eV Re[Sigma]= 47.272380 meV Im[Sigma]= 167.532067 meV Z= 1.035892 lam= -0.034648
E( 4 )= -2.6027 eV Re[Sigma]= 80.473886 meV Im[Sigma]= 167.235995 meV Z= 1.042446 lam= -0.040718
-------------------------------------------------------------------
ik = 49 coord.: 0.1666667 0.3333333 0.0000000
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.103958 meV Im[Sigma]= 43.283592 meV Z= 1.007631 lam= -0.007574
E( 2 )= -6.9063 eV Re[Sigma]= -11.692755 meV Im[Sigma]= 102.513154 meV Z= 1.017928 lam= -0.017613
E( 3 )= -3.2910 eV Re[Sigma]= 46.488525 meV Im[Sigma]= 163.653130 meV Z= 1.034583 lam= -0.033427
E( 4 )= -2.6027 eV Re[Sigma]= 80.229708 meV Im[Sigma]= 166.720145 meV Z= 1.042258 lam= -0.040545
-------------------------------------------------------------------
ik = 50 coord.: 0.1666667 0.3333333 0.1666667
-------------------------------------------------------------------
E( 1 )= -19.4313 eV Re[Sigma]= -66.084461 meV Im[Sigma]= 34.876948 meV Z= 1.000936 lam= -0.000935
E( 2 )= -5.3692 eV Re[Sigma]= -2.541289 meV Im[Sigma]= 135.933636 meV Z= 1.027848 lam= -0.027094
E( 3 )= -3.4193 eV Re[Sigma]= 47.612170 meV Im[Sigma]= 170.382984 meV Z= 1.033357 lam= -0.032281
E( 4 )= -0.9512 eV Re[Sigma]= 114.503172 meV Im[Sigma]= 85.834467 meV Z= 1.005285 lam= -0.005257
-------------------------------------------------------------------
ik = 51 coord.: 0.1666667 0.3333333 0.3333333
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.014452 meV Im[Sigma]= 43.223742 meV Z= 1.007620 lam= -0.007563
E( 2 )= -6.9063 eV Re[Sigma]= -10.958544 meV Im[Sigma]= 102.189224 meV Z= 1.018021 lam= -0.017702
E( 3 )= -3.2910 eV Re[Sigma]= 47.272271 meV Im[Sigma]= 167.531627 meV Z= 1.035891 lam= -0.034648
E( 4 )= -2.6027 eV Re[Sigma]= 80.473988 meV Im[Sigma]= 167.235526 meV Z= 1.042446 lam= -0.040718
-------------------------------------------------------------------
ik = 52 coord.: 0.1666667 0.3333333 0.5000000
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.836411 meV Im[Sigma]= 72.505602 meV Z= 1.014393 lam= -0.014189
E( 2 )= -8.9488 eV Re[Sigma]= -18.613559 meV Im[Sigma]= 50.530225 meV Z= 0.996385 lam= 0.003628
E( 3 )= -6.9060 eV Re[Sigma]= -4.879673 meV Im[Sigma]= 87.563736 meV Z= 1.015486 lam= -0.015250
E( 4 )= -3.9563 eV Re[Sigma]= 26.626347 meV Im[Sigma]= 143.147478 meV Z= 1.024969 lam= -0.024361
-------------------------------------------------------------------
ik = 53 coord.: 0.1666667 0.3333333 0.6666667
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.865673 meV Im[Sigma]= 61.529531 meV Z= 1.001109 lam= -0.001108
E( 2 )= -11.9153 eV Re[Sigma]= -4.502001 meV Im[Sigma]= 67.453418 meV Z= 1.010418 lam= -0.010311
E( 3 )= -7.7465 eV Re[Sigma]= -19.378292 meV Im[Sigma]= 76.057656 meV Z= 1.006225 lam= -0.006186
E( 4 )= -5.2565 eV Re[Sigma]= 2.810774 meV Im[Sigma]= 109.183472 meV Z= 1.020288 lam= -0.019885
-------------------------------------------------------------------
ik = 54 coord.: 0.1666667 0.3333333 0.8333333
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.721648 meV Im[Sigma]= 72.550774 meV Z= 1.014355 lam= -0.014152
E( 2 )= -8.9488 eV Re[Sigma]= -18.814387 meV Im[Sigma]= 49.833824 meV Z= 0.996140 lam= 0.003874
E( 3 )= -6.9060 eV Re[Sigma]= -4.489423 meV Im[Sigma]= 87.638604 meV Z= 1.015650 lam= -0.015409
E( 4 )= -3.9563 eV Re[Sigma]= 26.725244 meV Im[Sigma]= 142.114790 meV Z= 1.024787 lam= -0.024187
-------------------------------------------------------------------
ik = 55 coord.: 0.1666667 0.5000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -39.865850 meV Im[Sigma]= 63.144551 meV Z= 1.004350 lam= -0.004331
E( 2 )= -12.4383 eV Re[Sigma]= -11.545252 meV Im[Sigma]= 65.717203 meV Z= 1.008844 lam= -0.008767
E( 3 )= -4.5379 eV Re[Sigma]= 13.060526 meV Im[Sigma]= 133.533106 meV Z= 1.018110 lam= -0.017788
E( 4 )= -3.8929 eV Re[Sigma]= 24.408599 meV Im[Sigma]= 139.504173 meV Z= 1.024600 lam= -0.024010
-------------------------------------------------------------------
ik = 56 coord.: 0.1666667 0.5000000 0.1666667
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.636287 meV Im[Sigma]= 68.664277 meV Z= 1.015239 lam= -0.015010
E( 2 )= -10.7517 eV Re[Sigma]= -7.174225 meV Im[Sigma]= 57.646631 meV Z= 1.005261 lam= -0.005233
E( 3 )= -5.2472 eV Re[Sigma]= 1.807915 meV Im[Sigma]= 119.641088 meV Z= 1.022489 lam= -0.021995
E( 4 )= -2.6593 eV Re[Sigma]= 70.840681 meV Im[Sigma]= 161.383741 meV Z= 1.042851 lam= -0.041090
-------------------------------------------------------------------
ik = 57 coord.: 0.1666667 0.5000000 0.3333333
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.721613 meV Im[Sigma]= 72.550687 meV Z= 1.014355 lam= -0.014152
E( 2 )= -8.9488 eV Re[Sigma]= -18.814498 meV Im[Sigma]= 49.833754 meV Z= 0.996140 lam= 0.003874
E( 3 )= -6.9060 eV Re[Sigma]= -4.489446 meV Im[Sigma]= 87.638523 meV Z= 1.015650 lam= -0.015409
E( 4 )= -3.9563 eV Re[Sigma]= 26.725505 meV Im[Sigma]= 142.114356 meV Z= 1.024786 lam= -0.024187
-------------------------------------------------------------------
ik = 58 coord.: 0.1666667 0.5000000 0.5000000
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.305789 meV Im[Sigma]= 56.076428 meV Z= 1.000191 lam= -0.000191
E( 2 )= -10.2664 eV Re[Sigma]= -12.714437 meV Im[Sigma]= 56.833143 meV Z= 1.000355 lam= -0.000355
E( 3 )= -7.2955 eV Re[Sigma]= -10.546338 meV Im[Sigma]= 82.756739 meV Z= 1.018010 lam= -0.017692
E( 4 )= -5.9070 eV Re[Sigma]= -5.241392 meV Im[Sigma]= 80.025708 meV Z= 1.002837 lam= -0.002829
-------------------------------------------------------------------
ik = 59 coord.: 0.1666667 0.5000000 0.6666667
-------------------------------------------------------------------
E( 1 )= -12.0052 eV Re[Sigma]= -24.871122 meV Im[Sigma]= 79.955555 meV Z= 1.015946 lam= -0.015696
E( 2 )= -11.7636 eV Re[Sigma]= -23.492434 meV Im[Sigma]= 75.575098 meV Z= 1.006779 lam= -0.006733
E( 3 )= -8.4117 eV Re[Sigma]= -8.339576 meV Im[Sigma]= 41.487161 meV Z= 0.992729 lam= 0.007325
E( 4 )= -7.0563 eV Re[Sigma]= -3.462720 meV Im[Sigma]= 78.067909 meV Z= 1.016948 lam= -0.016665
-------------------------------------------------------------------
ik = 60 coord.: 0.1666667 0.5000000 0.8333333
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.541271 meV Im[Sigma]= 61.500590 meV Z= 1.001087 lam= -0.001085
E( 2 )= -11.9153 eV Re[Sigma]= -4.455115 meV Im[Sigma]= 66.906168 meV Z= 1.010113 lam= -0.010012
E( 3 )= -7.7465 eV Re[Sigma]= -18.849647 meV Im[Sigma]= 76.189834 meV Z= 1.006297 lam= -0.006257
E( 4 )= -5.2565 eV Re[Sigma]= 3.263671 meV Im[Sigma]= 108.409780 meV Z= 1.020209 lam= -0.019809
-------------------------------------------------------------------
ik = 61 coord.: 0.1666667 0.6666667 0.0000000
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.636240 meV Im[Sigma]= 68.664202 meV Z= 1.015239 lam= -0.015010
E( 2 )= -10.7517 eV Re[Sigma]= -7.174318 meV Im[Sigma]= 57.646658 meV Z= 1.005261 lam= -0.005233
E( 3 )= -5.2472 eV Re[Sigma]= 1.808067 meV Im[Sigma]= 119.641340 meV Z= 1.022489 lam= -0.021995
E( 4 )= -2.6593 eV Re[Sigma]= 70.840681 meV Im[Sigma]= 161.384770 meV Z= 1.042852 lam= -0.041091
-------------------------------------------------------------------
ik = 62 coord.: 0.1666667 0.6666667 0.1666667
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -39.865779 meV Im[Sigma]= 63.144115 meV Z= 1.004350 lam= -0.004331
E( 2 )= -12.4383 eV Re[Sigma]= -11.545298 meV Im[Sigma]= 65.717421 meV Z= 1.008844 lam= -0.008767
E( 3 )= -4.5379 eV Re[Sigma]= 13.060132 meV Im[Sigma]= 133.533415 meV Z= 1.018110 lam= -0.017788
E( 4 )= -3.8929 eV Re[Sigma]= 24.408810 meV Im[Sigma]= 139.504214 meV Z= 1.024600 lam= -0.024010
-------------------------------------------------------------------
ik = 63 coord.: 0.1666667 0.6666667 0.3333333
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.541352 meV Im[Sigma]= 61.500483 meV Z= 1.001087 lam= -0.001085
E( 2 )= -11.9153 eV Re[Sigma]= -4.455146 meV Im[Sigma]= 66.906117 meV Z= 1.010113 lam= -0.010012
E( 3 )= -7.7465 eV Re[Sigma]= -18.849471 meV Im[Sigma]= 76.189665 meV Z= 1.006297 lam= -0.006257
E( 4 )= -5.2565 eV Re[Sigma]= 3.263724 meV Im[Sigma]= 108.409756 meV Z= 1.020209 lam= -0.019809
-------------------------------------------------------------------
ik = 64 coord.: 0.1666667 0.6666667 0.5000000
-------------------------------------------------------------------
E( 1 )= -12.0052 eV Re[Sigma]= -24.871206 meV Im[Sigma]= 79.955869 meV Z= 1.015947 lam= -0.015696
E( 2 )= -11.7636 eV Re[Sigma]= -23.492445 meV Im[Sigma]= 75.575062 meV Z= 1.006779 lam= -0.006733
E( 3 )= -8.4117 eV Re[Sigma]= -8.339492 meV Im[Sigma]= 41.486717 meV Z= 0.992729 lam= 0.007325
E( 4 )= -7.0563 eV Re[Sigma]= -3.462731 meV Im[Sigma]= 78.068544 meV Z= 1.016948 lam= -0.016666
-------------------------------------------------------------------
ik = 65 coord.: 0.1666667 0.6666667 0.6666667
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.305580 meV Im[Sigma]= 56.076447 meV Z= 1.000191 lam= -0.000191
E( 2 )= -10.2664 eV Re[Sigma]= -12.714277 meV Im[Sigma]= 56.833142 meV Z= 1.000355 lam= -0.000355
E( 3 )= -7.2955 eV Re[Sigma]= -10.546432 meV Im[Sigma]= 82.756459 meV Z= 1.018010 lam= -0.017692
E( 4 )= -5.9070 eV Re[Sigma]= -5.241558 meV Im[Sigma]= 80.026289 meV Z= 1.002837 lam= -0.002829
-------------------------------------------------------------------
ik = 66 coord.: 0.1666667 0.6666667 0.8333333
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.721512 meV Im[Sigma]= 72.551028 meV Z= 1.014355 lam= -0.014152
E( 2 )= -8.9488 eV Re[Sigma]= -18.814427 meV Im[Sigma]= 49.833845 meV Z= 0.996140 lam= 0.003874
E( 3 )= -6.9060 eV Re[Sigma]= -4.489777 meV Im[Sigma]= 87.638639 meV Z= 1.015650 lam= -0.015409
E( 4 )= -3.9563 eV Re[Sigma]= 26.725157 meV Im[Sigma]= 142.114434 meV Z= 1.024786 lam= -0.024187
-------------------------------------------------------------------
ik = 67 coord.: 0.1666667 0.8333333 0.0000000
-------------------------------------------------------------------
E( 1 )= -19.4313 eV Re[Sigma]= -66.084687 meV Im[Sigma]= 34.877077 meV Z= 1.000936 lam= -0.000935
E( 2 )= -5.3692 eV Re[Sigma]= -2.541509 meV Im[Sigma]= 135.933697 meV Z= 1.027848 lam= -0.027094
E( 3 )= -3.4193 eV Re[Sigma]= 47.612120 meV Im[Sigma]= 170.382938 meV Z= 1.033357 lam= -0.032281
E( 4 )= -0.9512 eV Re[Sigma]= 114.503233 meV Im[Sigma]= 85.835124 meV Z= 1.005285 lam= -0.005257
-------------------------------------------------------------------
ik = 68 coord.: 0.1666667 0.8333333 0.1666667
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.104103 meV Im[Sigma]= 43.283602 meV Z= 1.007631 lam= -0.007574
E( 2 )= -6.9063 eV Re[Sigma]= -11.692814 meV Im[Sigma]= 102.513248 meV Z= 1.017928 lam= -0.017613
E( 3 )= -3.2910 eV Re[Sigma]= 46.488476 meV Im[Sigma]= 163.653190 meV Z= 1.034583 lam= -0.033427
E( 4 )= -2.6027 eV Re[Sigma]= 80.229596 meV Im[Sigma]= 166.720721 meV Z= 1.042259 lam= -0.040545
-------------------------------------------------------------------
ik = 69 coord.: 0.1666667 0.8333333 0.3333333
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.721665 meV Im[Sigma]= 72.550793 meV Z= 1.014355 lam= -0.014152
E( 2 )= -8.9488 eV Re[Sigma]= -18.814454 meV Im[Sigma]= 49.833819 meV Z= 0.996140 lam= 0.003874
E( 3 )= -6.9060 eV Re[Sigma]= -4.489436 meV Im[Sigma]= 87.638712 meV Z= 1.015650 lam= -0.015409
E( 4 )= -3.9563 eV Re[Sigma]= 26.725317 meV Im[Sigma]= 142.114517 meV Z= 1.024786 lam= -0.024187
-------------------------------------------------------------------
ik = 70 coord.: 0.1666667 0.8333333 0.5000000
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.865622 meV Im[Sigma]= 61.529626 meV Z= 1.001109 lam= -0.001108
E( 2 )= -11.9153 eV Re[Sigma]= -4.501995 meV Im[Sigma]= 67.453266 meV Z= 1.010418 lam= -0.010311
E( 3 )= -7.7465 eV Re[Sigma]= -19.378372 meV Im[Sigma]= 76.057704 meV Z= 1.006225 lam= -0.006186
E( 4 )= -5.2565 eV Re[Sigma]= 2.810887 meV Im[Sigma]= 109.183888 meV Z= 1.020288 lam= -0.019885
-------------------------------------------------------------------
ik = 71 coord.: 0.1666667 0.8333333 0.6666667
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.836345 meV Im[Sigma]= 72.505966 meV Z= 1.014393 lam= -0.014189
E( 2 )= -8.9488 eV Re[Sigma]= -18.613483 meV Im[Sigma]= 50.530176 meV Z= 0.996385 lam= 0.003628
E( 3 )= -6.9060 eV Re[Sigma]= -4.879811 meV Im[Sigma]= 87.563449 meV Z= 1.015486 lam= -0.015250
E( 4 )= -3.9563 eV Re[Sigma]= 26.626299 meV Im[Sigma]= 143.148317 meV Z= 1.024969 lam= -0.024361
-------------------------------------------------------------------
ik = 72 coord.: 0.1666667 0.8333333 0.8333333
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.014516 meV Im[Sigma]= 43.224165 meV Z= 1.007620 lam= -0.007563
E( 2 )= -6.9063 eV Re[Sigma]= -10.958403 meV Im[Sigma]= 102.189119 meV Z= 1.018021 lam= -0.017702
E( 3 )= -3.2910 eV Re[Sigma]= 47.272322 meV Im[Sigma]= 167.532529 meV Z= 1.035892 lam= -0.034648
E( 4 )= -2.6027 eV Re[Sigma]= 80.473991 meV Im[Sigma]= 167.236340 meV Z= 1.042446 lam= -0.040718
-------------------------------------------------------------------
ik = 73 coord.: 0.3333333 0.0000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -18.3978 eV Re[Sigma]= -56.338196 meV Im[Sigma]= 40.534012 meV Z= 1.002330 lam= -0.002325
E( 2 )= -9.2191 eV Re[Sigma]= -13.643266 meV Im[Sigma]= 49.627667 meV Z= 0.997292 lam= 0.002716
E( 3 )= -2.0907 eV Re[Sigma]= 96.624110 meV Im[Sigma]= 145.977168 meV Z= 1.021935 lam= -0.021464
E( 4 )= -2.0907 eV Re[Sigma]= 96.624110 meV Im[Sigma]= 145.977168 meV Z= 1.021935 lam= -0.021464
-------------------------------------------------------------------
ik = 74 coord.: 0.3333333 0.0000000 0.1666667
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.014501 meV Im[Sigma]= 43.223890 meV Z= 1.007620 lam= -0.007563
E( 2 )= -6.9063 eV Re[Sigma]= -10.958494 meV Im[Sigma]= 102.189306 meV Z= 1.018021 lam= -0.017702
E( 3 )= -3.2910 eV Re[Sigma]= 47.272384 meV Im[Sigma]= 167.531655 meV Z= 1.035891 lam= -0.034648
E( 4 )= -2.6027 eV Re[Sigma]= 80.473850 meV Im[Sigma]= 167.235726 meV Z= 1.042446 lam= -0.040718
-------------------------------------------------------------------
ik = 75 coord.: 0.3333333 0.0000000 0.3333333
-------------------------------------------------------------------
E( 1 )= -17.3646 eV Re[Sigma]= -58.929371 meV Im[Sigma]= 42.127432 meV Z= 0.994716 lam= 0.005312
E( 2 )= -6.7590 eV Re[Sigma]= -15.655827 meV Im[Sigma]= 108.548023 meV Z= 1.011615 lam= -0.011482
E( 3 )= -5.2110 eV Re[Sigma]= 2.860348 meV Im[Sigma]= 106.353445 meV Z= 1.019113 lam= -0.018755
E( 4 )= -5.2110 eV Re[Sigma]= 2.860348 meV Im[Sigma]= 106.353445 meV Z= 1.019113 lam= -0.018755
-------------------------------------------------------------------
ik = 76 coord.: 0.3333333 0.0000000 0.5000000
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.305752 meV Im[Sigma]= 56.076487 meV Z= 1.000191 lam= -0.000191
E( 2 )= -10.2664 eV Re[Sigma]= -12.714353 meV Im[Sigma]= 56.833119 meV Z= 1.000355 lam= -0.000355
E( 3 )= -7.2955 eV Re[Sigma]= -10.546328 meV Im[Sigma]= 82.756680 meV Z= 1.018010 lam= -0.017692
E( 4 )= -5.9070 eV Re[Sigma]= -5.241455 meV Im[Sigma]= 80.026272 meV Z= 1.002837 lam= -0.002829
-------------------------------------------------------------------
ik = 77 coord.: 0.3333333 0.0000000 0.6666667
-------------------------------------------------------------------
E( 1 )= -13.7489 eV Re[Sigma]= -39.580713 meV Im[Sigma]= 60.622254 meV Z= 1.003811 lam= -0.003796
E( 2 )= -10.6632 eV Re[Sigma]= -15.301440 meV Im[Sigma]= 65.094451 meV Z= 1.006752 lam= -0.006706
E( 3 )= -9.4579 eV Re[Sigma]= 2.604429 meV Im[Sigma]= 39.545526 meV Z= 0.995880 lam= 0.004137
E( 4 )= -4.5555 eV Re[Sigma]= 12.355959 meV Im[Sigma]= 124.565119 meV Z= 1.016622 lam= -0.016350
-------------------------------------------------------------------
ik = 78 coord.: 0.3333333 0.0000000 0.8333333
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.622534 meV Im[Sigma]= 68.210957 meV Z= 1.015079 lam= -0.014855
E( 2 )= -10.7517 eV Re[Sigma]= -7.103374 meV Im[Sigma]= 57.853097 meV Z= 1.005376 lam= -0.005347
E( 3 )= -5.2472 eV Re[Sigma]= 1.340404 meV Im[Sigma]= 120.237258 meV Z= 1.022394 lam= -0.021904
E( 4 )= -2.6593 eV Re[Sigma]= 72.264980 meV Im[Sigma]= 163.896209 meV Z= 1.043274 lam= -0.041479
-------------------------------------------------------------------
ik = 79 coord.: 0.3333333 0.1666667 0.0000000
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.005728 meV Im[Sigma]= 43.009067 meV Z= 1.007519 lam= -0.007463
E( 2 )= -6.9063 eV Re[Sigma]= -10.493207 meV Im[Sigma]= 103.624950 meV Z= 1.018621 lam= -0.018280
E( 3 )= -3.2910 eV Re[Sigma]= 46.957292 meV Im[Sigma]= 163.846656 meV Z= 1.034365 lam= -0.033223
E( 4 )= -2.6027 eV Re[Sigma]= 80.524873 meV Im[Sigma]= 170.824494 meV Z= 1.043891 lam= -0.042045
-------------------------------------------------------------------
ik = 80 coord.: 0.3333333 0.1666667 0.1666667
-------------------------------------------------------------------
E( 1 )= -19.4313 eV Re[Sigma]= -66.035137 meV Im[Sigma]= 34.912742 meV Z= 1.000969 lam= -0.000969
E( 2 )= -5.3692 eV Re[Sigma]= -1.131741 meV Im[Sigma]= 135.237050 meV Z= 1.027486 lam= -0.026751
E( 3 )= -3.4193 eV Re[Sigma]= 47.454415 meV Im[Sigma]= 173.778920 meV Z= 1.035223 lam= -0.034025
E( 4 )= -0.9512 eV Re[Sigma]= 116.888126 meV Im[Sigma]= 86.616956 meV Z= 1.004789 lam= -0.004766
-------------------------------------------------------------------
ik = 81 coord.: 0.3333333 0.1666667 0.3333333
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.005691 meV Im[Sigma]= 43.009314 meV Z= 1.007519 lam= -0.007463
E( 2 )= -6.9063 eV Re[Sigma]= -10.493323 meV Im[Sigma]= 103.624642 meV Z= 1.018621 lam= -0.018280
E( 3 )= -3.2910 eV Re[Sigma]= 46.957140 meV Im[Sigma]= 163.846289 meV Z= 1.034365 lam= -0.033223
E( 4 )= -2.6027 eV Re[Sigma]= 80.525079 meV Im[Sigma]= 170.824387 meV Z= 1.043891 lam= -0.042045
-------------------------------------------------------------------
ik = 82 coord.: 0.3333333 0.1666667 0.5000000
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.836337 meV Im[Sigma]= 72.505695 meV Z= 1.014393 lam= -0.014189
E( 2 )= -8.9488 eV Re[Sigma]= -18.613595 meV Im[Sigma]= 50.530113 meV Z= 0.996385 lam= 0.003628
E( 3 )= -6.9060 eV Re[Sigma]= -4.879710 meV Im[Sigma]= 87.563723 meV Z= 1.015486 lam= -0.015250
E( 4 )= -3.9563 eV Re[Sigma]= 26.626338 meV Im[Sigma]= 143.147551 meV Z= 1.024969 lam= -0.024361
-------------------------------------------------------------------
ik = 83 coord.: 0.3333333 0.1666667 0.6666667
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.809428 meV Im[Sigma]= 61.804439 meV Z= 1.001409 lam= -0.001407
E( 2 )= -11.9153 eV Re[Sigma]= -4.747737 meV Im[Sigma]= 66.399461 meV Z= 1.009667 lam= -0.009575
E( 3 )= -7.7465 eV Re[Sigma]= -18.527474 meV Im[Sigma]= 76.767844 meV Z= 1.006441 lam= -0.006400
E( 4 )= -5.2565 eV Re[Sigma]= 1.744003 meV Im[Sigma]= 111.083126 meV Z= 1.020936 lam= -0.020507
-------------------------------------------------------------------
ik = 84 coord.: 0.3333333 0.1666667 0.8333333
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.836541 meV Im[Sigma]= 72.505679 meV Z= 1.014393 lam= -0.014189
E( 2 )= -8.9488 eV Re[Sigma]= -18.613545 meV Im[Sigma]= 50.530198 meV Z= 0.996385 lam= 0.003628
E( 3 )= -6.9060 eV Re[Sigma]= -4.879755 meV Im[Sigma]= 87.563840 meV Z= 1.015487 lam= -0.015250
E( 4 )= -3.9563 eV Re[Sigma]= 26.626352 meV Im[Sigma]= 143.147678 meV Z= 1.024969 lam= -0.024361
-------------------------------------------------------------------
ik = 85 coord.: 0.3333333 0.3333333 0.0000000
-------------------------------------------------------------------
E( 1 )= -17.3646 eV Re[Sigma]= -58.929359 meV Im[Sigma]= 42.127376 meV Z= 0.994716 lam= 0.005312
E( 2 )= -6.7590 eV Re[Sigma]= -15.655776 meV Im[Sigma]= 108.548117 meV Z= 1.011615 lam= -0.011482
E( 3 )= -5.2110 eV Re[Sigma]= 2.860303 meV Im[Sigma]= 106.353517 meV Z= 1.019113 lam= -0.018755
E( 4 )= -5.2110 eV Re[Sigma]= 2.860303 meV Im[Sigma]= 106.353517 meV Z= 1.019113 lam= -0.018755
-------------------------------------------------------------------
ik = 86 coord.: 0.3333333 0.3333333 0.1666667
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.014470 meV Im[Sigma]= 43.223743 meV Z= 1.007620 lam= -0.007563
E( 2 )= -6.9063 eV Re[Sigma]= -10.958516 meV Im[Sigma]= 102.189222 meV Z= 1.018021 lam= -0.017702
E( 3 )= -3.2910 eV Re[Sigma]= 47.272304 meV Im[Sigma]= 167.531643 meV Z= 1.035891 lam= -0.034648
E( 4 )= -2.6027 eV Re[Sigma]= 80.473968 meV Im[Sigma]= 167.235529 meV Z= 1.042446 lam= -0.040718
-------------------------------------------------------------------
ik = 87 coord.: 0.3333333 0.3333333 0.3333333
-------------------------------------------------------------------
E( 1 )= -18.3978 eV Re[Sigma]= -56.338075 meV Im[Sigma]= 40.534063 meV Z= 1.002330 lam= -0.002325
E( 2 )= -9.2191 eV Re[Sigma]= -13.643323 meV Im[Sigma]= 49.627666 meV Z= 0.997292 lam= 0.002716
E( 3 )= -2.0907 eV Re[Sigma]= 96.624120 meV Im[Sigma]= 145.977014 meV Z= 1.021935 lam= -0.021464
E( 4 )= -2.0907 eV Re[Sigma]= 96.624120 meV Im[Sigma]= 145.977014 meV Z= 1.021935 lam= -0.021464
-------------------------------------------------------------------
ik = 88 coord.: 0.3333333 0.3333333 0.5000000
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.622368 meV Im[Sigma]= 68.210712 meV Z= 1.015079 lam= -0.014855
E( 2 )= -10.7517 eV Re[Sigma]= -7.103465 meV Im[Sigma]= 57.853165 meV Z= 1.005376 lam= -0.005347
E( 3 )= -5.2472 eV Re[Sigma]= 1.340451 meV Im[Sigma]= 120.237514 meV Z= 1.022394 lam= -0.021904
E( 4 )= -2.6593 eV Re[Sigma]= 72.265013 meV Im[Sigma]= 163.896128 meV Z= 1.043274 lam= -0.041479
-------------------------------------------------------------------
ik = 89 coord.: 0.3333333 0.3333333 0.6666667
-------------------------------------------------------------------
E( 1 )= -13.7489 eV Re[Sigma]= -39.580694 meV Im[Sigma]= 60.622273 meV Z= 1.003811 lam= -0.003796
E( 2 )= -10.6632 eV Re[Sigma]= -15.301540 meV Im[Sigma]= 65.094462 meV Z= 1.006752 lam= -0.006706
E( 3 )= -9.4579 eV Re[Sigma]= 2.604506 meV Im[Sigma]= 39.545535 meV Z= 0.995880 lam= 0.004137
E( 4 )= -4.5555 eV Re[Sigma]= 12.355931 meV Im[Sigma]= 124.565020 meV Z= 1.016622 lam= -0.016350
-------------------------------------------------------------------
ik = 90 coord.: 0.3333333 0.3333333 0.8333333
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.305850 meV Im[Sigma]= 56.076441 meV Z= 1.000191 lam= -0.000191
E( 2 )= -10.2664 eV Re[Sigma]= -12.714461 meV Im[Sigma]= 56.833161 meV Z= 1.000355 lam= -0.000355
E( 3 )= -7.2955 eV Re[Sigma]= -10.546366 meV Im[Sigma]= 82.756673 meV Z= 1.018010 lam= -0.017692
E( 4 )= -5.9070 eV Re[Sigma]= -5.241423 meV Im[Sigma]= 80.026179 meV Z= 1.002837 lam= -0.002829
-------------------------------------------------------------------
ik = 91 coord.: 0.3333333 0.5000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.220766 meV Im[Sigma]= 56.067521 meV Z= 1.000168 lam= -0.000168
E( 2 )= -10.2664 eV Re[Sigma]= -12.333182 meV Im[Sigma]= 57.067883 meV Z= 1.000464 lam= -0.000464
E( 3 )= -7.2955 eV Re[Sigma]= -11.005112 meV Im[Sigma]= 83.964603 meV Z= 1.018399 lam= -0.018067
E( 4 )= -5.9070 eV Re[Sigma]= -4.796098 meV Im[Sigma]= 78.112609 meV Z= 1.002530 lam= -0.002523
-------------------------------------------------------------------
ik = 92 coord.: 0.3333333 0.5000000 0.1666667
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.721655 meV Im[Sigma]= 72.550738 meV Z= 1.014355 lam= -0.014152
E( 2 )= -8.9488 eV Re[Sigma]= -18.814437 meV Im[Sigma]= 49.833839 meV Z= 0.996140 lam= 0.003874
E( 3 )= -6.9060 eV Re[Sigma]= -4.489419 meV Im[Sigma]= 87.638652 meV Z= 1.015650 lam= -0.015409
E( 4 )= -3.9563 eV Re[Sigma]= 26.725360 meV Im[Sigma]= 142.114369 meV Z= 1.024786 lam= -0.024187
-------------------------------------------------------------------
ik = 93 coord.: 0.3333333 0.5000000 0.3333333
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.565477 meV Im[Sigma]= 68.248575 meV Z= 1.015117 lam= -0.014892
E( 2 )= -10.7517 eV Re[Sigma]= -7.255721 meV Im[Sigma]= 57.760871 meV Z= 1.005393 lam= -0.005364
E( 3 )= -5.2472 eV Re[Sigma]= 0.487755 meV Im[Sigma]= 121.321423 meV Z= 1.022860 lam= -0.022349
E( 4 )= -2.6593 eV Re[Sigma]= 70.741517 meV Im[Sigma]= 161.648592 meV Z= 1.042872 lam= -0.041109
-------------------------------------------------------------------
ik = 94 coord.: 0.3333333 0.5000000 0.5000000
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.206075 meV Im[Sigma]= 62.540027 meV Z= 1.004137 lam= -0.004120
E( 2 )= -12.4383 eV Re[Sigma]= -11.484291 meV Im[Sigma]= 65.235134 meV Z= 1.008652 lam= -0.008578
E( 3 )= -4.5379 eV Re[Sigma]= 12.755654 meV Im[Sigma]= 134.099469 meV Z= 1.018132 lam= -0.017809
E( 4 )= -3.8929 eV Re[Sigma]= 24.529218 meV Im[Sigma]= 142.416588 meV Z= 1.025045 lam= -0.024433
-------------------------------------------------------------------
ik = 95 coord.: 0.3333333 0.5000000 0.6666667
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.809520 meV Im[Sigma]= 61.804542 meV Z= 1.001409 lam= -0.001407
E( 2 )= -11.9153 eV Re[Sigma]= -4.747700 meV Im[Sigma]= 66.399493 meV Z= 1.009668 lam= -0.009575
E( 3 )= -7.7465 eV Re[Sigma]= -18.527459 meV Im[Sigma]= 76.767912 meV Z= 1.006441 lam= -0.006400
E( 4 )= -5.2565 eV Re[Sigma]= 1.744071 meV Im[Sigma]= 111.083125 meV Z= 1.020936 lam= -0.020507
-------------------------------------------------------------------
ik = 96 coord.: 0.3333333 0.5000000 0.8333333
-------------------------------------------------------------------
E( 1 )= -12.0052 eV Re[Sigma]= -24.871288 meV Im[Sigma]= 79.955813 meV Z= 1.015947 lam= -0.015696
E( 2 )= -11.7636 eV Re[Sigma]= -23.492507 meV Im[Sigma]= 75.575126 meV Z= 1.006779 lam= -0.006733
E( 3 )= -8.4117 eV Re[Sigma]= -8.339547 meV Im[Sigma]= 41.486887 meV Z= 0.992729 lam= 0.007325
E( 4 )= -7.0563 eV Re[Sigma]= -3.462774 meV Im[Sigma]= 78.068187 meV Z= 1.016948 lam= -0.016665
-------------------------------------------------------------------
ik = 97 coord.: 0.3333333 0.6666667 0.0000000
-------------------------------------------------------------------
E( 1 )= -13.7489 eV Re[Sigma]= -39.525420 meV Im[Sigma]= 60.328984 meV Z= 1.003539 lam= -0.003527
E( 2 )= -10.6632 eV Re[Sigma]= -14.928541 meV Im[Sigma]= 64.847896 meV Z= 1.006733 lam= -0.006688
E( 3 )= -9.4579 eV Re[Sigma]= 2.042370 meV Im[Sigma]= 40.767014 meV Z= 0.996245 lam= 0.003769
E( 4 )= -4.5555 eV Re[Sigma]= 11.675640 meV Im[Sigma]= 121.276765 meV Z= 1.015918 lam= -0.015669
-------------------------------------------------------------------
ik = 98 coord.: 0.3333333 0.6666667 0.1666667
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.541320 meV Im[Sigma]= 61.500663 meV Z= 1.001087 lam= -0.001085
E( 2 )= -11.9153 eV Re[Sigma]= -4.455086 meV Im[Sigma]= 66.906202 meV Z= 1.010113 lam= -0.010012
E( 3 )= -7.7465 eV Re[Sigma]= -18.849566 meV Im[Sigma]= 76.189743 meV Z= 1.006297 lam= -0.006257
E( 4 )= -5.2565 eV Re[Sigma]= 3.263640 meV Im[Sigma]= 108.409766 meV Z= 1.020209 lam= -0.019809
-------------------------------------------------------------------
ik = 99 coord.: 0.3333333 0.6666667 0.3333333
-------------------------------------------------------------------
E( 1 )= -13.7489 eV Re[Sigma]= -39.525423 meV Im[Sigma]= 60.329031 meV Z= 1.003539 lam= -0.003527
E( 2 )= -10.6632 eV Re[Sigma]= -14.928495 meV Im[Sigma]= 64.847934 meV Z= 1.006733 lam= -0.006688
E( 3 )= -9.4579 eV Re[Sigma]= 2.042371 meV Im[Sigma]= 40.767051 meV Z= 0.996245 lam= 0.003769
E( 4 )= -4.5555 eV Re[Sigma]= 11.675615 meV Im[Sigma]= 121.276731 meV Z= 1.015918 lam= -0.015669
-------------------------------------------------------------------
ik = 100 coord.: 0.3333333 0.6666667 0.5000000
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.865700 meV Im[Sigma]= 61.529531 meV Z= 1.001109 lam= -0.001108
E( 2 )= -11.9153 eV Re[Sigma]= -4.502003 meV Im[Sigma]= 67.453330 meV Z= 1.010418 lam= -0.010311
E( 3 )= -7.7465 eV Re[Sigma]= -19.378329 meV Im[Sigma]= 76.057791 meV Z= 1.006225 lam= -0.006186
E( 4 )= -5.2565 eV Re[Sigma]= 2.810843 meV Im[Sigma]= 109.183561 meV Z= 1.020288 lam= -0.019885
-------------------------------------------------------------------
ik = 101 coord.: 0.3333333 0.6666667 0.6666667
-------------------------------------------------------------------
E( 1 )= -13.7489 eV Re[Sigma]= -39.580712 meV Im[Sigma]= 60.622308 meV Z= 1.003811 lam= -0.003796
E( 2 )= -10.6632 eV Re[Sigma]= -15.301419 meV Im[Sigma]= 65.094494 meV Z= 1.006752 lam= -0.006706
E( 3 )= -9.4579 eV Re[Sigma]= 2.604495 meV Im[Sigma]= 39.545535 meV Z= 0.995880 lam= 0.004137
E( 4 )= -4.5555 eV Re[Sigma]= 12.355952 meV Im[Sigma]= 124.565017 meV Z= 1.016622 lam= -0.016350
-------------------------------------------------------------------
ik = 102 coord.: 0.3333333 0.6666667 0.8333333
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.865635 meV Im[Sigma]= 61.529584 meV Z= 1.001109 lam= -0.001108
E( 2 )= -11.9153 eV Re[Sigma]= -4.501818 meV Im[Sigma]= 67.453227 meV Z= 1.010418 lam= -0.010311
E( 3 )= -7.7465 eV Re[Sigma]= -19.378321 meV Im[Sigma]= 76.057703 meV Z= 1.006225 lam= -0.006186
E( 4 )= -5.2565 eV Re[Sigma]= 2.810842 meV Im[Sigma]= 109.183483 meV Z= 1.020288 lam= -0.019885
-------------------------------------------------------------------
ik = 103 coord.: 0.3333333 0.8333333 0.0000000
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.565552 meV Im[Sigma]= 68.248894 meV Z= 1.015118 lam= -0.014892
E( 2 )= -10.7517 eV Re[Sigma]= -7.255657 meV Im[Sigma]= 57.760797 meV Z= 1.005393 lam= -0.005364
E( 3 )= -5.2472 eV Re[Sigma]= 0.487721 meV Im[Sigma]= 121.321318 meV Z= 1.022859 lam= -0.022349
E( 4 )= -2.6593 eV Re[Sigma]= 70.741380 meV Im[Sigma]= 161.648474 meV Z= 1.042872 lam= -0.041109
-------------------------------------------------------------------
ik = 104 coord.: 0.3333333 0.8333333 0.1666667
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.721680 meV Im[Sigma]= 72.550834 meV Z= 1.014355 lam= -0.014152
E( 2 )= -8.9488 eV Re[Sigma]= -18.814592 meV Im[Sigma]= 49.833801 meV Z= 0.996140 lam= 0.003875
E( 3 )= -6.9060 eV Re[Sigma]= -4.489307 meV Im[Sigma]= 87.638660 meV Z= 1.015650 lam= -0.015409
E( 4 )= -3.9563 eV Re[Sigma]= 26.725414 meV Im[Sigma]= 142.114713 meV Z= 1.024787 lam= -0.024187
-------------------------------------------------------------------
ik = 105 coord.: 0.3333333 0.8333333 0.3333333
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.220767 meV Im[Sigma]= 56.067741 meV Z= 1.000168 lam= -0.000168
E( 2 )= -10.2664 eV Re[Sigma]= -12.333153 meV Im[Sigma]= 57.067875 meV Z= 1.000464 lam= -0.000464
E( 3 )= -7.2955 eV Re[Sigma]= -11.005118 meV Im[Sigma]= 83.964795 meV Z= 1.018399 lam= -0.018067
E( 4 )= -5.9070 eV Re[Sigma]= -4.795991 meV Im[Sigma]= 78.112656 meV Z= 1.002530 lam= -0.002523
-------------------------------------------------------------------
ik = 106 coord.: 0.3333333 0.8333333 0.5000000
-------------------------------------------------------------------
E( 1 )= -12.0052 eV Re[Sigma]= -24.871105 meV Im[Sigma]= 79.955648 meV Z= 1.015947 lam= -0.015696
E( 2 )= -11.7636 eV Re[Sigma]= -23.492409 meV Im[Sigma]= 75.575128 meV Z= 1.006779 lam= -0.006733
E( 3 )= -8.4117 eV Re[Sigma]= -8.339627 meV Im[Sigma]= 41.487028 meV Z= 0.992729 lam= 0.007325
E( 4 )= -7.0563 eV Re[Sigma]= -3.462761 meV Im[Sigma]= 78.068211 meV Z= 1.016948 lam= -0.016665
-------------------------------------------------------------------
ik = 107 coord.: 0.3333333 0.8333333 0.6666667
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.809469 meV Im[Sigma]= 61.804472 meV Z= 1.001409 lam= -0.001407
E( 2 )= -11.9153 eV Re[Sigma]= -4.747612 meV Im[Sigma]= 66.399457 meV Z= 1.009668 lam= -0.009575
E( 3 )= -7.7465 eV Re[Sigma]= -18.527599 meV Im[Sigma]= 76.767852 meV Z= 1.006441 lam= -0.006400
E( 4 )= -5.2565 eV Re[Sigma]= 1.744090 meV Im[Sigma]= 111.083142 meV Z= 1.020936 lam= -0.020507
-------------------------------------------------------------------
ik = 108 coord.: 0.3333333 0.8333333 0.8333333
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.205965 meV Im[Sigma]= 62.540412 meV Z= 1.004137 lam= -0.004120
E( 2 )= -12.4383 eV Re[Sigma]= -11.484170 meV Im[Sigma]= 65.234977 meV Z= 1.008652 lam= -0.008578
E( 3 )= -4.5379 eV Re[Sigma]= 12.755474 meV Im[Sigma]= 134.099205 meV Z= 1.018132 lam= -0.017809
E( 4 )= -3.8929 eV Re[Sigma]= 24.529300 meV Im[Sigma]= 142.416679 meV Z= 1.025045 lam= -0.024433
-------------------------------------------------------------------
ik = 109 coord.: 0.5000000 0.0000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -15.6077 eV Re[Sigma]= -40.964983 meV Im[Sigma]= 59.574029 meV Z= 1.004764 lam= -0.004742
E( 2 )= -14.0678 eV Re[Sigma]= -10.055493 meV Im[Sigma]= 62.458085 meV Z= 1.003648 lam= -0.003634
E( 3 )= -2.9614 eV Re[Sigma]= 54.148560 meV Im[Sigma]= 173.018342 meV Z= 1.045793 lam= -0.043788
E( 4 )= -2.9614 eV Re[Sigma]= 54.148560 meV Im[Sigma]= 173.018342 meV Z= 1.045793 lam= -0.043788
-------------------------------------------------------------------
ik = 110 coord.: 0.5000000 0.0000000 0.1666667
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.206018 meV Im[Sigma]= 62.540286 meV Z= 1.004137 lam= -0.004120
E( 2 )= -12.4383 eV Re[Sigma]= -11.484376 meV Im[Sigma]= 65.234942 meV Z= 1.008652 lam= -0.008578
E( 3 )= -4.5379 eV Re[Sigma]= 12.755754 meV Im[Sigma]= 134.099248 meV Z= 1.018132 lam= -0.017809
E( 4 )= -3.8929 eV Re[Sigma]= 24.529302 meV Im[Sigma]= 142.416512 meV Z= 1.025045 lam= -0.024433
-------------------------------------------------------------------
ik = 111 coord.: 0.5000000 0.0000000 0.3333333
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.305804 meV Im[Sigma]= 56.076469 meV Z= 1.000191 lam= -0.000191
E( 2 )= -10.2664 eV Re[Sigma]= -12.714418 meV Im[Sigma]= 56.833146 meV Z= 1.000355 lam= -0.000355
E( 3 )= -7.2955 eV Re[Sigma]= -10.546189 meV Im[Sigma]= 82.756710 meV Z= 1.018010 lam= -0.017692
E( 4 )= -5.9070 eV Re[Sigma]= -5.241474 meV Im[Sigma]= 80.026227 meV Z= 1.002837 lam= -0.002829
-------------------------------------------------------------------
ik = 112 coord.: 0.5000000 0.0000000 0.5000000
-------------------------------------------------------------------
E( 1 )= -12.8708 eV Re[Sigma]= -28.996999 meV Im[Sigma]= 63.141498 meV Z= 1.000478 lam= -0.000478
E( 2 )= -11.9934 eV Re[Sigma]= -20.805031 meV Im[Sigma]= 78.315034 meV Z= 1.012449 lam= -0.012296
E( 3 )= -6.9896 eV Re[Sigma]= -4.186671 meV Im[Sigma]= 70.002540 meV Z= 1.014673 lam= -0.014461
E( 4 )= -6.9896 eV Re[Sigma]= -4.186671 meV Im[Sigma]= 70.002540 meV Z= 1.014673 lam= -0.014461
-------------------------------------------------------------------
ik = 113 coord.: 0.5000000 0.0000000 0.6666667
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.305718 meV Im[Sigma]= 56.076380 meV Z= 1.000191 lam= -0.000191
E( 2 )= -10.2664 eV Re[Sigma]= -12.714436 meV Im[Sigma]= 56.833196 meV Z= 1.000355 lam= -0.000355
E( 3 )= -7.2955 eV Re[Sigma]= -10.546535 meV Im[Sigma]= 82.756644 meV Z= 1.018010 lam= -0.017692
E( 4 )= -5.9070 eV Re[Sigma]= -5.241430 meV Im[Sigma]= 80.025980 meV Z= 1.002837 lam= -0.002829
-------------------------------------------------------------------
ik = 114 coord.: 0.5000000 0.0000000 0.8333333
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.205932 meV Im[Sigma]= 62.540123 meV Z= 1.004137 lam= -0.004120
E( 2 )= -12.4383 eV Re[Sigma]= -11.484389 meV Im[Sigma]= 65.235086 meV Z= 1.008652 lam= -0.008578
E( 3 )= -4.5379 eV Re[Sigma]= 12.755487 meV Im[Sigma]= 134.099469 meV Z= 1.018132 lam= -0.017809
E( 4 )= -3.8929 eV Re[Sigma]= 24.529296 meV Im[Sigma]= 142.416321 meV Z= 1.025045 lam= -0.024433
-------------------------------------------------------------------
ik = 115 coord.: 0.5000000 0.1666667 0.0000000
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.223197 meV Im[Sigma]= 63.286276 meV Z= 1.004601 lam= -0.004580
E( 2 )= -12.4383 eV Re[Sigma]= -11.337028 meV Im[Sigma]= 65.621067 meV Z= 1.008719 lam= -0.008644
E( 3 )= -4.5379 eV Re[Sigma]= 12.104259 meV Im[Sigma]= 135.508771 meV Z= 1.018357 lam= -0.018026
E( 4 )= -3.8929 eV Re[Sigma]= 24.247182 meV Im[Sigma]= 140.528131 meV Z= 1.024754 lam= -0.024156
-------------------------------------------------------------------
ik = 116 coord.: 0.5000000 0.1666667 0.1666667
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.622394 meV Im[Sigma]= 68.210885 meV Z= 1.015079 lam= -0.014855
E( 2 )= -10.7517 eV Re[Sigma]= -7.103501 meV Im[Sigma]= 57.853078 meV Z= 1.005376 lam= -0.005347
E( 3 )= -5.2472 eV Re[Sigma]= 1.340493 meV Im[Sigma]= 120.237321 meV Z= 1.022394 lam= -0.021904
E( 4 )= -2.6593 eV Re[Sigma]= 72.264879 meV Im[Sigma]= 163.896079 meV Z= 1.043274 lam= -0.041479
-------------------------------------------------------------------
ik = 117 coord.: 0.5000000 0.1666667 0.3333333
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.836353 meV Im[Sigma]= 72.505733 meV Z= 1.014393 lam= -0.014189
E( 2 )= -8.9488 eV Re[Sigma]= -18.613634 meV Im[Sigma]= 50.530154 meV Z= 0.996385 lam= 0.003628
E( 3 )= -6.9060 eV Re[Sigma]= -4.879716 meV Im[Sigma]= 87.563638 meV Z= 1.015486 lam= -0.015250
E( 4 )= -3.9563 eV Re[Sigma]= 26.626444 meV Im[Sigma]= 143.147340 meV Z= 1.024969 lam= -0.024360
-------------------------------------------------------------------
ik = 118 coord.: 0.5000000 0.1666667 0.5000000
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.507250 meV Im[Sigma]= 56.053403 meV Z= 1.000150 lam= -0.000150
E( 2 )= -10.2664 eV Re[Sigma]= -12.769375 meV Im[Sigma]= 57.168246 meV Z= 1.000424 lam= -0.000424
E( 3 )= -7.2955 eV Re[Sigma]= -11.406603 meV Im[Sigma]= 84.737343 meV Z= 1.018885 lam= -0.018535
E( 4 )= -5.9070 eV Re[Sigma]= -5.762720 meV Im[Sigma]= 78.309809 meV Z= 1.002730 lam= -0.002723
-------------------------------------------------------------------
ik = 119 coord.: 0.5000000 0.1666667 0.6666667
-------------------------------------------------------------------
E( 1 )= -12.0052 eV Re[Sigma]= -24.871148 meV Im[Sigma]= 79.955504 meV Z= 1.015946 lam= -0.015696
E( 2 )= -11.7636 eV Re[Sigma]= -23.492521 meV Im[Sigma]= 75.575270 meV Z= 1.006779 lam= -0.006733
E( 3 )= -8.4117 eV Re[Sigma]= -8.339470 meV Im[Sigma]= 41.486970 meV Z= 0.992729 lam= 0.007325
E( 4 )= -7.0563 eV Re[Sigma]= -3.462831 meV Im[Sigma]= 78.068129 meV Z= 1.016948 lam= -0.016665
-------------------------------------------------------------------
ik = 120 coord.: 0.5000000 0.1666667 0.8333333
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.865717 meV Im[Sigma]= 61.529493 meV Z= 1.001109 lam= -0.001108
E( 2 )= -11.9153 eV Re[Sigma]= -4.502042 meV Im[Sigma]= 67.453411 meV Z= 1.010418 lam= -0.010311
E( 3 )= -7.7465 eV Re[Sigma]= -19.378302 meV Im[Sigma]= 76.057828 meV Z= 1.006225 lam= -0.006186
E( 4 )= -5.2565 eV Re[Sigma]= 2.810748 meV Im[Sigma]= 109.183507 meV Z= 1.020288 lam= -0.019885
-------------------------------------------------------------------
ik = 121 coord.: 0.5000000 0.3333333 0.0000000
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.507423 meV Im[Sigma]= 56.053390 meV Z= 1.000150 lam= -0.000150
E( 2 )= -10.2664 eV Re[Sigma]= -12.769438 meV Im[Sigma]= 57.168172 meV Z= 1.000424 lam= -0.000424
E( 3 )= -7.2955 eV Re[Sigma]= -11.406575 meV Im[Sigma]= 84.737461 meV Z= 1.018885 lam= -0.018535
E( 4 )= -5.9070 eV Re[Sigma]= -5.762842 meV Im[Sigma]= 78.310170 meV Z= 1.002730 lam= -0.002723
-------------------------------------------------------------------
ik = 122 coord.: 0.5000000 0.3333333 0.1666667
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.836421 meV Im[Sigma]= 72.505630 meV Z= 1.014393 lam= -0.014189
E( 2 )= -8.9488 eV Re[Sigma]= -18.613549 meV Im[Sigma]= 50.530197 meV Z= 0.996385 lam= 0.003628
E( 3 )= -6.9060 eV Re[Sigma]= -4.879665 meV Im[Sigma]= 87.563724 meV Z= 1.015486 lam= -0.015250
E( 4 )= -3.9563 eV Re[Sigma]= 26.626405 meV Im[Sigma]= 143.147429 meV Z= 1.024969 lam= -0.024361
-------------------------------------------------------------------
ik = 123 coord.: 0.5000000 0.3333333 0.3333333
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.622352 meV Im[Sigma]= 68.210703 meV Z= 1.015079 lam= -0.014855
E( 2 )= -10.7517 eV Re[Sigma]= -7.103482 meV Im[Sigma]= 57.853139 meV Z= 1.005376 lam= -0.005347
E( 3 )= -5.2472 eV Re[Sigma]= 1.340511 meV Im[Sigma]= 120.237500 meV Z= 1.022394 lam= -0.021904
E( 4 )= -2.6593 eV Re[Sigma]= 72.264999 meV Im[Sigma]= 163.896078 meV Z= 1.043274 lam= -0.041479
-------------------------------------------------------------------
ik = 124 coord.: 0.5000000 0.3333333 0.5000000
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.223101 meV Im[Sigma]= 63.285953 meV Z= 1.004601 lam= -0.004580
E( 2 )= -12.4383 eV Re[Sigma]= -11.337033 meV Im[Sigma]= 65.620972 meV Z= 1.008719 lam= -0.008644
E( 3 )= -4.5379 eV Re[Sigma]= 12.104257 meV Im[Sigma]= 135.509134 meV Z= 1.018357 lam= -0.018026
E( 4 )= -3.8929 eV Re[Sigma]= 24.247338 meV Im[Sigma]= 140.528380 meV Z= 1.024754 lam= -0.024156
-------------------------------------------------------------------
ik = 125 coord.: 0.5000000 0.3333333 0.6666667
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.865724 meV Im[Sigma]= 61.529547 meV Z= 1.001109 lam= -0.001108
E( 2 )= -11.9153 eV Re[Sigma]= -4.501914 meV Im[Sigma]= 67.453240 meV Z= 1.010418 lam= -0.010311
E( 3 )= -7.7465 eV Re[Sigma]= -19.378377 meV Im[Sigma]= 76.057814 meV Z= 1.006225 lam= -0.006186
E( 4 )= -5.2565 eV Re[Sigma]= 2.810812 meV Im[Sigma]= 109.183650 meV Z= 1.020288 lam= -0.019885
-------------------------------------------------------------------
ik = 126 coord.: 0.5000000 0.3333333 0.8333333
-------------------------------------------------------------------
E( 1 )= -12.0052 eV Re[Sigma]= -24.871209 meV Im[Sigma]= 79.955733 meV Z= 1.015947 lam= -0.015696
E( 2 )= -11.7636 eV Re[Sigma]= -23.492535 meV Im[Sigma]= 75.575108 meV Z= 1.006779 lam= -0.006733
E( 3 )= -8.4117 eV Re[Sigma]= -8.339612 meV Im[Sigma]= 41.486985 meV Z= 0.992729 lam= 0.007325
E( 4 )= -7.0563 eV Re[Sigma]= -3.462784 meV Im[Sigma]= 78.068231 meV Z= 1.016948 lam= -0.016665
-------------------------------------------------------------------
ik = 127 coord.: 0.5000000 0.5000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -12.8708 eV Re[Sigma]= -28.997449 meV Im[Sigma]= 63.141684 meV Z= 1.000478 lam= -0.000478
E( 2 )= -11.9934 eV Re[Sigma]= -20.805058 meV Im[Sigma]= 78.314767 meV Z= 1.012449 lam= -0.012296
E( 3 )= -6.9896 eV Re[Sigma]= -4.186787 meV Im[Sigma]= 70.002378 meV Z= 1.014673 lam= -0.014461
E( 4 )= -6.9896 eV Re[Sigma]= -4.186787 meV Im[Sigma]= 70.002378 meV Z= 1.014673 lam= -0.014461
-------------------------------------------------------------------
ik = 128 coord.: 0.5000000 0.5000000 0.1666667
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.305846 meV Im[Sigma]= 56.076443 meV Z= 1.000191 lam= -0.000191
E( 2 )= -10.2664 eV Re[Sigma]= -12.714384 meV Im[Sigma]= 56.833211 meV Z= 1.000355 lam= -0.000355
E( 3 )= -7.2955 eV Re[Sigma]= -10.546324 meV Im[Sigma]= 82.756852 meV Z= 1.018010 lam= -0.017692
E( 4 )= -5.9070 eV Re[Sigma]= -5.241436 meV Im[Sigma]= 80.025776 meV Z= 1.002837 lam= -0.002829
-------------------------------------------------------------------
ik = 129 coord.: 0.5000000 0.5000000 0.3333333
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.206055 meV Im[Sigma]= 62.540023 meV Z= 1.004137 lam= -0.004120
E( 2 )= -12.4383 eV Re[Sigma]= -11.484272 meV Im[Sigma]= 65.235171 meV Z= 1.008652 lam= -0.008578
E( 3 )= -4.5379 eV Re[Sigma]= 12.755826 meV Im[Sigma]= 134.099312 meV Z= 1.018132 lam= -0.017809
E( 4 )= -3.8929 eV Re[Sigma]= 24.529272 meV Im[Sigma]= 142.416534 meV Z= 1.025045 lam= -0.024433
-------------------------------------------------------------------
ik = 130 coord.: 0.5000000 0.5000000 0.5000000
-------------------------------------------------------------------
E( 1 )= -15.6077 eV Re[Sigma]= -40.965352 meV Im[Sigma]= 59.573554 meV Z= 1.004764 lam= -0.004742
E( 2 )= -14.0678 eV Re[Sigma]= -10.055356 meV Im[Sigma]= 62.458197 meV Z= 1.003648 lam= -0.003634
E( 3 )= -2.9614 eV Re[Sigma]= 54.148762 meV Im[Sigma]= 173.018776 meV Z= 1.045794 lam= -0.043788
E( 4 )= -2.9614 eV Re[Sigma]= 54.148762 meV Im[Sigma]= 173.018776 meV Z= 1.045794 lam= -0.043788
-------------------------------------------------------------------
ik = 131 coord.: 0.5000000 0.5000000 0.6666667
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.206181 meV Im[Sigma]= 62.540291 meV Z= 1.004137 lam= -0.004120
E( 2 )= -12.4383 eV Re[Sigma]= -11.484287 meV Im[Sigma]= 65.234898 meV Z= 1.008652 lam= -0.008578
E( 3 )= -4.5379 eV Re[Sigma]= 12.755278 meV Im[Sigma]= 134.100059 meV Z= 1.018132 lam= -0.017809
E( 4 )= -3.8929 eV Re[Sigma]= 24.529375 meV Im[Sigma]= 142.416566 meV Z= 1.025045 lam= -0.024433
-------------------------------------------------------------------
ik = 132 coord.: 0.5000000 0.5000000 0.8333333
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.305802 meV Im[Sigma]= 56.076528 meV Z= 1.000191 lam= -0.000191
E( 2 )= -10.2664 eV Re[Sigma]= -12.714361 meV Im[Sigma]= 56.833131 meV Z= 1.000355 lam= -0.000355
E( 3 )= -7.2955 eV Re[Sigma]= -10.546530 meV Im[Sigma]= 82.756631 meV Z= 1.018010 lam= -0.017692
E( 4 )= -5.9070 eV Re[Sigma]= -5.241418 meV Im[Sigma]= 80.026173 meV Z= 1.002837 lam= -0.002829
-------------------------------------------------------------------
ik = 133 coord.: 0.5000000 0.6666667 0.0000000
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.507214 meV Im[Sigma]= 56.053323 meV Z= 1.000150 lam= -0.000150
E( 2 )= -10.2664 eV Re[Sigma]= -12.769299 meV Im[Sigma]= 57.168247 meV Z= 1.000424 lam= -0.000424
E( 3 )= -7.2955 eV Re[Sigma]= -11.406586 meV Im[Sigma]= 84.737353 meV Z= 1.018885 lam= -0.018535
E( 4 )= -5.9070 eV Re[Sigma]= -5.763060 meV Im[Sigma]= 78.310120 meV Z= 1.002730 lam= -0.002723
-------------------------------------------------------------------
ik = 134 coord.: 0.5000000 0.6666667 0.1666667
-------------------------------------------------------------------
E( 1 )= -12.0052 eV Re[Sigma]= -24.871329 meV Im[Sigma]= 79.955723 meV Z= 1.015947 lam= -0.015696
E( 2 )= -11.7636 eV Re[Sigma]= -23.492475 meV Im[Sigma]= 75.575174 meV Z= 1.006779 lam= -0.006733
E( 3 )= -8.4117 eV Re[Sigma]= -8.339428 meV Im[Sigma]= 41.486981 meV Z= 0.992729 lam= 0.007325
E( 4 )= -7.0563 eV Re[Sigma]= -3.462732 meV Im[Sigma]= 78.067991 meV Z= 1.016948 lam= -0.016665
-------------------------------------------------------------------
ik = 135 coord.: 0.5000000 0.6666667 0.3333333
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.865748 meV Im[Sigma]= 61.529625 meV Z= 1.001109 lam= -0.001108
E( 2 )= -11.9153 eV Re[Sigma]= -4.501995 meV Im[Sigma]= 67.453398 meV Z= 1.010418 lam= -0.010311
E( 3 )= -7.7465 eV Re[Sigma]= -19.378179 meV Im[Sigma]= 76.057766 meV Z= 1.006225 lam= -0.006186
E( 4 )= -5.2565 eV Re[Sigma]= 2.810826 meV Im[Sigma]= 109.183568 meV Z= 1.020288 lam= -0.019885
-------------------------------------------------------------------
ik = 136 coord.: 0.5000000 0.6666667 0.5000000
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.223394 meV Im[Sigma]= 63.286227 meV Z= 1.004601 lam= -0.004580
E( 2 )= -12.4383 eV Re[Sigma]= -11.337074 meV Im[Sigma]= 65.621140 meV Z= 1.008719 lam= -0.008644
E( 3 )= -4.5379 eV Re[Sigma]= 12.103871 meV Im[Sigma]= 135.509149 meV Z= 1.018357 lam= -0.018026
E( 4 )= -3.8929 eV Re[Sigma]= 24.247459 meV Im[Sigma]= 140.528246 meV Z= 1.024754 lam= -0.024156
-------------------------------------------------------------------
ik = 137 coord.: 0.5000000 0.6666667 0.6666667
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.622587 meV Im[Sigma]= 68.210980 meV Z= 1.015079 lam= -0.014855
E( 2 )= -10.7517 eV Re[Sigma]= -7.103524 meV Im[Sigma]= 57.853132 meV Z= 1.005376 lam= -0.005347
E( 3 )= -5.2472 eV Re[Sigma]= 1.340664 meV Im[Sigma]= 120.237439 meV Z= 1.022394 lam= -0.021904
E( 4 )= -2.6593 eV Re[Sigma]= 72.265063 meV Im[Sigma]= 163.897339 meV Z= 1.043274 lam= -0.041479
-------------------------------------------------------------------
ik = 138 coord.: 0.5000000 0.6666667 0.8333333
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.836341 meV Im[Sigma]= 72.505953 meV Z= 1.014393 lam= -0.014189
E( 2 )= -8.9488 eV Re[Sigma]= -18.613402 meV Im[Sigma]= 50.530130 meV Z= 0.996385 lam= 0.003628
E( 3 )= -6.9060 eV Re[Sigma]= -4.879771 meV Im[Sigma]= 87.563733 meV Z= 1.015486 lam= -0.015250
E( 4 )= -3.9563 eV Re[Sigma]= 26.626304 meV Im[Sigma]= 143.148424 meV Z= 1.024969 lam= -0.024361
-------------------------------------------------------------------
ik = 139 coord.: 0.5000000 0.8333333 0.0000000
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.223079 meV Im[Sigma]= 63.286274 meV Z= 1.004601 lam= -0.004580
E( 2 )= -12.4383 eV Re[Sigma]= -11.336942 meV Im[Sigma]= 65.621007 meV Z= 1.008719 lam= -0.008644
E( 3 )= -4.5379 eV Re[Sigma]= 12.103984 meV Im[Sigma]= 135.509191 meV Z= 1.018357 lam= -0.018026
E( 4 )= -3.8929 eV Re[Sigma]= 24.247510 meV Im[Sigma]= 140.527981 meV Z= 1.024754 lam= -0.024156
-------------------------------------------------------------------
ik = 140 coord.: 0.5000000 0.8333333 0.1666667
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.865705 meV Im[Sigma]= 61.529644 meV Z= 1.001109 lam= -0.001108
E( 2 )= -11.9153 eV Re[Sigma]= -4.502012 meV Im[Sigma]= 67.453269 meV Z= 1.010418 lam= -0.010311
E( 3 )= -7.7465 eV Re[Sigma]= -19.378195 meV Im[Sigma]= 76.057492 meV Z= 1.006225 lam= -0.006186
E( 4 )= -5.2565 eV Re[Sigma]= 2.810882 meV Im[Sigma]= 109.183559 meV Z= 1.020288 lam= -0.019885
-------------------------------------------------------------------
ik = 141 coord.: 0.5000000 0.8333333 0.3333333
-------------------------------------------------------------------
E( 1 )= -12.0052 eV Re[Sigma]= -24.871091 meV Im[Sigma]= 79.955814 meV Z= 1.015947 lam= -0.015696
E( 2 )= -11.7636 eV Re[Sigma]= -23.492463 meV Im[Sigma]= 75.575221 meV Z= 1.006779 lam= -0.006733
E( 3 )= -8.4117 eV Re[Sigma]= -8.339555 meV Im[Sigma]= 41.486927 meV Z= 0.992729 lam= 0.007325
E( 4 )= -7.0563 eV Re[Sigma]= -3.462716 meV Im[Sigma]= 78.068311 meV Z= 1.016948 lam= -0.016666
-------------------------------------------------------------------
ik = 142 coord.: 0.5000000 0.8333333 0.5000000
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.507190 meV Im[Sigma]= 56.053582 meV Z= 1.000150 lam= -0.000150
E( 2 )= -10.2664 eV Re[Sigma]= -12.769317 meV Im[Sigma]= 57.168176 meV Z= 1.000424 lam= -0.000424
E( 3 )= -7.2955 eV Re[Sigma]= -11.406534 meV Im[Sigma]= 84.737346 meV Z= 1.018885 lam= -0.018535
E( 4 )= -5.9070 eV Re[Sigma]= -5.762947 meV Im[Sigma]= 78.310261 meV Z= 1.002730 lam= -0.002723
-------------------------------------------------------------------
ik = 143 coord.: 0.5000000 0.8333333 0.6666667
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.836427 meV Im[Sigma]= 72.505850 meV Z= 1.014393 lam= -0.014189
E( 2 )= -8.9488 eV Re[Sigma]= -18.613529 meV Im[Sigma]= 50.530181 meV Z= 0.996385 lam= 0.003628
E( 3 )= -6.9060 eV Re[Sigma]= -4.880099 meV Im[Sigma]= 87.563978 meV Z= 1.015486 lam= -0.015250
E( 4 )= -3.9563 eV Re[Sigma]= 26.626313 meV Im[Sigma]= 143.147450 meV Z= 1.024969 lam= -0.024361
-------------------------------------------------------------------
ik = 144 coord.: 0.5000000 0.8333333 0.8333333
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.622354 meV Im[Sigma]= 68.210978 meV Z= 1.015079 lam= -0.014855
E( 2 )= -10.7517 eV Re[Sigma]= -7.103376 meV Im[Sigma]= 57.853096 meV Z= 1.005375 lam= -0.005347
E( 3 )= -5.2472 eV Re[Sigma]= 1.340570 meV Im[Sigma]= 120.237549 meV Z= 1.022394 lam= -0.021904
E( 4 )= -2.6593 eV Re[Sigma]= 72.265136 meV Im[Sigma]= 163.896902 meV Z= 1.043274 lam= -0.041479
-------------------------------------------------------------------
ik = 145 coord.: 0.6666667 0.0000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -18.3978 eV Re[Sigma]= -56.338124 meV Im[Sigma]= 40.534117 meV Z= 1.002330 lam= -0.002325
E( 2 )= -9.2191 eV Re[Sigma]= -13.643447 meV Im[Sigma]= 49.627677 meV Z= 0.997292 lam= 0.002716
E( 3 )= -2.0907 eV Re[Sigma]= 96.624241 meV Im[Sigma]= 145.977501 meV Z= 1.021935 lam= -0.021464
E( 4 )= -2.0907 eV Re[Sigma]= 96.624241 meV Im[Sigma]= 145.977501 meV Z= 1.021935 lam= -0.021464
-------------------------------------------------------------------
ik = 146 coord.: 0.6666667 0.0000000 0.1666667
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.622552 meV Im[Sigma]= 68.210836 meV Z= 1.015079 lam= -0.014855
E( 2 )= -10.7517 eV Re[Sigma]= -7.103459 meV Im[Sigma]= 57.853179 meV Z= 1.005376 lam= -0.005347
E( 3 )= -5.2472 eV Re[Sigma]= 1.340486 meV Im[Sigma]= 120.237493 meV Z= 1.022394 lam= -0.021904
E( 4 )= -2.6593 eV Re[Sigma]= 72.265028 meV Im[Sigma]= 163.896463 meV Z= 1.043274 lam= -0.041479
-------------------------------------------------------------------
ik = 147 coord.: 0.6666667 0.0000000 0.3333333
-------------------------------------------------------------------
E( 1 )= -13.7489 eV Re[Sigma]= -39.580776 meV Im[Sigma]= 60.622338 meV Z= 1.003811 lam= -0.003796
E( 2 )= -10.6632 eV Re[Sigma]= -15.301421 meV Im[Sigma]= 65.094583 meV Z= 1.006752 lam= -0.006706
E( 3 )= -9.4579 eV Re[Sigma]= 2.604564 meV Im[Sigma]= 39.545533 meV Z= 0.995880 lam= 0.004137
E( 4 )= -4.5555 eV Re[Sigma]= 12.355813 meV Im[Sigma]= 124.565044 meV Z= 1.016622 lam= -0.016350
-------------------------------------------------------------------
ik = 148 coord.: 0.6666667 0.0000000 0.5000000
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.305645 meV Im[Sigma]= 56.076472 meV Z= 1.000191 lam= -0.000191
E( 2 )= -10.2664 eV Re[Sigma]= -12.714407 meV Im[Sigma]= 56.833257 meV Z= 1.000355 lam= -0.000355
E( 3 )= -7.2955 eV Re[Sigma]= -10.546525 meV Im[Sigma]= 82.756698 meV Z= 1.018010 lam= -0.017692
E( 4 )= -5.9070 eV Re[Sigma]= -5.241478 meV Im[Sigma]= 80.026133 meV Z= 1.002837 lam= -0.002829
-------------------------------------------------------------------
ik = 149 coord.: 0.6666667 0.0000000 0.6666667
-------------------------------------------------------------------
E( 1 )= -17.3646 eV Re[Sigma]= -58.929319 meV Im[Sigma]= 42.127654 meV Z= 0.994716 lam= 0.005312
E( 2 )= -6.7590 eV Re[Sigma]= -15.655579 meV Im[Sigma]= 108.547836 meV Z= 1.011615 lam= -0.011482
E( 3 )= -5.2110 eV Re[Sigma]= 2.859887 meV Im[Sigma]= 106.353783 meV Z= 1.019113 lam= -0.018755
E( 4 )= -5.2110 eV Re[Sigma]= 2.859887 meV Im[Sigma]= 106.353783 meV Z= 1.019113 lam= -0.018755
-------------------------------------------------------------------
ik = 150 coord.: 0.6666667 0.0000000 0.8333333
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.014481 meV Im[Sigma]= 43.223927 meV Z= 1.007620 lam= -0.007563
E( 2 )= -6.9063 eV Re[Sigma]= -10.958768 meV Im[Sigma]= 102.189445 meV Z= 1.018021 lam= -0.017702
E( 3 )= -3.2910 eV Re[Sigma]= 47.272366 meV Im[Sigma]= 167.531918 meV Z= 1.035892 lam= -0.034648
E( 4 )= -2.6027 eV Re[Sigma]= 80.473907 meV Im[Sigma]= 167.235831 meV Z= 1.042446 lam= -0.040718
-------------------------------------------------------------------
ik = 151 coord.: 0.6666667 0.1666667 0.0000000
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.565492 meV Im[Sigma]= 68.248742 meV Z= 1.015118 lam= -0.014892
E( 2 )= -10.7517 eV Re[Sigma]= -7.255831 meV Im[Sigma]= 57.760912 meV Z= 1.005393 lam= -0.005364
E( 3 )= -5.2472 eV Re[Sigma]= 0.487758 meV Im[Sigma]= 121.321445 meV Z= 1.022859 lam= -0.022349
E( 4 )= -2.6593 eV Re[Sigma]= 70.741207 meV Im[Sigma]= 161.648867 meV Z= 1.042872 lam= -0.041110
-------------------------------------------------------------------
ik = 152 coord.: 0.6666667 0.1666667 0.1666667
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.206036 meV Im[Sigma]= 62.540074 meV Z= 1.004137 lam= -0.004120
E( 2 )= -12.4383 eV Re[Sigma]= -11.484338 meV Im[Sigma]= 65.235083 meV Z= 1.008652 lam= -0.008578
E( 3 )= -4.5379 eV Re[Sigma]= 12.755463 meV Im[Sigma]= 134.098972 meV Z= 1.018132 lam= -0.017809
E( 4 )= -3.8929 eV Re[Sigma]= 24.529530 meV Im[Sigma]= 142.416858 meV Z= 1.025045 lam= -0.024433
-------------------------------------------------------------------
ik = 153 coord.: 0.6666667 0.1666667 0.3333333
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.809475 meV Im[Sigma]= 61.804375 meV Z= 1.001409 lam= -0.001407
E( 2 )= -11.9153 eV Re[Sigma]= -4.747763 meV Im[Sigma]= 66.399506 meV Z= 1.009668 lam= -0.009575
E( 3 )= -7.7465 eV Re[Sigma]= -18.527341 meV Im[Sigma]= 76.767814 meV Z= 1.006441 lam= -0.006400
E( 4 )= -5.2565 eV Re[Sigma]= 1.744171 meV Im[Sigma]= 111.083617 meV Z= 1.020936 lam= -0.020507
-------------------------------------------------------------------
ik = 154 coord.: 0.6666667 0.1666667 0.5000000
-------------------------------------------------------------------
E( 1 )= -12.0052 eV Re[Sigma]= -24.871040 meV Im[Sigma]= 79.955621 meV Z= 1.015947 lam= -0.015696
E( 2 )= -11.7636 eV Re[Sigma]= -23.492512 meV Im[Sigma]= 75.575217 meV Z= 1.006779 lam= -0.006733
E( 3 )= -8.4117 eV Re[Sigma]= -8.339507 meV Im[Sigma]= 41.486944 meV Z= 0.992729 lam= 0.007325
E( 4 )= -7.0563 eV Re[Sigma]= -3.462860 meV Im[Sigma]= 78.068305 meV Z= 1.016948 lam= -0.016666
-------------------------------------------------------------------
ik = 155 coord.: 0.6666667 0.1666667 0.6666667
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.220531 meV Im[Sigma]= 56.067548 meV Z= 1.000168 lam= -0.000168
E( 2 )= -10.2664 eV Re[Sigma]= -12.333065 meV Im[Sigma]= 57.067860 meV Z= 1.000464 lam= -0.000464
E( 3 )= -7.2955 eV Re[Sigma]= -11.005018 meV Im[Sigma]= 83.964354 meV Z= 1.018399 lam= -0.018067
E( 4 )= -5.9070 eV Re[Sigma]= -4.796390 meV Im[Sigma]= 78.112829 meV Z= 1.002530 lam= -0.002523
-------------------------------------------------------------------
ik = 156 coord.: 0.6666667 0.1666667 0.8333333
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.721572 meV Im[Sigma]= 72.550732 meV Z= 1.014355 lam= -0.014152
E( 2 )= -8.9488 eV Re[Sigma]= -18.814634 meV Im[Sigma]= 49.833905 meV Z= 0.996140 lam= 0.003874
E( 3 )= -6.9060 eV Re[Sigma]= -4.489423 meV Im[Sigma]= 87.638363 meV Z= 1.015650 lam= -0.015409
E( 4 )= -3.9563 eV Re[Sigma]= 26.725198 meV Im[Sigma]= 142.114697 meV Z= 1.024787 lam= -0.024187
-------------------------------------------------------------------
ik = 157 coord.: 0.6666667 0.3333333 0.0000000
-------------------------------------------------------------------
E( 1 )= -13.7489 eV Re[Sigma]= -39.525423 meV Im[Sigma]= 60.329031 meV Z= 1.003539 lam= -0.003527
E( 2 )= -10.6632 eV Re[Sigma]= -14.928495 meV Im[Sigma]= 64.847932 meV Z= 1.006733 lam= -0.006688
E( 3 )= -9.4579 eV Re[Sigma]= 2.042371 meV Im[Sigma]= 40.767051 meV Z= 0.996245 lam= 0.003769
E( 4 )= -4.5555 eV Re[Sigma]= 11.675617 meV Im[Sigma]= 121.276721 meV Z= 1.015918 lam= -0.015669
-------------------------------------------------------------------
ik = 158 coord.: 0.6666667 0.3333333 0.1666667
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.865702 meV Im[Sigma]= 61.529504 meV Z= 1.001109 lam= -0.001108
E( 2 )= -11.9153 eV Re[Sigma]= -4.501954 meV Im[Sigma]= 67.453355 meV Z= 1.010418 lam= -0.010311
E( 3 )= -7.7465 eV Re[Sigma]= -19.378318 meV Im[Sigma]= 76.057766 meV Z= 1.006225 lam= -0.006186
E( 4 )= -5.2565 eV Re[Sigma]= 2.810838 meV Im[Sigma]= 109.183539 meV Z= 1.020288 lam= -0.019885
-------------------------------------------------------------------
ik = 159 coord.: 0.6666667 0.3333333 0.3333333
-------------------------------------------------------------------
E( 1 )= -13.7489 eV Re[Sigma]= -39.580696 meV Im[Sigma]= 60.622274 meV Z= 1.003811 lam= -0.003796
E( 2 )= -10.6632 eV Re[Sigma]= -15.301540 meV Im[Sigma]= 65.094461 meV Z= 1.006752 lam= -0.006706
E( 3 )= -9.4579 eV Re[Sigma]= 2.604509 meV Im[Sigma]= 39.545536 meV Z= 0.995880 lam= 0.004137
E( 4 )= -4.5555 eV Re[Sigma]= 12.355931 meV Im[Sigma]= 124.565017 meV Z= 1.016622 lam= -0.016350
-------------------------------------------------------------------
ik = 160 coord.: 0.6666667 0.3333333 0.5000000
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.865655 meV Im[Sigma]= 61.529690 meV Z= 1.001109 lam= -0.001108
E( 2 )= -11.9153 eV Re[Sigma]= -4.501899 meV Im[Sigma]= 67.453255 meV Z= 1.010418 lam= -0.010311
E( 3 )= -7.7465 eV Re[Sigma]= -19.378362 meV Im[Sigma]= 76.057659 meV Z= 1.006225 lam= -0.006186
E( 4 )= -5.2565 eV Re[Sigma]= 2.810827 meV Im[Sigma]= 109.183801 meV Z= 1.020288 lam= -0.019885
-------------------------------------------------------------------
ik = 161 coord.: 0.6666667 0.3333333 0.6666667
-------------------------------------------------------------------
E( 1 )= -13.7489 eV Re[Sigma]= -39.525419 meV Im[Sigma]= 60.328984 meV Z= 1.003539 lam= -0.003527
E( 2 )= -10.6632 eV Re[Sigma]= -14.928542 meV Im[Sigma]= 64.847896 meV Z= 1.006733 lam= -0.006688
E( 3 )= -9.4579 eV Re[Sigma]= 2.042360 meV Im[Sigma]= 40.767012 meV Z= 0.996245 lam= 0.003769
E( 4 )= -4.5555 eV Re[Sigma]= 11.675644 meV Im[Sigma]= 121.276761 meV Z= 1.015918 lam= -0.015669
-------------------------------------------------------------------
ik = 162 coord.: 0.6666667 0.3333333 0.8333333
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.541213 meV Im[Sigma]= 61.500564 meV Z= 1.001087 lam= -0.001085
E( 2 )= -11.9153 eV Re[Sigma]= -4.455074 meV Im[Sigma]= 66.906126 meV Z= 1.010113 lam= -0.010012
E( 3 )= -7.7465 eV Re[Sigma]= -18.849613 meV Im[Sigma]= 76.189580 meV Z= 1.006297 lam= -0.006257
E( 4 )= -5.2565 eV Re[Sigma]= 3.263702 meV Im[Sigma]= 108.409873 meV Z= 1.020209 lam= -0.019809
-------------------------------------------------------------------
ik = 163 coord.: 0.6666667 0.5000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.220657 meV Im[Sigma]= 56.067658 meV Z= 1.000168 lam= -0.000168
E( 2 )= -10.2664 eV Re[Sigma]= -12.333025 meV Im[Sigma]= 57.067849 meV Z= 1.000464 lam= -0.000464
E( 3 )= -7.2955 eV Re[Sigma]= -11.005125 meV Im[Sigma]= 83.964677 meV Z= 1.018399 lam= -0.018067
E( 4 )= -5.9070 eV Re[Sigma]= -4.796382 meV Im[Sigma]= 78.113053 meV Z= 1.002530 lam= -0.002523
-------------------------------------------------------------------
ik = 164 coord.: 0.6666667 0.5000000 0.1666667
-------------------------------------------------------------------
E( 1 )= -12.0052 eV Re[Sigma]= -24.871233 meV Im[Sigma]= 79.955618 meV Z= 1.015946 lam= -0.015696
E( 2 )= -11.7636 eV Re[Sigma]= -23.492479 meV Im[Sigma]= 75.575173 meV Z= 1.006779 lam= -0.006733
E( 3 )= -8.4117 eV Re[Sigma]= -8.339575 meV Im[Sigma]= 41.486917 meV Z= 0.992729 lam= 0.007325
E( 4 )= -7.0563 eV Re[Sigma]= -3.462811 meV Im[Sigma]= 78.068237 meV Z= 1.016948 lam= -0.016665
-------------------------------------------------------------------
ik = 165 coord.: 0.6666667 0.5000000 0.3333333
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.809480 meV Im[Sigma]= 61.804479 meV Z= 1.001409 lam= -0.001407
E( 2 )= -11.9153 eV Re[Sigma]= -4.747718 meV Im[Sigma]= 66.399436 meV Z= 1.009667 lam= -0.009575
E( 3 )= -7.7465 eV Re[Sigma]= -18.527305 meV Im[Sigma]= 76.768150 meV Z= 1.006441 lam= -0.006400
E( 4 )= -5.2565 eV Re[Sigma]= 1.744035 meV Im[Sigma]= 111.083202 meV Z= 1.020936 lam= -0.020507
-------------------------------------------------------------------
ik = 166 coord.: 0.6666667 0.5000000 0.5000000
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.206219 meV Im[Sigma]= 62.540325 meV Z= 1.004137 lam= -0.004120
E( 2 )= -12.4383 eV Re[Sigma]= -11.484256 meV Im[Sigma]= 65.234911 meV Z= 1.008652 lam= -0.008578
E( 3 )= -4.5379 eV Re[Sigma]= 12.755401 meV Im[Sigma]= 134.099566 meV Z= 1.018132 lam= -0.017809
E( 4 )= -3.8929 eV Re[Sigma]= 24.529450 meV Im[Sigma]= 142.417103 meV Z= 1.025045 lam= -0.024433
-------------------------------------------------------------------
ik = 167 coord.: 0.6666667 0.5000000 0.6666667
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.565619 meV Im[Sigma]= 68.248870 meV Z= 1.015118 lam= -0.014892
E( 2 )= -10.7517 eV Re[Sigma]= -7.255732 meV Im[Sigma]= 57.760815 meV Z= 1.005393 lam= -0.005364
E( 3 )= -5.2472 eV Re[Sigma]= 0.487657 meV Im[Sigma]= 121.321947 meV Z= 1.022860 lam= -0.022349
E( 4 )= -2.6593 eV Re[Sigma]= 70.741537 meV Im[Sigma]= 161.649531 meV Z= 1.042872 lam= -0.041110
-------------------------------------------------------------------
ik = 168 coord.: 0.6666667 0.5000000 0.8333333
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.721601 meV Im[Sigma]= 72.551039 meV Z= 1.014355 lam= -0.014152
E( 2 )= -8.9488 eV Re[Sigma]= -18.814550 meV Im[Sigma]= 49.833840 meV Z= 0.996140 lam= 0.003874
E( 3 )= -6.9060 eV Re[Sigma]= -4.489598 meV Im[Sigma]= 87.638784 meV Z= 1.015650 lam= -0.015409
E( 4 )= -3.9563 eV Re[Sigma]= 26.725286 meV Im[Sigma]= 142.115037 meV Z= 1.024787 lam= -0.024187
-------------------------------------------------------------------
ik = 169 coord.: 0.6666667 0.6666667 0.0000000
-------------------------------------------------------------------
E( 1 )= -17.3646 eV Re[Sigma]= -58.929337 meV Im[Sigma]= 42.127695 meV Z= 0.994716 lam= 0.005312
E( 2 )= -6.7590 eV Re[Sigma]= -15.655613 meV Im[Sigma]= 108.547965 meV Z= 1.011615 lam= -0.011482
E( 3 )= -5.2110 eV Re[Sigma]= 2.859846 meV Im[Sigma]= 106.353832 meV Z= 1.019113 lam= -0.018755
E( 4 )= -5.2110 eV Re[Sigma]= 2.859846 meV Im[Sigma]= 106.353832 meV Z= 1.019113 lam= -0.018755
-------------------------------------------------------------------
ik = 170 coord.: 0.6666667 0.6666667 0.1666667
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.305712 meV Im[Sigma]= 56.076404 meV Z= 1.000191 lam= -0.000191
E( 2 )= -10.2664 eV Re[Sigma]= -12.714302 meV Im[Sigma]= 56.833112 meV Z= 1.000355 lam= -0.000355
E( 3 )= -7.2955 eV Re[Sigma]= -10.546620 meV Im[Sigma]= 82.756633 meV Z= 1.018010 lam= -0.017692
E( 4 )= -5.9070 eV Re[Sigma]= -5.241488 meV Im[Sigma]= 80.026069 meV Z= 1.002837 lam= -0.002829
-------------------------------------------------------------------
ik = 171 coord.: 0.6666667 0.6666667 0.3333333
-------------------------------------------------------------------
E( 1 )= -13.7489 eV Re[Sigma]= -39.580751 meV Im[Sigma]= 60.622340 meV Z= 1.003811 lam= -0.003796
E( 2 )= -10.6632 eV Re[Sigma]= -15.301440 meV Im[Sigma]= 65.094621 meV Z= 1.006752 lam= -0.006707
E( 3 )= -9.4579 eV Re[Sigma]= 2.604592 meV Im[Sigma]= 39.545562 meV Z= 0.995880 lam= 0.004137
E( 4 )= -4.5555 eV Re[Sigma]= 12.355841 meV Im[Sigma]= 124.565228 meV Z= 1.016622 lam= -0.016350
-------------------------------------------------------------------
ik = 172 coord.: 0.6666667 0.6666667 0.5000000
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.622679 meV Im[Sigma]= 68.210900 meV Z= 1.015079 lam= -0.014855
E( 2 )= -10.7517 eV Re[Sigma]= -7.103528 meV Im[Sigma]= 57.853111 meV Z= 1.005376 lam= -0.005347
E( 3 )= -5.2472 eV Re[Sigma]= 1.340769 meV Im[Sigma]= 120.237123 meV Z= 1.022394 lam= -0.021904
E( 4 )= -2.6593 eV Re[Sigma]= 72.265047 meV Im[Sigma]= 163.896860 meV Z= 1.043274 lam= -0.041479
-------------------------------------------------------------------
ik = 173 coord.: 0.6666667 0.6666667 0.6666667
-------------------------------------------------------------------
E( 1 )= -18.3978 eV Re[Sigma]= -56.338237 meV Im[Sigma]= 40.534090 meV Z= 1.002330 lam= -0.002325
E( 2 )= -9.2191 eV Re[Sigma]= -13.643427 meV Im[Sigma]= 49.627677 meV Z= 0.997292 lam= 0.002716
E( 3 )= -2.0907 eV Re[Sigma]= 96.624229 meV Im[Sigma]= 145.978056 meV Z= 1.021935 lam= -0.021464
E( 4 )= -2.0907 eV Re[Sigma]= 96.624229 meV Im[Sigma]= 145.978056 meV Z= 1.021935 lam= -0.021464
-------------------------------------------------------------------
ik = 174 coord.: 0.6666667 0.6666667 0.8333333
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.014504 meV Im[Sigma]= 43.224156 meV Z= 1.007620 lam= -0.007563
E( 2 )= -6.9063 eV Re[Sigma]= -10.958743 meV Im[Sigma]= 102.189205 meV Z= 1.018021 lam= -0.017702
E( 3 )= -3.2910 eV Re[Sigma]= 47.272272 meV Im[Sigma]= 167.532091 meV Z= 1.035892 lam= -0.034648
E( 4 )= -2.6027 eV Re[Sigma]= 80.473928 meV Im[Sigma]= 167.237807 meV Z= 1.042447 lam= -0.040718
-------------------------------------------------------------------
ik = 175 coord.: 0.6666667 0.8333333 0.0000000
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.005755 meV Im[Sigma]= 43.009493 meV Z= 1.007519 lam= -0.007463
E( 2 )= -6.9063 eV Re[Sigma]= -10.493276 meV Im[Sigma]= 103.624613 meV Z= 1.018621 lam= -0.018280
E( 3 )= -3.2910 eV Re[Sigma]= 46.957273 meV Im[Sigma]= 163.847708 meV Z= 1.034365 lam= -0.033223
E( 4 )= -2.6027 eV Re[Sigma]= 80.525013 meV Im[Sigma]= 170.824886 meV Z= 1.043891 lam= -0.042046
-------------------------------------------------------------------
ik = 176 coord.: 0.6666667 0.8333333 0.1666667
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.836384 meV Im[Sigma]= 72.505883 meV Z= 1.014393 lam= -0.014189
E( 2 )= -8.9488 eV Re[Sigma]= -18.613493 meV Im[Sigma]= 50.530154 meV Z= 0.996385 lam= 0.003628
E( 3 )= -6.9060 eV Re[Sigma]= -4.879837 meV Im[Sigma]= 87.563575 meV Z= 1.015486 lam= -0.015250
E( 4 )= -3.9563 eV Re[Sigma]= 26.626169 meV Im[Sigma]= 143.147689 meV Z= 1.024969 lam= -0.024361
-------------------------------------------------------------------
ik = 177 coord.: 0.6666667 0.8333333 0.3333333
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.809427 meV Im[Sigma]= 61.804435 meV Z= 1.001409 lam= -0.001407
E( 2 )= -11.9153 eV Re[Sigma]= -4.747475 meV Im[Sigma]= 66.399561 meV Z= 1.009668 lam= -0.009575
E( 3 )= -7.7465 eV Re[Sigma]= -18.527594 meV Im[Sigma]= 76.767963 meV Z= 1.006441 lam= -0.006400
E( 4 )= -5.2565 eV Re[Sigma]= 1.744055 meV Im[Sigma]= 111.083276 meV Z= 1.020936 lam= -0.020507
-------------------------------------------------------------------
ik = 178 coord.: 0.6666667 0.8333333 0.5000000
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.836407 meV Im[Sigma]= 72.505886 meV Z= 1.014393 lam= -0.014189
E( 2 )= -8.9488 eV Re[Sigma]= -18.613766 meV Im[Sigma]= 50.530324 meV Z= 0.996385 lam= 0.003628
E( 3 )= -6.9060 eV Re[Sigma]= -4.879460 meV Im[Sigma]= 87.563512 meV Z= 1.015486 lam= -0.015250
E( 4 )= -3.9563 eV Re[Sigma]= 26.626159 meV Im[Sigma]= 143.148148 meV Z= 1.024969 lam= -0.024361
-------------------------------------------------------------------
ik = 179 coord.: 0.6666667 0.8333333 0.6666667
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.005816 meV Im[Sigma]= 43.009314 meV Z= 1.007519 lam= -0.007463
E( 2 )= -6.9063 eV Re[Sigma]= -10.493385 meV Im[Sigma]= 103.625098 meV Z= 1.018621 lam= -0.018280
E( 3 )= -3.2910 eV Re[Sigma]= 46.957203 meV Im[Sigma]= 163.846734 meV Z= 1.034365 lam= -0.033223
E( 4 )= -2.6027 eV Re[Sigma]= 80.524603 meV Im[Sigma]= 170.825027 meV Z= 1.043891 lam= -0.042046
-------------------------------------------------------------------
ik = 180 coord.: 0.6666667 0.8333333 0.8333333
-------------------------------------------------------------------
E( 1 )= -19.4313 eV Re[Sigma]= -66.035183 meV Im[Sigma]= 34.913017 meV Z= 1.000970 lam= -0.000969
E( 2 )= -5.3692 eV Re[Sigma]= -1.131581 meV Im[Sigma]= 135.237348 meV Z= 1.027487 lam= -0.026751
E( 3 )= -3.4193 eV Re[Sigma]= 47.454237 meV Im[Sigma]= 173.779401 meV Z= 1.035223 lam= -0.034025
E( 4 )= -0.9512 eV Re[Sigma]= 116.888636 meV Im[Sigma]= 86.617658 meV Z= 1.004789 lam= -0.004766
-------------------------------------------------------------------
ik = 181 coord.: 0.8333333 0.0000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -20.7958 eV Re[Sigma]= -65.523306 meV Im[Sigma]= 15.299347 meV Z= 0.997611 lam= 0.002394
E( 2 )= -2.5926 eV Re[Sigma]= 91.317364 meV Im[Sigma]= 184.016339 meV Z= 1.046154 lam= -0.044118
E( 3 )= -0.4527 eV Re[Sigma]= 133.606720 meV Im[Sigma]= 76.855242 meV Z= 1.002107 lam= -0.002102
E( 4 )= -0.4527 eV Re[Sigma]= 133.606720 meV Im[Sigma]= 76.855242 meV Z= 1.002107 lam= -0.002102
-------------------------------------------------------------------
ik = 182 coord.: 0.8333333 0.0000000 0.1666667
-------------------------------------------------------------------
E( 1 )= -19.4313 eV Re[Sigma]= -66.035171 meV Im[Sigma]= 34.912626 meV Z= 1.000969 lam= -0.000968
E( 2 )= -5.3692 eV Re[Sigma]= -1.131860 meV Im[Sigma]= 135.237187 meV Z= 1.027486 lam= -0.026751
E( 3 )= -3.4193 eV Re[Sigma]= 47.454510 meV Im[Sigma]= 173.779335 meV Z= 1.035223 lam= -0.034025
E( 4 )= -0.9512 eV Re[Sigma]= 116.888291 meV Im[Sigma]= 86.616930 meV Z= 1.004789 lam= -0.004766
-------------------------------------------------------------------
ik = 183 coord.: 0.8333333 0.0000000 0.3333333
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.622543 meV Im[Sigma]= 68.211099 meV Z= 1.015079 lam= -0.014855
E( 2 )= -10.7517 eV Re[Sigma]= -7.103320 meV Im[Sigma]= 57.852977 meV Z= 1.005375 lam= -0.005347
E( 3 )= -5.2472 eV Re[Sigma]= 1.340417 meV Im[Sigma]= 120.237392 meV Z= 1.022394 lam= -0.021904
E( 4 )= -2.6593 eV Re[Sigma]= 72.264943 meV Im[Sigma]= 163.896292 meV Z= 1.043274 lam= -0.041479
-------------------------------------------------------------------
ik = 184 coord.: 0.8333333 0.0000000 0.5000000
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.205867 meV Im[Sigma]= 62.540117 meV Z= 1.004137 lam= -0.004120
E( 2 )= -12.4383 eV Re[Sigma]= -11.484212 meV Im[Sigma]= 65.235163 meV Z= 1.008652 lam= -0.008578
E( 3 )= -4.5379 eV Re[Sigma]= 12.755310 meV Im[Sigma]= 134.099441 meV Z= 1.018132 lam= -0.017809
E( 4 )= -3.8929 eV Re[Sigma]= 24.529350 meV Im[Sigma]= 142.416424 meV Z= 1.025045 lam= -0.024433
-------------------------------------------------------------------
ik = 185 coord.: 0.8333333 0.0000000 0.6666667
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.014475 meV Im[Sigma]= 43.223939 meV Z= 1.007620 lam= -0.007563
E( 2 )= -6.9063 eV Re[Sigma]= -10.958583 meV Im[Sigma]= 102.189514 meV Z= 1.018021 lam= -0.017702
E( 3 )= -3.2910 eV Re[Sigma]= 47.272352 meV Im[Sigma]= 167.532207 meV Z= 1.035892 lam= -0.034648
E( 4 )= -2.6027 eV Re[Sigma]= 80.473854 meV Im[Sigma]= 167.235907 meV Z= 1.042446 lam= -0.040718
-------------------------------------------------------------------
ik = 186 coord.: 0.8333333 0.0000000 0.8333333
-------------------------------------------------------------------
E( 1 )= -20.5714 eV Re[Sigma]= -65.354340 meV Im[Sigma]= 17.272259 meV Z= 0.996894 lam= 0.003115
E( 2 )= -1.7294 eV Re[Sigma]= 116.919072 meV Im[Sigma]= 132.881842 meV Z= 1.010075 lam= -0.009975
E( 3 )= -1.5590 eV Re[Sigma]= 114.246495 meV Im[Sigma]= 113.310195 meV Z= 1.005604 lam= -0.005573
E( 4 )= -1.5590 eV Re[Sigma]= 114.246495 meV Im[Sigma]= 113.310195 meV Z= 1.005604 lam= -0.005573
-------------------------------------------------------------------
ik = 187 coord.: 0.8333333 0.1666667 0.0000000
-------------------------------------------------------------------
E( 1 )= -19.4313 eV Re[Sigma]= -66.084538 meV Im[Sigma]= 34.876987 meV Z= 1.000936 lam= -0.000935
E( 2 )= -5.3692 eV Re[Sigma]= -2.541549 meV Im[Sigma]= 135.933913 meV Z= 1.027848 lam= -0.027094
E( 3 )= -3.4193 eV Re[Sigma]= 47.612189 meV Im[Sigma]= 170.382998 meV Z= 1.033358 lam= -0.032281
E( 4 )= -0.9512 eV Re[Sigma]= 114.503221 meV Im[Sigma]= 85.834589 meV Z= 1.005285 lam= -0.005257
-------------------------------------------------------------------
ik = 188 coord.: 0.8333333 0.1666667 0.1666667
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.014544 meV Im[Sigma]= 43.223741 meV Z= 1.007620 lam= -0.007563
E( 2 )= -6.9063 eV Re[Sigma]= -10.958668 meV Im[Sigma]= 102.189323 meV Z= 1.018021 lam= -0.017702
E( 3 )= -3.2910 eV Re[Sigma]= 47.272525 meV Im[Sigma]= 167.532597 meV Z= 1.035892 lam= -0.034648
E( 4 )= -2.6027 eV Re[Sigma]= 80.473753 meV Im[Sigma]= 167.235591 meV Z= 1.042446 lam= -0.040718
-------------------------------------------------------------------
ik = 189 coord.: 0.8333333 0.1666667 0.3333333
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.836532 meV Im[Sigma]= 72.505749 meV Z= 1.014393 lam= -0.014189
E( 2 )= -8.9488 eV Re[Sigma]= -18.613560 meV Im[Sigma]= 50.530245 meV Z= 0.996385 lam= 0.003628
E( 3 )= -6.9060 eV Re[Sigma]= -4.879811 meV Im[Sigma]= 87.563691 meV Z= 1.015486 lam= -0.015250
E( 4 )= -3.9563 eV Re[Sigma]= 26.626472 meV Im[Sigma]= 143.147798 meV Z= 1.024969 lam= -0.024361
-------------------------------------------------------------------
ik = 190 coord.: 0.8333333 0.1666667 0.5000000
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.865668 meV Im[Sigma]= 61.529496 meV Z= 1.001109 lam= -0.001108
E( 2 )= -11.9153 eV Re[Sigma]= -4.501959 meV Im[Sigma]= 67.453471 meV Z= 1.010418 lam= -0.010311
E( 3 )= -7.7465 eV Re[Sigma]= -19.378275 meV Im[Sigma]= 76.057717 meV Z= 1.006225 lam= -0.006186
E( 4 )= -5.2565 eV Re[Sigma]= 2.810721 meV Im[Sigma]= 109.183573 meV Z= 1.020288 lam= -0.019885
-------------------------------------------------------------------
ik = 191 coord.: 0.8333333 0.1666667 0.6666667
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.721560 meV Im[Sigma]= 72.550722 meV Z= 1.014355 lam= -0.014152
E( 2 )= -8.9488 eV Re[Sigma]= -18.814357 meV Im[Sigma]= 49.833768 meV Z= 0.996141 lam= 0.003874
E( 3 )= -6.9060 eV Re[Sigma]= -4.489860 meV Im[Sigma]= 87.638646 meV Z= 1.015650 lam= -0.015409
E( 4 )= -3.9563 eV Re[Sigma]= 26.725242 meV Im[Sigma]= 142.114264 meV Z= 1.024786 lam= -0.024187
-------------------------------------------------------------------
ik = 192 coord.: 0.8333333 0.1666667 0.8333333
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.104024 meV Im[Sigma]= 43.283627 meV Z= 1.007631 lam= -0.007574
E( 2 )= -6.9063 eV Re[Sigma]= -11.692685 meV Im[Sigma]= 102.513129 meV Z= 1.017928 lam= -0.017613
E( 3 )= -3.2910 eV Re[Sigma]= 46.488452 meV Im[Sigma]= 163.654044 meV Z= 1.034583 lam= -0.033427
E( 4 )= -2.6027 eV Re[Sigma]= 80.229646 meV Im[Sigma]= 166.719969 meV Z= 1.042258 lam= -0.040545
-------------------------------------------------------------------
ik = 193 coord.: 0.8333333 0.3333333 0.0000000
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.636315 meV Im[Sigma]= 68.664284 meV Z= 1.015239 lam= -0.015010
E( 2 )= -10.7517 eV Re[Sigma]= -7.174213 meV Im[Sigma]= 57.646638 meV Z= 1.005261 lam= -0.005233
E( 3 )= -5.2472 eV Re[Sigma]= 1.807843 meV Im[Sigma]= 119.641044 meV Z= 1.022489 lam= -0.021995
E( 4 )= -2.6593 eV Re[Sigma]= 70.840744 meV Im[Sigma]= 161.383738 meV Z= 1.042851 lam= -0.041090
-------------------------------------------------------------------
ik = 194 coord.: 0.8333333 0.3333333 0.1666667
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.721640 meV Im[Sigma]= 72.550842 meV Z= 1.014355 lam= -0.014152
E( 2 )= -8.9488 eV Re[Sigma]= -18.814561 meV Im[Sigma]= 49.833795 meV Z= 0.996140 lam= 0.003874
E( 3 )= -6.9060 eV Re[Sigma]= -4.489428 meV Im[Sigma]= 87.638588 meV Z= 1.015650 lam= -0.015409
E( 4 )= -3.9563 eV Re[Sigma]= 26.725300 meV Im[Sigma]= 142.114560 meV Z= 1.024787 lam= -0.024187
-------------------------------------------------------------------
ik = 195 coord.: 0.8333333 0.3333333 0.3333333
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.305808 meV Im[Sigma]= 56.076450 meV Z= 1.000191 lam= -0.000191
E( 2 )= -10.2664 eV Re[Sigma]= -12.714468 meV Im[Sigma]= 56.833201 meV Z= 1.000355 lam= -0.000355
E( 3 )= -7.2955 eV Re[Sigma]= -10.546332 meV Im[Sigma]= 82.756648 meV Z= 1.018010 lam= -0.017692
E( 4 )= -5.9070 eV Re[Sigma]= -5.241375 meV Im[Sigma]= 80.026263 meV Z= 1.002837 lam= -0.002829
-------------------------------------------------------------------
ik = 196 coord.: 0.8333333 0.3333333 0.5000000
-------------------------------------------------------------------
E( 1 )= -12.0052 eV Re[Sigma]= -24.871049 meV Im[Sigma]= 79.955673 meV Z= 1.015947 lam= -0.015696
E( 2 )= -11.7636 eV Re[Sigma]= -23.492437 meV Im[Sigma]= 75.575184 meV Z= 1.006779 lam= -0.006733
E( 3 )= -8.4117 eV Re[Sigma]= -8.339534 meV Im[Sigma]= 41.486844 meV Z= 0.992729 lam= 0.007325
E( 4 )= -7.0563 eV Re[Sigma]= -3.462838 meV Im[Sigma]= 78.068628 meV Z= 1.016948 lam= -0.016666
-------------------------------------------------------------------
ik = 197 coord.: 0.8333333 0.3333333 0.6666667
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.541242 meV Im[Sigma]= 61.500552 meV Z= 1.001087 lam= -0.001085
E( 2 )= -11.9153 eV Re[Sigma]= -4.455106 meV Im[Sigma]= 66.906118 meV Z= 1.010113 lam= -0.010012
E( 3 )= -7.7465 eV Re[Sigma]= -18.849569 meV Im[Sigma]= 76.189640 meV Z= 1.006297 lam= -0.006257
E( 4 )= -5.2565 eV Re[Sigma]= 3.263710 meV Im[Sigma]= 108.409959 meV Z= 1.020209 lam= -0.019809
-------------------------------------------------------------------
ik = 198 coord.: 0.8333333 0.3333333 0.8333333
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -39.865800 meV Im[Sigma]= 63.144420 meV Z= 1.004350 lam= -0.004331
E( 2 )= -12.4383 eV Re[Sigma]= -11.545290 meV Im[Sigma]= 65.717206 meV Z= 1.008844 lam= -0.008767
E( 3 )= -4.5379 eV Re[Sigma]= 13.060504 meV Im[Sigma]= 133.533071 meV Z= 1.018110 lam= -0.017788
E( 4 )= -3.8929 eV Re[Sigma]= 24.408559 meV Im[Sigma]= 139.504510 meV Z= 1.024600 lam= -0.024010
-------------------------------------------------------------------
ik = 199 coord.: 0.8333333 0.5000000 0.0000000
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -39.865657 meV Im[Sigma]= 63.144268 meV Z= 1.004350 lam= -0.004331
E( 2 )= -12.4383 eV Re[Sigma]= -11.545262 meV Im[Sigma]= 65.717295 meV Z= 1.008844 lam= -0.008767
E( 3 )= -4.5379 eV Re[Sigma]= 13.059983 meV Im[Sigma]= 133.533260 meV Z= 1.018110 lam= -0.017788
E( 4 )= -3.8929 eV Re[Sigma]= 24.409107 meV Im[Sigma]= 139.504724 meV Z= 1.024600 lam= -0.024010
-------------------------------------------------------------------
ik = 200 coord.: 0.8333333 0.5000000 0.1666667
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.541239 meV Im[Sigma]= 61.500589 meV Z= 1.001087 lam= -0.001085
E( 2 )= -11.9153 eV Re[Sigma]= -4.455145 meV Im[Sigma]= 66.906140 meV Z= 1.010113 lam= -0.010012
E( 3 )= -7.7465 eV Re[Sigma]= -18.849436 meV Im[Sigma]= 76.189537 meV Z= 1.006297 lam= -0.006257
E( 4 )= -5.2565 eV Re[Sigma]= 3.263773 meV Im[Sigma]= 108.410261 meV Z= 1.020209 lam= -0.019809
-------------------------------------------------------------------
ik = 201 coord.: 0.8333333 0.5000000 0.3333333
-------------------------------------------------------------------
E( 1 )= -12.0052 eV Re[Sigma]= -24.871233 meV Im[Sigma]= 79.955714 meV Z= 1.015947 lam= -0.015696
E( 2 )= -11.7636 eV Re[Sigma]= -23.492547 meV Im[Sigma]= 75.575059 meV Z= 1.006779 lam= -0.006733
E( 3 )= -8.4117 eV Re[Sigma]= -8.339600 meV Im[Sigma]= 41.487088 meV Z= 0.992729 lam= 0.007325
E( 4 )= -7.0563 eV Re[Sigma]= -3.462706 meV Im[Sigma]= 78.068265 meV Z= 1.016948 lam= -0.016666
-------------------------------------------------------------------
ik = 202 coord.: 0.8333333 0.5000000 0.5000000
-------------------------------------------------------------------
E( 1 )= -14.5793 eV Re[Sigma]= -37.305648 meV Im[Sigma]= 56.076649 meV Z= 1.000191 lam= -0.000191
E( 2 )= -10.2664 eV Re[Sigma]= -12.714344 meV Im[Sigma]= 56.833080 meV Z= 1.000355 lam= -0.000355
E( 3 )= -7.2955 eV Re[Sigma]= -10.546422 meV Im[Sigma]= 82.756655 meV Z= 1.018010 lam= -0.017692
E( 4 )= -5.9070 eV Re[Sigma]= -5.241659 meV Im[Sigma]= 80.026713 meV Z= 1.002837 lam= -0.002829
-------------------------------------------------------------------
ik = 203 coord.: 0.8333333 0.5000000 0.6666667
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.721559 meV Im[Sigma]= 72.551095 meV Z= 1.014355 lam= -0.014152
E( 2 )= -8.9488 eV Re[Sigma]= -18.814508 meV Im[Sigma]= 49.833863 meV Z= 0.996140 lam= 0.003874
E( 3 )= -6.9060 eV Re[Sigma]= -4.489608 meV Im[Sigma]= 87.638592 meV Z= 1.015650 lam= -0.015409
E( 4 )= -3.9563 eV Re[Sigma]= 26.725481 meV Im[Sigma]= 142.115746 meV Z= 1.024787 lam= -0.024187
-------------------------------------------------------------------
ik = 204 coord.: 0.8333333 0.5000000 0.8333333
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.636198 meV Im[Sigma]= 68.664136 meV Z= 1.015239 lam= -0.015010
E( 2 )= -10.7517 eV Re[Sigma]= -7.174369 meV Im[Sigma]= 57.646581 meV Z= 1.005261 lam= -0.005233
E( 3 )= -5.2472 eV Re[Sigma]= 1.807719 meV Im[Sigma]= 119.641535 meV Z= 1.022489 lam= -0.021995
E( 4 )= -2.6593 eV Re[Sigma]= 70.840783 meV Im[Sigma]= 161.384277 meV Z= 1.042851 lam= -0.041091
-------------------------------------------------------------------
ik = 205 coord.: 0.8333333 0.6666667 0.0000000
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.104095 meV Im[Sigma]= 43.283786 meV Z= 1.007631 lam= -0.007574
E( 2 )= -6.9063 eV Re[Sigma]= -11.692729 meV Im[Sigma]= 102.513269 meV Z= 1.017928 lam= -0.017613
E( 3 )= -3.2910 eV Re[Sigma]= 46.488413 meV Im[Sigma]= 163.655121 meV Z= 1.034584 lam= -0.033428
E( 4 )= -2.6027 eV Re[Sigma]= 80.229658 meV Im[Sigma]= 166.720622 meV Z= 1.042259 lam= -0.040545
-------------------------------------------------------------------
ik = 206 coord.: 0.8333333 0.6666667 0.1666667
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.721534 meV Im[Sigma]= 72.551000 meV Z= 1.014355 lam= -0.014152
E( 2 )= -8.9488 eV Re[Sigma]= -18.814208 meV Im[Sigma]= 49.833774 meV Z= 0.996140 lam= 0.003874
E( 3 )= -6.9060 eV Re[Sigma]= -4.489638 meV Im[Sigma]= 87.638406 meV Z= 1.015650 lam= -0.015409
E( 4 )= -3.9563 eV Re[Sigma]= 26.725445 meV Im[Sigma]= 142.115645 meV Z= 1.024787 lam= -0.024187
-------------------------------------------------------------------
ik = 207 coord.: 0.8333333 0.6666667 0.3333333
-------------------------------------------------------------------
E( 1 )= -13.5072 eV Re[Sigma]= -42.865656 meV Im[Sigma]= 61.529573 meV Z= 1.001109 lam= -0.001108
E( 2 )= -11.9153 eV Re[Sigma]= -4.501827 meV Im[Sigma]= 67.453297 meV Z= 1.010418 lam= -0.010311
E( 3 )= -7.7465 eV Re[Sigma]= -19.378530 meV Im[Sigma]= 76.057680 meV Z= 1.006225 lam= -0.006186
E( 4 )= -5.2565 eV Re[Sigma]= 2.810767 meV Im[Sigma]= 109.183667 meV Z= 1.020288 lam= -0.019885
-------------------------------------------------------------------
ik = 208 coord.: 0.8333333 0.6666667 0.5000000
-------------------------------------------------------------------
E( 1 )= -16.2688 eV Re[Sigma]= -48.836415 meV Im[Sigma]= 72.506035 meV Z= 1.014393 lam= -0.014189
E( 2 )= -8.9488 eV Re[Sigma]= -18.613538 meV Im[Sigma]= 50.530228 meV Z= 0.996385 lam= 0.003628
E( 3 )= -6.9060 eV Re[Sigma]= -4.880015 meV Im[Sigma]= 87.563858 meV Z= 1.015486 lam= -0.015250
E( 4 )= -3.9563 eV Re[Sigma]= 26.626231 meV Im[Sigma]= 143.148090 meV Z= 1.024969 lam= -0.024361
-------------------------------------------------------------------
ik = 209 coord.: 0.8333333 0.6666667 0.6666667
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.014589 meV Im[Sigma]= 43.224182 meV Z= 1.007620 lam= -0.007563
E( 2 )= -6.9063 eV Re[Sigma]= -10.958741 meV Im[Sigma]= 102.189000 meV Z= 1.018021 lam= -0.017702
E( 3 )= -3.2910 eV Re[Sigma]= 47.272301 meV Im[Sigma]= 167.533476 meV Z= 1.035892 lam= -0.034648
E( 4 )= -2.6027 eV Re[Sigma]= 80.474070 meV Im[Sigma]= 167.236893 meV Z= 1.042447 lam= -0.040718
-------------------------------------------------------------------
ik = 210 coord.: 0.8333333 0.6666667 0.8333333
-------------------------------------------------------------------
E( 1 )= -19.4313 eV Re[Sigma]= -66.084707 meV Im[Sigma]= 34.877168 meV Z= 1.000936 lam= -0.000935
E( 2 )= -5.3692 eV Re[Sigma]= -2.541648 meV Im[Sigma]= 135.933989 meV Z= 1.027848 lam= -0.027094
E( 3 )= -3.4193 eV Re[Sigma]= 47.611915 meV Im[Sigma]= 170.384634 meV Z= 1.033358 lam= -0.032281
E( 4 )= -0.9512 eV Re[Sigma]= 114.503465 meV Im[Sigma]= 85.834943 meV Z= 1.005285 lam= -0.005257
-------------------------------------------------------------------
ik = 211 coord.: 0.8333333 0.8333333 0.0000000
-------------------------------------------------------------------
E( 1 )= -20.5714 eV Re[Sigma]= -65.354388 meV Im[Sigma]= 17.272230 meV Z= 0.996894 lam= 0.003115
E( 2 )= -1.7294 eV Re[Sigma]= 116.918943 meV Im[Sigma]= 132.881641 meV Z= 1.010075 lam= -0.009975
E( 3 )= -1.5590 eV Re[Sigma]= 114.246796 meV Im[Sigma]= 113.310557 meV Z= 1.005604 lam= -0.005573
E( 4 )= -1.5590 eV Re[Sigma]= 114.246796 meV Im[Sigma]= 113.310557 meV Z= 1.005604 lam= -0.005573
-------------------------------------------------------------------
ik = 212 coord.: 0.8333333 0.8333333 0.1666667
-------------------------------------------------------------------
E( 1 )= -18.6527 eV Re[Sigma]= -59.014525 meV Im[Sigma]= 43.224028 meV Z= 1.007620 lam= -0.007563
E( 2 )= -6.9063 eV Re[Sigma]= -10.958495 meV Im[Sigma]= 102.189037 meV Z= 1.018021 lam= -0.017702
E( 3 )= -3.2910 eV Re[Sigma]= 47.272340 meV Im[Sigma]= 167.532044 meV Z= 1.035892 lam= -0.034648
E( 4 )= -2.6027 eV Re[Sigma]= 80.474081 meV Im[Sigma]= 167.236457 meV Z= 1.042446 lam= -0.040718
-------------------------------------------------------------------
ik = 213 coord.: 0.8333333 0.8333333 0.3333333
-------------------------------------------------------------------
E( 1 )= -15.5565 eV Re[Sigma]= -40.205909 meV Im[Sigma]= 62.540412 meV Z= 1.004137 lam= -0.004120
E( 2 )= -12.4383 eV Re[Sigma]= -11.484212 meV Im[Sigma]= 65.234935 meV Z= 1.008652 lam= -0.008578
E( 3 )= -4.5379 eV Re[Sigma]= 12.755555 meV Im[Sigma]= 134.099412 meV Z= 1.018132 lam= -0.017809
E( 4 )= -3.8929 eV Re[Sigma]= 24.529224 meV Im[Sigma]= 142.416574 meV Z= 1.025045 lam= -0.024433
-------------------------------------------------------------------
ik = 214 coord.: 0.8333333 0.8333333 0.5000000
-------------------------------------------------------------------
E( 1 )= -16.6105 eV Re[Sigma]= -54.622417 meV Im[Sigma]= 68.210739 meV Z= 1.015079 lam= -0.014855
E( 2 )= -10.7517 eV Re[Sigma]= -7.103277 meV Im[Sigma]= 57.853041 meV Z= 1.005375 lam= -0.005347
E( 3 )= -5.2472 eV Re[Sigma]= 1.340644 meV Im[Sigma]= 120.237626 meV Z= 1.022394 lam= -0.021904
E( 4 )= -2.6593 eV Re[Sigma]= 72.264969 meV Im[Sigma]= 163.896979 meV Z= 1.043274 lam= -0.041479
-------------------------------------------------------------------
ik = 215 coord.: 0.8333333 0.8333333 0.6666667
-------------------------------------------------------------------
E( 1 )= -19.4313 eV Re[Sigma]= -66.035177 meV Im[Sigma]= 34.912856 meV Z= 1.000969 lam= -0.000969
E( 2 )= -5.3692 eV Re[Sigma]= -1.132036 meV Im[Sigma]= 135.237950 meV Z= 1.027487 lam= -0.026751
E( 3 )= -3.4193 eV Re[Sigma]= 47.454319 meV Im[Sigma]= 173.778434 meV Z= 1.035223 lam= -0.034025
E( 4 )= -0.9512 eV Re[Sigma]= 116.888456 meV Im[Sigma]= 86.617015 meV Z= 1.004789 lam= -0.004766
-------------------------------------------------------------------
ik = 216 coord.: 0.8333333 0.8333333 0.8333333
-------------------------------------------------------------------
E( 1 )= -20.7958 eV Re[Sigma]= -65.523340 meV Im[Sigma]= 15.299338 meV Z= 0.997611 lam= 0.002394
E( 2 )= -2.5926 eV Re[Sigma]= 91.317728 meV Im[Sigma]= 184.016639 meV Z= 1.046154 lam= -0.044118
E( 3 )= -0.4527 eV Re[Sigma]= 133.606734 meV Im[Sigma]= 76.855214 meV Z= 1.002107 lam= -0.002102
E( 4 )= -0.4527 eV Re[Sigma]= 133.606734 meV Im[Sigma]= 76.855214 meV Z= 1.002107 lam= -0.002102
-------------------------------------------------------------------
1 1 -21.5330 -64.6732 6.8120 0.9934 0.0067
2 1 -20.7958 -65.5233 15.2992 0.9976 0.0024
3 1 -18.3978 -56.3382 40.5340 1.0023 -0.0023
4 1 -15.6077 -40.9649 59.5740 1.0048 -0.0047
5 1 -18.3978 -56.3381 40.5340 1.0023 -0.0023
6 1 -20.7958 -65.5233 15.2993 0.9976 0.0024
7 1 -20.7958 -65.4852 15.4072 0.9977 0.0023
8 1 -20.5714 -65.3543 17.2722 0.9969 0.0031
9 1 -18.6527 -59.0057 43.0091 1.0075 -0.0075
10 1 -15.5565 -40.2231 63.2864 1.0046 -0.0046
11 1 -16.6105 -54.5655 68.2487 1.0151 -0.0149
12 1 -19.4313 -66.0845 34.8769 1.0009 -0.0009
13 1 -18.3978 -56.5801 40.5535 1.0023 -0.0023
14 1 -18.6527 -59.1040 43.2836 1.0076 -0.0076
15 1 -17.3646 -58.9294 42.1274 0.9947 0.0053
16 1 -14.5793 -37.5073 56.0534 1.0002 -0.0002
17 1 -13.7489 -39.5254 60.3290 1.0035 -0.0035
18 1 -16.6105 -54.6364 68.6642 1.0152 -0.0150
19 1 -15.6077 -40.4538 58.9374 1.0042 -0.0042
20 1 -15.5565 -39.8658 63.1445 1.0043 -0.0043
21 1 -14.5793 -37.2207 56.0675 1.0002 -0.0002
22 1 -12.8708 -28.9972 63.1416 1.0005 -0.0005
23 1 -14.5793 -37.2205 56.0676 1.0002 -0.0002
24 1 -15.5565 -39.8657 63.1443 1.0043 -0.0043
25 1 -18.3978 -56.5800 40.5538 1.0023 -0.0023
26 1 -16.6105 -54.6362 68.6640 1.0152 -0.0150
27 1 -13.7489 -39.5255 60.3290 1.0035 -0.0035
28 1 -14.5793 -37.5071 56.0535 1.0002 -0.0002
29 1 -17.3646 -58.9292 42.1279 0.9947 0.0053
30 1 -18.6527 -59.1041 43.2840 1.0076 -0.0076
31 1 -20.7958 -65.4854 15.4072 0.9977 0.0023
32 1 -19.4313 -66.0847 34.8770 1.0009 -0.0009
33 1 -16.6105 -54.5656 68.2490 1.0151 -0.0149
34 1 -15.5565 -40.2230 63.2862 1.0046 -0.0046
35 1 -18.6527 -59.0057 43.0094 1.0075 -0.0075
36 1 -20.5714 -65.3544 17.2722 0.9969 0.0031
37 1 -20.7958 -65.5233 15.2993 0.9976 0.0024
38 1 -20.5714 -65.3544 17.2722 0.9969 0.0031
39 1 -18.6527 -59.0145 43.2239 1.0076 -0.0076
40 1 -15.5565 -40.2060 62.5404 1.0041 -0.0041
41 1 -16.6105 -54.6225 68.2108 1.0151 -0.0149
42 1 -19.4313 -66.0351 34.9126 1.0010 -0.0010
43 1 -20.5714 -65.3543 17.2722 0.9969 0.0031
44 1 -20.7958 -65.5233 15.2993 0.9976 0.0024
45 1 -19.4313 -66.0351 34.9127 1.0010 -0.0010
46 1 -16.6105 -54.6224 68.2110 1.0151 -0.0149
47 1 -15.5565 -40.2060 62.5402 1.0041 -0.0041
48 1 -18.6527 -59.0145 43.2237 1.0076 -0.0076
49 1 -18.6527 -59.1040 43.2836 1.0076 -0.0076
50 1 -19.4313 -66.0845 34.8769 1.0009 -0.0009
51 1 -18.6527 -59.0145 43.2237 1.0076 -0.0076
52 1 -16.2688 -48.8364 72.5056 1.0144 -0.0142
53 1 -13.5072 -42.8657 61.5295 1.0011 -0.0011
54 1 -16.2688 -48.7216 72.5508 1.0144 -0.0142
55 1 -15.5565 -39.8659 63.1446 1.0043 -0.0043
56 1 -16.6105 -54.6363 68.6643 1.0152 -0.0150
57 1 -16.2688 -48.7216 72.5507 1.0144 -0.0142
58 1 -14.5793 -37.3058 56.0764 1.0002 -0.0002
59 1 -12.0052 -24.8711 79.9556 1.0159 -0.0157
60 1 -13.5072 -42.5413 61.5006 1.0011 -0.0011
61 1 -16.6105 -54.6362 68.6642 1.0152 -0.0150
62 1 -15.5565 -39.8658 63.1441 1.0043 -0.0043
63 1 -13.5072 -42.5414 61.5005 1.0011 -0.0011
64 1 -12.0052 -24.8712 79.9559 1.0159 -0.0157
65 1 -14.5793 -37.3056 56.0764 1.0002 -0.0002
66 1 -16.2688 -48.7215 72.5510 1.0144 -0.0142
67 1 -19.4313 -66.0847 34.8771 1.0009 -0.0009
68 1 -18.6527 -59.1041 43.2836 1.0076 -0.0076
69 1 -16.2688 -48.7217 72.5508 1.0144 -0.0142
70 1 -13.5072 -42.8656 61.5296 1.0011 -0.0011
71 1 -16.2688 -48.8363 72.5060 1.0144 -0.0142
72 1 -18.6527 -59.0145 43.2242 1.0076 -0.0076
73 1 -18.3978 -56.3382 40.5340 1.0023 -0.0023
74 1 -18.6527 -59.0145 43.2239 1.0076 -0.0076
75 1 -17.3646 -58.9294 42.1274 0.9947 0.0053
76 1 -14.5793 -37.3058 56.0765 1.0002 -0.0002
77 1 -13.7489 -39.5807 60.6223 1.0038 -0.0038
78 1 -16.6105 -54.6225 68.2110 1.0151 -0.0149
79 1 -18.6527 -59.0057 43.0091 1.0075 -0.0075
80 1 -19.4313 -66.0351 34.9127 1.0010 -0.0010
81 1 -18.6527 -59.0057 43.0093 1.0075 -0.0075
82 1 -16.2688 -48.8363 72.5057 1.0144 -0.0142
83 1 -13.5072 -42.8094 61.8044 1.0014 -0.0014
84 1 -16.2688 -48.8365 72.5057 1.0144 -0.0142
85 1 -17.3646 -58.9294 42.1274 0.9947 0.0053
86 1 -18.6527 -59.0145 43.2237 1.0076 -0.0076
87 1 -18.3978 -56.3381 40.5341 1.0023 -0.0023
88 1 -16.6105 -54.6224 68.2107 1.0151 -0.0149
89 1 -13.7489 -39.5807 60.6223 1.0038 -0.0038
90 1 -14.5793 -37.3059 56.0764 1.0002 -0.0002
91 1 -14.5793 -37.2208 56.0675 1.0002 -0.0002
92 1 -16.2688 -48.7217 72.5507 1.0144 -0.0142
93 1 -16.6105 -54.5655 68.2486 1.0151 -0.0149
94 1 -15.5565 -40.2061 62.5400 1.0041 -0.0041
95 1 -13.5072 -42.8095 61.8045 1.0014 -0.0014
96 1 -12.0052 -24.8713 79.9558 1.0159 -0.0157
97 1 -13.7489 -39.5254 60.3290 1.0035 -0.0035
98 1 -13.5072 -42.5413 61.5007 1.0011 -0.0011
99 1 -13.7489 -39.5254 60.3290 1.0035 -0.0035
100 1 -13.5072 -42.8657 61.5295 1.0011 -0.0011
101 1 -13.7489 -39.5807 60.6223 1.0038 -0.0038
102 1 -13.5072 -42.8656 61.5296 1.0011 -0.0011
103 1 -16.6105 -54.5656 68.2489 1.0151 -0.0149
104 1 -16.2688 -48.7217 72.5508 1.0144 -0.0142
105 1 -14.5793 -37.2208 56.0677 1.0002 -0.0002
106 1 -12.0052 -24.8711 79.9556 1.0159 -0.0157
107 1 -13.5072 -42.8095 61.8045 1.0014 -0.0014
108 1 -15.5565 -40.2060 62.5404 1.0041 -0.0041
109 1 -15.6077 -40.9650 59.5740 1.0048 -0.0047
110 1 -15.5565 -40.2060 62.5403 1.0041 -0.0041
111 1 -14.5793 -37.3058 56.0765 1.0002 -0.0002
112 1 -12.8708 -28.9970 63.1415 1.0005 -0.0005
113 1 -14.5793 -37.3057 56.0764 1.0002 -0.0002
114 1 -15.5565 -40.2059 62.5401 1.0041 -0.0041
115 1 -15.5565 -40.2232 63.2863 1.0046 -0.0046
116 1 -16.6105 -54.6224 68.2109 1.0151 -0.0149
117 1 -16.2688 -48.8364 72.5057 1.0144 -0.0142
118 1 -14.5793 -37.5073 56.0534 1.0002 -0.0002
119 1 -12.0052 -24.8711 79.9555 1.0159 -0.0157
120 1 -13.5072 -42.8657 61.5295 1.0011 -0.0011
121 1 -14.5793 -37.5074 56.0534 1.0002 -0.0002
122 1 -16.2688 -48.8364 72.5056 1.0144 -0.0142
123 1 -16.6105 -54.6224 68.2107 1.0151 -0.0149
124 1 -15.5565 -40.2231 63.2860 1.0046 -0.0046
125 1 -13.5072 -42.8657 61.5295 1.0011 -0.0011
126 1 -12.0052 -24.8712 79.9557 1.0159 -0.0157
127 1 -12.8708 -28.9974 63.1417 1.0005 -0.0005
128 1 -14.5793 -37.3058 56.0764 1.0002 -0.0002
129 1 -15.5565 -40.2061 62.5400 1.0041 -0.0041
130 1 -15.6077 -40.9654 59.5736 1.0048 -0.0047
131 1 -15.5565 -40.2062 62.5403 1.0041 -0.0041
132 1 -14.5793 -37.3058 56.0765 1.0002 -0.0002
133 1 -14.5793 -37.5072 56.0533 1.0002 -0.0002
134 1 -12.0052 -24.8713 79.9557 1.0159 -0.0157
135 1 -13.5072 -42.8657 61.5296 1.0011 -0.0011
136 1 -15.5565 -40.2234 63.2862 1.0046 -0.0046
137 1 -16.6105 -54.6226 68.2110 1.0151 -0.0149
138 1 -16.2688 -48.8363 72.5060 1.0144 -0.0142
139 1 -15.5565 -40.2231 63.2863 1.0046 -0.0046
140 1 -13.5072 -42.8657 61.5296 1.0011 -0.0011
141 1 -12.0052 -24.8711 79.9558 1.0159 -0.0157
142 1 -14.5793 -37.5072 56.0536 1.0002 -0.0002
143 1 -16.2688 -48.8364 72.5058 1.0144 -0.0142
144 1 -16.6105 -54.6224 68.2110 1.0151 -0.0149
145 1 -18.3978 -56.3381 40.5341 1.0023 -0.0023
146 1 -16.6105 -54.6226 68.2108 1.0151 -0.0149
147 1 -13.7489 -39.5808 60.6223 1.0038 -0.0038
148 1 -14.5793 -37.3056 56.0765 1.0002 -0.0002
149 1 -17.3646 -58.9293 42.1277 0.9947 0.0053
150 1 -18.6527 -59.0145 43.2239 1.0076 -0.0076
151 1 -16.6105 -54.5655 68.2487 1.0151 -0.0149
152 1 -15.5565 -40.2060 62.5401 1.0041 -0.0041
153 1 -13.5072 -42.8095 61.8044 1.0014 -0.0014
154 1 -12.0052 -24.8710 79.9556 1.0159 -0.0157
155 1 -14.5793 -37.2205 56.0675 1.0002 -0.0002
156 1 -16.2688 -48.7216 72.5507 1.0144 -0.0142
157 1 -13.7489 -39.5254 60.3290 1.0035 -0.0035
158 1 -13.5072 -42.8657 61.5295 1.0011 -0.0011
159 1 -13.7489 -39.5807 60.6223 1.0038 -0.0038
160 1 -13.5072 -42.8657 61.5297 1.0011 -0.0011
161 1 -13.7489 -39.5254 60.3290 1.0035 -0.0035
162 1 -13.5072 -42.5412 61.5006 1.0011 -0.0011
163 1 -14.5793 -37.2207 56.0677 1.0002 -0.0002
164 1 -12.0052 -24.8712 79.9556 1.0159 -0.0157
165 1 -13.5072 -42.8095 61.8045 1.0014 -0.0014
166 1 -15.5565 -40.2062 62.5403 1.0041 -0.0041
167 1 -16.6105 -54.5656 68.2489 1.0151 -0.0149
168 1 -16.2688 -48.7216 72.5510 1.0144 -0.0142
169 1 -17.3646 -58.9293 42.1277 0.9947 0.0053
170 1 -14.5793 -37.3057 56.0764 1.0002 -0.0002
171 1 -13.7489 -39.5808 60.6223 1.0038 -0.0038
172 1 -16.6105 -54.6227 68.2109 1.0151 -0.0149
173 1 -18.3978 -56.3382 40.5341 1.0023 -0.0023
174 1 -18.6527 -59.0145 43.2242 1.0076 -0.0076
175 1 -18.6527 -59.0058 43.0095 1.0075 -0.0075
176 1 -16.2688 -48.8364 72.5059 1.0144 -0.0142
177 1 -13.5072 -42.8094 61.8044 1.0014 -0.0014
178 1 -16.2688 -48.8364 72.5059 1.0144 -0.0142
179 1 -18.6527 -59.0058 43.0093 1.0075 -0.0075
180 1 -19.4313 -66.0352 34.9130 1.0010 -0.0010
181 1 -20.7958 -65.5233 15.2993 0.9976 0.0024
182 1 -19.4313 -66.0352 34.9126 1.0010 -0.0010
183 1 -16.6105 -54.6225 68.2111 1.0151 -0.0149
184 1 -15.5565 -40.2059 62.5401 1.0041 -0.0041
185 1 -18.6527 -59.0145 43.2239 1.0076 -0.0076
186 1 -20.5714 -65.3543 17.2723 0.9969 0.0031
187 1 -19.4313 -66.0845 34.8770 1.0009 -0.0009
188 1 -18.6527 -59.0145 43.2237 1.0076 -0.0076
189 1 -16.2688 -48.8365 72.5057 1.0144 -0.0142
190 1 -13.5072 -42.8657 61.5295 1.0011 -0.0011
191 1 -16.2688 -48.7216 72.5507 1.0144 -0.0142
192 1 -18.6527 -59.1040 43.2836 1.0076 -0.0076
193 1 -16.6105 -54.6363 68.6643 1.0152 -0.0150
194 1 -16.2688 -48.7216 72.5508 1.0144 -0.0142
195 1 -14.5793 -37.3058 56.0764 1.0002 -0.0002
196 1 -12.0052 -24.8710 79.9557 1.0159 -0.0157
197 1 -13.5072 -42.5412 61.5006 1.0011 -0.0011
198 1 -15.5565 -39.8658 63.1444 1.0043 -0.0043
199 1 -15.5565 -39.8657 63.1443 1.0043 -0.0043
200 1 -13.5072 -42.5412 61.5006 1.0011 -0.0011
201 1 -12.0052 -24.8712 79.9557 1.0159 -0.0157
202 1 -14.5793 -37.3056 56.0766 1.0002 -0.0002
203 1 -16.2688 -48.7216 72.5511 1.0144 -0.0142
204 1 -16.6105 -54.6362 68.6641 1.0152 -0.0150
205 1 -18.6527 -59.1041 43.2838 1.0076 -0.0076
206 1 -16.2688 -48.7215 72.5510 1.0144 -0.0142
207 1 -13.5072 -42.8657 61.5296 1.0011 -0.0011
208 1 -16.2688 -48.8364 72.5060 1.0144 -0.0142
209 1 -18.6527 -59.0146 43.2242 1.0076 -0.0076
210 1 -19.4313 -66.0847 34.8772 1.0009 -0.0009
211 1 -20.5714 -65.3544 17.2722 0.9969 0.0031
212 1 -18.6527 -59.0145 43.2240 1.0076 -0.0076
213 1 -15.5565 -40.2059 62.5404 1.0041 -0.0041
214 1 -16.6105 -54.6224 68.2107 1.0151 -0.0149
215 1 -19.4313 -66.0352 34.9129 1.0010 -0.0010
216 1 -20.7958 -65.5233 15.2993 0.9976 0.0024
1 2 0.3145 144.0799 42.0249 0.9828 0.0175
2 2 -2.5926 91.3175 184.0158 1.0462 -0.0441
3 2 -9.2191 -13.6433 49.6277 0.9973 0.0027
4 2 -14.0678 -10.0555 62.4582 1.0036 -0.0036
5 2 -9.2191 -13.6433 49.6276 0.9973 0.0027
6 2 -2.5926 91.3173 184.0162 1.0462 -0.0441
7 2 -2.5926 90.7708 187.3151 1.0476 -0.0454
8 2 -1.7294 116.9190 132.8819 1.0101 -0.0100
9 2 -6.9063 -10.4932 103.6249 1.0186 -0.0183
10 2 -12.4383 -11.3370 65.6211 1.0087 -0.0086
11 2 -10.7517 -7.2557 57.7609 1.0054 -0.0054
12 2 -5.3692 -2.5414 135.9335 1.0278 -0.0271
13 2 -9.2191 -14.1274 49.3777 0.9971 0.0029
14 2 -6.9063 -11.6928 102.5131 1.0179 -0.0176
15 2 -6.7590 -15.6558 108.5481 1.0116 -0.0115
16 2 -10.2664 -12.7694 57.1682 1.0004 -0.0004
17 2 -10.6632 -14.9284 64.8479 1.0067 -0.0067
18 2 -10.7517 -7.1741 57.6467 1.0053 -0.0052
19 2 -14.0678 -10.7797 63.2227 1.0041 -0.0041
20 2 -12.4383 -11.5454 65.7171 1.0088 -0.0088
21 2 -10.2664 -12.3331 57.0679 1.0005 -0.0005
22 2 -11.9934 -20.8050 78.3147 1.0124 -0.0123
23 2 -10.2664 -12.3330 57.0679 1.0005 -0.0005
24 2 -12.4383 -11.5454 65.7174 1.0088 -0.0088
25 2 -9.2191 -14.1276 49.3777 0.9971 0.0029
26 2 -10.7517 -7.1742 57.6467 1.0053 -0.0052
27 2 -10.6632 -14.9285 64.8480 1.0067 -0.0067
28 2 -10.2664 -12.7694 57.1683 1.0004 -0.0004
29 2 -6.7590 -15.6554 108.5480 1.0116 -0.0115
30 2 -6.9063 -11.6930 102.5134 1.0179 -0.0176
31 2 -2.5926 90.7707 187.3149 1.0476 -0.0454
32 2 -5.3692 -2.5412 135.9335 1.0278 -0.0271
33 2 -10.7517 -7.2555 57.7608 1.0054 -0.0054
34 2 -12.4383 -11.3369 65.6210 1.0087 -0.0086
35 2 -6.9063 -10.4933 103.6246 1.0186 -0.0183
36 2 -1.7294 116.9190 132.8818 1.0101 -0.0100
37 2 -2.5926 91.3174 184.0158 1.0462 -0.0441
38 2 -1.7294 116.9190 132.8820 1.0101 -0.0100
39 2 -6.9063 -10.9585 102.1892 1.0180 -0.0177
40 2 -12.4383 -11.4843 65.2350 1.0087 -0.0086
41 2 -10.7517 -7.1033 57.8531 1.0054 -0.0053
42 2 -5.3692 -1.1318 135.2372 1.0275 -0.0268
43 2 -1.7294 116.9190 132.8818 1.0101 -0.0100
44 2 -2.5926 91.3173 184.0163 1.0462 -0.0441
45 2 -5.3692 -1.1317 135.2370 1.0275 -0.0268
46 2 -10.7517 -7.1034 57.8532 1.0054 -0.0053
47 2 -12.4383 -11.4841 65.2351 1.0087 -0.0086
48 2 -6.9063 -10.9586 102.1891 1.0180 -0.0177
49 2 -6.9063 -11.6928 102.5132 1.0179 -0.0176
50 2 -5.3692 -2.5413 135.9336 1.0278 -0.0271
51 2 -6.9063 -10.9585 102.1892 1.0180 -0.0177
52 2 -8.9488 -18.6136 50.5302 0.9964 0.0036
53 2 -11.9153 -4.5020 67.4534 1.0104 -0.0103
54 2 -8.9488 -18.8144 49.8338 0.9961 0.0039
55 2 -12.4383 -11.5453 65.7172 1.0088 -0.0088
56 2 -10.7517 -7.1742 57.6466 1.0053 -0.0052
57 2 -8.9488 -18.8145 49.8338 0.9961 0.0039
58 2 -10.2664 -12.7144 56.8331 1.0004 -0.0004
59 2 -11.7636 -23.4924 75.5751 1.0068 -0.0067
60 2 -11.9153 -4.4551 66.9062 1.0101 -0.0100
61 2 -10.7517 -7.1743 57.6467 1.0053 -0.0052
62 2 -12.4383 -11.5453 65.7174 1.0088 -0.0088
63 2 -11.9153 -4.4551 66.9061 1.0101 -0.0100
64 2 -11.7636 -23.4924 75.5751 1.0068 -0.0067
65 2 -10.2664 -12.7143 56.8331 1.0004 -0.0004
66 2 -8.9488 -18.8144 49.8338 0.9961 0.0039
67 2 -5.3692 -2.5415 135.9337 1.0278 -0.0271
68 2 -6.9063 -11.6928 102.5132 1.0179 -0.0176
69 2 -8.9488 -18.8145 49.8338 0.9961 0.0039
70 2 -11.9153 -4.5020 67.4533 1.0104 -0.0103
71 2 -8.9488 -18.6135 50.5302 0.9964 0.0036
72 2 -6.9063 -10.9584 102.1891 1.0180 -0.0177
73 2 -9.2191 -13.6433 49.6277 0.9973 0.0027
74 2 -6.9063 -10.9585 102.1893 1.0180 -0.0177
75 2 -6.7590 -15.6558 108.5480 1.0116 -0.0115
76 2 -10.2664 -12.7144 56.8331 1.0004 -0.0004
77 2 -10.6632 -15.3014 65.0945 1.0068 -0.0067
78 2 -10.7517 -7.1034 57.8531 1.0054 -0.0053
79 2 -6.9063 -10.4932 103.6250 1.0186 -0.0183
80 2 -5.3692 -1.1317 135.2371 1.0275 -0.0268
81 2 -6.9063 -10.4933 103.6246 1.0186 -0.0183
82 2 -8.9488 -18.6136 50.5301 0.9964 0.0036
83 2 -11.9153 -4.7477 66.3995 1.0097 -0.0096
84 2 -8.9488 -18.6135 50.5302 0.9964 0.0036
85 2 -6.7590 -15.6558 108.5481 1.0116 -0.0115
86 2 -6.9063 -10.9585 102.1892 1.0180 -0.0177
87 2 -9.2191 -13.6433 49.6277 0.9973 0.0027
88 2 -10.7517 -7.1035 57.8532 1.0054 -0.0053
89 2 -10.6632 -15.3015 65.0945 1.0068 -0.0067
90 2 -10.2664 -12.7145 56.8332 1.0004 -0.0004
91 2 -10.2664 -12.3332 57.0679 1.0005 -0.0005
92 2 -8.9488 -18.8144 49.8338 0.9961 0.0039
93 2 -10.7517 -7.2557 57.7609 1.0054 -0.0054
94 2 -12.4383 -11.4843 65.2351 1.0087 -0.0086
95 2 -11.9153 -4.7477 66.3995 1.0097 -0.0096
96 2 -11.7636 -23.4925 75.5751 1.0068 -0.0067
97 2 -10.6632 -14.9285 64.8479 1.0067 -0.0067
98 2 -11.9153 -4.4551 66.9062 1.0101 -0.0100
99 2 -10.6632 -14.9285 64.8479 1.0067 -0.0067
100 2 -11.9153 -4.5020 67.4533 1.0104 -0.0103
101 2 -10.6632 -15.3014 65.0945 1.0068 -0.0067
102 2 -11.9153 -4.5018 67.4532 1.0104 -0.0103
103 2 -10.7517 -7.2557 57.7608 1.0054 -0.0054
104 2 -8.9488 -18.8146 49.8338 0.9961 0.0039
105 2 -10.2664 -12.3332 57.0679 1.0005 -0.0005
106 2 -11.7636 -23.4924 75.5751 1.0068 -0.0067
107 2 -11.9153 -4.7476 66.3995 1.0097 -0.0096
108 2 -12.4383 -11.4842 65.2350 1.0087 -0.0086
109 2 -14.0678 -10.0555 62.4581 1.0036 -0.0036
110 2 -12.4383 -11.4844 65.2349 1.0087 -0.0086
111 2 -10.2664 -12.7144 56.8331 1.0004 -0.0004
112 2 -11.9934 -20.8050 78.3150 1.0124 -0.0123
113 2 -10.2664 -12.7144 56.8332 1.0004 -0.0004
114 2 -12.4383 -11.4844 65.2351 1.0087 -0.0086
115 2 -12.4383 -11.3370 65.6211 1.0087 -0.0086
116 2 -10.7517 -7.1035 57.8531 1.0054 -0.0053
117 2 -8.9488 -18.6136 50.5302 0.9964 0.0036
118 2 -10.2664 -12.7694 57.1682 1.0004 -0.0004
119 2 -11.7636 -23.4925 75.5753 1.0068 -0.0067
120 2 -11.9153 -4.5020 67.4534 1.0104 -0.0103
121 2 -10.2664 -12.7694 57.1682 1.0004 -0.0004
122 2 -8.9488 -18.6135 50.5302 0.9964 0.0036
123 2 -10.7517 -7.1035 57.8531 1.0054 -0.0053
124 2 -12.4383 -11.3370 65.6210 1.0087 -0.0086
125 2 -11.9153 -4.5019 67.4532 1.0104 -0.0103
126 2 -11.7636 -23.4925 75.5751 1.0068 -0.0067
127 2 -11.9934 -20.8051 78.3148 1.0124 -0.0123
128 2 -10.2664 -12.7144 56.8332 1.0004 -0.0004
129 2 -12.4383 -11.4843 65.2352 1.0087 -0.0086
130 2 -14.0678 -10.0554 62.4582 1.0036 -0.0036
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132 2 -10.2664 -12.7144 56.8331 1.0004 -0.0004
133 2 -10.2664 -12.7693 57.1682 1.0004 -0.0004
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136 2 -12.4383 -11.3371 65.6211 1.0087 -0.0086
137 2 -10.7517 -7.1035 57.8531 1.0054 -0.0053
138 2 -8.9488 -18.6134 50.5301 0.9964 0.0036
139 2 -12.4383 -11.3369 65.6210 1.0087 -0.0086
140 2 -11.9153 -4.5020 67.4533 1.0104 -0.0103
141 2 -11.7636 -23.4925 75.5752 1.0068 -0.0067
142 2 -10.2664 -12.7693 57.1682 1.0004 -0.0004
143 2 -8.9488 -18.6135 50.5302 0.9964 0.0036
144 2 -10.7517 -7.1034 57.8531 1.0054 -0.0053
145 2 -9.2191 -13.6434 49.6277 0.9973 0.0027
146 2 -10.7517 -7.1035 57.8532 1.0054 -0.0053
147 2 -10.6632 -15.3014 65.0946 1.0068 -0.0067
148 2 -10.2664 -12.7144 56.8333 1.0004 -0.0004
149 2 -6.7590 -15.6556 108.5478 1.0116 -0.0115
150 2 -6.9063 -10.9588 102.1894 1.0180 -0.0177
151 2 -10.7517 -7.2558 57.7609 1.0054 -0.0054
152 2 -12.4383 -11.4843 65.2351 1.0087 -0.0086
153 2 -11.9153 -4.7478 66.3995 1.0097 -0.0096
154 2 -11.7636 -23.4925 75.5752 1.0068 -0.0067
155 2 -10.2664 -12.3331 57.0679 1.0005 -0.0005
156 2 -8.9488 -18.8146 49.8339 0.9961 0.0039
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158 2 -11.9153 -4.5020 67.4534 1.0104 -0.0103
159 2 -10.6632 -15.3015 65.0945 1.0068 -0.0067
160 2 -11.9153 -4.5019 67.4533 1.0104 -0.0103
161 2 -10.6632 -14.9285 64.8479 1.0067 -0.0067
162 2 -11.9153 -4.4551 66.9061 1.0101 -0.0100
163 2 -10.2664 -12.3330 57.0678 1.0005 -0.0005
164 2 -11.7636 -23.4925 75.5752 1.0068 -0.0067
165 2 -11.9153 -4.7477 66.3994 1.0097 -0.0096
166 2 -12.4383 -11.4843 65.2349 1.0087 -0.0086
167 2 -10.7517 -7.2557 57.7608 1.0054 -0.0054
168 2 -8.9488 -18.8145 49.8338 0.9961 0.0039
169 2 -6.7590 -15.6556 108.5480 1.0116 -0.0115
170 2 -10.2664 -12.7143 56.8331 1.0004 -0.0004
171 2 -10.6632 -15.3014 65.0946 1.0068 -0.0067
172 2 -10.7517 -7.1035 57.8531 1.0054 -0.0053
173 2 -9.2191 -13.6434 49.6277 0.9973 0.0027
174 2 -6.9063 -10.9587 102.1892 1.0180 -0.0177
175 2 -6.9063 -10.4933 103.6246 1.0186 -0.0183
176 2 -8.9488 -18.6135 50.5302 0.9964 0.0036
177 2 -11.9153 -4.7475 66.3996 1.0097 -0.0096
178 2 -8.9488 -18.6138 50.5303 0.9964 0.0036
179 2 -6.9063 -10.4934 103.6251 1.0186 -0.0183
180 2 -5.3692 -1.1316 135.2373 1.0275 -0.0268
181 2 -2.5926 91.3174 184.0163 1.0462 -0.0441
182 2 -5.3692 -1.1319 135.2372 1.0275 -0.0268
183 2 -10.7517 -7.1033 57.8530 1.0054 -0.0053
184 2 -12.4383 -11.4842 65.2352 1.0087 -0.0086
185 2 -6.9063 -10.9586 102.1895 1.0180 -0.0177
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79 3 -3.2910 46.9573 163.8467 1.0344 -0.0332
80 3 -3.4193 47.4544 173.7789 1.0352 -0.0340
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66 4 -3.9563 26.7252 142.1144 1.0248 -0.0242
67 4 -0.9512 114.5032 85.8351 1.0053 -0.0053
68 4 -2.6027 80.2296 166.7207 1.0423 -0.0405
69 4 -3.9563 26.7253 142.1145 1.0248 -0.0242
70 4 -5.2565 2.8109 109.1839 1.0203 -0.0199
71 4 -3.9563 26.6263 143.1483 1.0250 -0.0244
72 4 -2.6027 80.4740 167.2363 1.0424 -0.0407
73 4 -2.0907 96.6241 145.9772 1.0219 -0.0215
74 4 -2.6027 80.4738 167.2357 1.0424 -0.0407
75 4 -5.2110 2.8603 106.3534 1.0191 -0.0188
76 4 -5.9070 -5.2415 80.0263 1.0028 -0.0028
77 4 -4.5555 12.3560 124.5651 1.0166 -0.0164
78 4 -2.6593 72.2650 163.8962 1.0433 -0.0415
79 4 -2.6027 80.5249 170.8245 1.0439 -0.0420
80 4 -0.9512 116.8881 86.6170 1.0048 -0.0048
81 4 -2.6027 80.5251 170.8244 1.0439 -0.0420
82 4 -3.9563 26.6263 143.1476 1.0250 -0.0244
83 4 -5.2565 1.7440 111.0831 1.0209 -0.0205
84 4 -3.9563 26.6264 143.1477 1.0250 -0.0244
85 4 -5.2110 2.8603 106.3535 1.0191 -0.0188
86 4 -2.6027 80.4740 167.2355 1.0424 -0.0407
87 4 -2.0907 96.6241 145.9770 1.0219 -0.0215
88 4 -2.6593 72.2650 163.8961 1.0433 -0.0415
89 4 -4.5555 12.3559 124.5650 1.0166 -0.0164
90 4 -5.9070 -5.2414 80.0262 1.0028 -0.0028
91 4 -5.9070 -4.7961 78.1126 1.0025 -0.0025
92 4 -3.9563 26.7254 142.1144 1.0248 -0.0242
93 4 -2.6593 70.7415 161.6486 1.0429 -0.0411
94 4 -3.8929 24.5292 142.4166 1.0250 -0.0244
95 4 -5.2565 1.7441 111.0831 1.0209 -0.0205
96 4 -7.0563 -3.4628 78.0682 1.0169 -0.0167
97 4 -4.5555 11.6756 121.2768 1.0159 -0.0157
98 4 -5.2565 3.2636 108.4098 1.0202 -0.0198
99 4 -4.5555 11.6756 121.2767 1.0159 -0.0157
100 4 -5.2565 2.8108 109.1836 1.0203 -0.0199
101 4 -4.5555 12.3560 124.5650 1.0166 -0.0164
102 4 -5.2565 2.8108 109.1835 1.0203 -0.0199
103 4 -2.6593 70.7414 161.6485 1.0429 -0.0411
104 4 -3.9563 26.7254 142.1147 1.0248 -0.0242
105 4 -5.9070 -4.7960 78.1127 1.0025 -0.0025
106 4 -7.0563 -3.4628 78.0682 1.0169 -0.0167
107 4 -5.2565 1.7441 111.0831 1.0209 -0.0205
108 4 -3.8929 24.5293 142.4167 1.0250 -0.0244
109 4 -2.9614 54.1486 173.0183 1.0458 -0.0438
110 4 -3.8929 24.5293 142.4165 1.0250 -0.0244
111 4 -5.9070 -5.2415 80.0262 1.0028 -0.0028
112 4 -6.9896 -4.1867 70.0025 1.0147 -0.0145
113 4 -5.9070 -5.2414 80.0260 1.0028 -0.0028
114 4 -3.8929 24.5293 142.4163 1.0250 -0.0244
115 4 -3.8929 24.2472 140.5281 1.0248 -0.0242
116 4 -2.6593 72.2649 163.8961 1.0433 -0.0415
117 4 -3.9563 26.6264 143.1473 1.0250 -0.0244
118 4 -5.9070 -5.7627 78.3098 1.0027 -0.0027
119 4 -7.0563 -3.4628 78.0681 1.0169 -0.0167
120 4 -5.2565 2.8107 109.1835 1.0203 -0.0199
121 4 -5.9070 -5.7628 78.3102 1.0027 -0.0027
122 4 -3.9563 26.6264 143.1474 1.0250 -0.0244
123 4 -2.6593 72.2650 163.8961 1.0433 -0.0415
124 4 -3.8929 24.2473 140.5284 1.0248 -0.0242
125 4 -5.2565 2.8108 109.1837 1.0203 -0.0199
126 4 -7.0563 -3.4628 78.0682 1.0169 -0.0167
127 4 -6.9896 -4.1868 70.0024 1.0147 -0.0145
128 4 -5.9070 -5.2414 80.0258 1.0028 -0.0028
129 4 -3.8929 24.5293 142.4165 1.0250 -0.0244
130 4 -2.9614 54.1488 173.0188 1.0458 -0.0438
131 4 -3.8929 24.5294 142.4166 1.0250 -0.0244
132 4 -5.9070 -5.2414 80.0262 1.0028 -0.0028
133 4 -5.9070 -5.7631 78.3101 1.0027 -0.0027
134 4 -7.0563 -3.4627 78.0680 1.0169 -0.0167
135 4 -5.2565 2.8108 109.1836 1.0203 -0.0199
136 4 -3.8929 24.2475 140.5282 1.0248 -0.0242
137 4 -2.6593 72.2651 163.8973 1.0433 -0.0415
138 4 -3.9563 26.6263 143.1484 1.0250 -0.0244
139 4 -3.8929 24.2475 140.5280 1.0248 -0.0242
140 4 -5.2565 2.8109 109.1836 1.0203 -0.0199
141 4 -7.0563 -3.4627 78.0683 1.0169 -0.0167
142 4 -5.9070 -5.7629 78.3103 1.0027 -0.0027
143 4 -3.9563 26.6263 143.1474 1.0250 -0.0244
144 4 -2.6593 72.2651 163.8969 1.0433 -0.0415
145 4 -2.0907 96.6242 145.9775 1.0219 -0.0215
146 4 -2.6593 72.2650 163.8965 1.0433 -0.0415
147 4 -4.5555 12.3558 124.5650 1.0166 -0.0164
148 4 -5.9070 -5.2415 80.0261 1.0028 -0.0028
149 4 -5.2110 2.8599 106.3538 1.0191 -0.0188
150 4 -2.6027 80.4739 167.2358 1.0424 -0.0407
151 4 -2.6593 70.7412 161.6489 1.0429 -0.0411
152 4 -3.8929 24.5295 142.4169 1.0250 -0.0244
153 4 -5.2565 1.7442 111.0836 1.0209 -0.0205
154 4 -7.0563 -3.4629 78.0683 1.0169 -0.0167
155 4 -5.9070 -4.7964 78.1128 1.0025 -0.0025
156 4 -3.9563 26.7252 142.1147 1.0248 -0.0242
157 4 -4.5555 11.6756 121.2767 1.0159 -0.0157
158 4 -5.2565 2.8108 109.1835 1.0203 -0.0199
159 4 -4.5555 12.3559 124.5650 1.0166 -0.0164
160 4 -5.2565 2.8108 109.1838 1.0203 -0.0199
161 4 -4.5555 11.6756 121.2768 1.0159 -0.0157
162 4 -5.2565 3.2637 108.4099 1.0202 -0.0198
163 4 -5.9070 -4.7964 78.1131 1.0025 -0.0025
164 4 -7.0563 -3.4628 78.0682 1.0169 -0.0167
165 4 -5.2565 1.7440 111.0832 1.0209 -0.0205
166 4 -3.8929 24.5295 142.4171 1.0250 -0.0244
167 4 -2.6593 70.7415 161.6495 1.0429 -0.0411
168 4 -3.9563 26.7253 142.1150 1.0248 -0.0242
169 4 -5.2110 2.8598 106.3538 1.0191 -0.0188
170 4 -5.9070 -5.2415 80.0261 1.0028 -0.0028
171 4 -4.5555 12.3558 124.5652 1.0166 -0.0164
172 4 -2.6593 72.2650 163.8969 1.0433 -0.0415
173 4 -2.0907 96.6242 145.9781 1.0219 -0.0215
174 4 -2.6027 80.4739 167.2378 1.0424 -0.0407
175 4 -2.6027 80.5250 170.8249 1.0439 -0.0420
176 4 -3.9563 26.6262 143.1477 1.0250 -0.0244
177 4 -5.2565 1.7441 111.0833 1.0209 -0.0205
178 4 -3.9563 26.6262 143.1481 1.0250 -0.0244
179 4 -2.6027 80.5246 170.8250 1.0439 -0.0420
180 4 -0.9512 116.8886 86.6177 1.0048 -0.0048
181 4 -0.4527 133.6067 76.8552 1.0021 -0.0021
182 4 -0.9512 116.8883 86.6169 1.0048 -0.0048
183 4 -2.6593 72.2649 163.8963 1.0433 -0.0415
184 4 -3.8929 24.5293 142.4164 1.0250 -0.0244
185 4 -2.6027 80.4739 167.2359 1.0424 -0.0407
186 4 -1.5590 114.2465 113.3102 1.0056 -0.0056
187 4 -0.9512 114.5032 85.8346 1.0053 -0.0053
188 4 -2.6027 80.4738 167.2356 1.0424 -0.0407
189 4 -3.9563 26.6265 143.1478 1.0250 -0.0244
190 4 -5.2565 2.8107 109.1836 1.0203 -0.0199
191 4 -3.9563 26.7252 142.1143 1.0248 -0.0242
192 4 -2.6027 80.2296 166.7200 1.0423 -0.0405
193 4 -2.6593 70.8407 161.3837 1.0429 -0.0411
194 4 -3.9563 26.7253 142.1146 1.0248 -0.0242
195 4 -5.9070 -5.2414 80.0263 1.0028 -0.0028
196 4 -7.0563 -3.4628 78.0686 1.0169 -0.0167
197 4 -5.2565 3.2637 108.4100 1.0202 -0.0198
198 4 -3.8929 24.4086 139.5045 1.0246 -0.0240
199 4 -3.8929 24.4091 139.5047 1.0246 -0.0240
200 4 -5.2565 3.2638 108.4103 1.0202 -0.0198
201 4 -7.0563 -3.4627 78.0683 1.0169 -0.0167
202 4 -5.9070 -5.2417 80.0267 1.0028 -0.0028
203 4 -3.9563 26.7255 142.1157 1.0248 -0.0242
204 4 -2.6593 70.8408 161.3843 1.0429 -0.0411
205 4 -2.6027 80.2297 166.7206 1.0423 -0.0405
206 4 -3.9563 26.7254 142.1156 1.0248 -0.0242
207 4 -5.2565 2.8108 109.1837 1.0203 -0.0199
208 4 -3.9563 26.6262 143.1481 1.0250 -0.0244
209 4 -2.6027 80.4741 167.2369 1.0424 -0.0407
210 4 -0.9512 114.5035 85.8349 1.0053 -0.0053
211 4 -1.5590 114.2468 113.3106 1.0056 -0.0056
212 4 -2.6027 80.4741 167.2365 1.0424 -0.0407
213 4 -3.8929 24.5292 142.4166 1.0250 -0.0244
214 4 -2.6593 72.2650 163.8970 1.0433 -0.0415
215 4 -0.9512 116.8885 86.6170 1.0048 -0.0048
216 4 -0.4527 133.6067 76.8552 1.0021 -0.0021
Unfolding on the coarse grid
elphon_wrap : 41.92s CPU 21.06s WALL ( 1 calls)
INITIALIZATION:
init_vloc : 0.04s CPU 0.02s WALL ( 29 calls)
init_us_1 : 0.90s CPU 0.45s WALL ( 29 calls)
Electron-Phonon interpolation
ephwann : 7.69s CPU 3.87s WALL ( 1 calls)
ep-interp : 7.47s CPU 3.77s WALL ( 216 calls)
Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls)
Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls)
ep: step 1 : 0.00s CPU 0.00s WALL ( 162 calls)
ep: step 2 : 0.06s CPU 0.03s WALL ( 162 calls)
DynW2B : 0.01s CPU 0.01s WALL ( 216 calls)
HamW2B : 3.04s CPU 1.54s WALL ( 93744 calls)
ephW2Bp : 0.11s CPU 0.06s WALL ( 216 calls)
Total program execution
EPW : 55.77s CPU 28.02s WALL
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