mirror of https://gitlab.com/QEF/q-e.git
2848 lines
197 KiB
Plaintext
2848 lines
197 KiB
Plaintext
|
|
``:oss/
|
|
`.+s+. .+ys--yh+ `./ss+.
|
|
-sh//yy+` +yy +yy -+h+-oyy
|
|
-yh- .oyy/.-sh. .syo-.:sy- /yh
|
|
`.-.` `yh+ -oyyyo. `/syys: oys `.`
|
|
`/+ssys+-` `sh+ ` oys` .:osyo`
|
|
-yh- ./syyooyo` .sys+/oyo--yh/
|
|
`yy+ .-:-. `-/+/:` -sh-
|
|
/yh. oys
|
|
``..---hho---------` .---------..` `.-----.` -hd+---.
|
|
`./osmNMMMMMMMMMMMMMMMs. +NNMMMMMMMMNNmh+. yNMMMMMNm- oNMMMMMNmo++:`
|
|
+sy--/sdMMMhyyyyyyyNMMh- .oyNMMmyyyyyhNMMm+` -yMMMdyyo:` .oyyNMMNhs+syy`
|
|
-yy/ /MMM+.`-+/``mMMy- `mMMh:`````.dMMN:` `MMMy-`-dhhy```mMMy:``+hs
|
|
-yy+` /MMMo:-mMM+`-oo/. mMMh: `dMMN/` dMMm:`dMMMMy..MMMo-.+yo`
|
|
.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,
|
|
Comput. Phys. Commun. 209, 116 (2016)
|
|
|
|
|
|
Program EPW v.5.0.0 starts on 11Oct2018 at 15:20: 6
|
|
|
|
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);
|
|
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
|
|
URL http://www.quantum-espresso.org",
|
|
in publications or presentations arising from this work. More details at
|
|
http://www.quantum-espresso.org/quote
|
|
|
|
Parallel version (MPI), running on 1 processors
|
|
|
|
MPI processes distributed on 1 nodes
|
|
|
|
Reading data from directory:
|
|
./sic.save/
|
|
|
|
IMPORTANT: XC functional enforced from input :
|
|
Exchange-correlation = PZ ( 1 1 0 0 0 0)
|
|
Any further DFT definition will be discarded
|
|
Please, verify this is what you really want
|
|
|
|
file C.UPF: wavefunction(s) 3d renormalized
|
|
|
|
G-vector sticks info
|
|
--------------------
|
|
sticks: dense smooth PW G-vecs: dense smooth PW
|
|
Sum 187 187 73 1687 1687 387
|
|
|
|
|
|
--
|
|
|
|
bravais-lattice index = 2
|
|
lattice parameter (a_0) = 8.2370 a.u.
|
|
unit-cell volume = 139.7163 (a.u.)^3
|
|
number of atoms/cell = 2
|
|
number of atomic types = 2
|
|
kinetic-energy cut-off = 20.0000 Ry
|
|
charge density cut-off = 80.0000 Ry
|
|
convergence threshold = 0.0E+00
|
|
beta = 0.0000
|
|
number of iterations used = 0
|
|
Exchange-correlation = PZ ( 1 1 0 0 0 0)
|
|
|
|
|
|
celldm(1)= 8.23700 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 Si 28.0879 tau( 1) = ( 0.00000 0.00000 0.00000 )
|
|
2 C 12.0118 tau( 2) = ( 0.25000 0.25000 0.25000 )
|
|
|
|
25 Sym.Ops. (with q -> -q+G )
|
|
|
|
|
|
G cutoff = 137.4891 ( 1687 G-vectors) FFT grid: ( 18, 18, 18)
|
|
number of k points= 27
|
|
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
|
|
|
|
PseudoPot. # 1 for Si read from file:
|
|
./Si.pz-vbc.UPF
|
|
MD5 check sum: 6dfa03ddd5817404712e03e4d12deb78
|
|
Pseudo is Norm-conserving, Zval = 4.0
|
|
Generated by new atomic code, or converted to UPF format
|
|
Using radial grid of 431 points, 2 beta functions with:
|
|
l(1) = 0
|
|
l(2) = 1
|
|
|
|
PseudoPot. # 2 for C read from file:
|
|
./C.UPF
|
|
MD5 check sum: 4781e8ce5ee01a432381f51d0ea25c53
|
|
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 : 0.05s CPU 0.06s WALL
|
|
|
|
EPW : 0.08s CPU 0.09s 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 ( 8)
|
|
- Number of total bands is ( 8)
|
|
- Number of excluded bands is ( 0)
|
|
- 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):
|
|
|
|
( 0.16068 0.16068 0.16068) : 0.89056
|
|
( 0.16068 -0.16068 -0.16068) : 0.89056
|
|
( -0.16068 0.16068 -0.16068) : 0.89056
|
|
( -0.16068 -0.16068 0.16068) : 0.89056
|
|
|
|
-------------------------------------------------------------------
|
|
WANNIER : 1.34s CPU 1.35s WALL ( 1 calls)
|
|
-------------------------------------------------------------------
|
|
|
|
Dipole matrix elements calculated
|
|
|
|
|
|
Calculating kmap and kgmap
|
|
Progress kmap: ###########################
|
|
Progress kgmap: ########################################
|
|
kmaps : 0.09s CPU 0.09s WALL ( 1 calls)
|
|
Symmetries of bravais lattice: 48
|
|
Symmetries of crystal: 24
|
|
|
|
|
|
===================================================================
|
|
irreducible q point # 1
|
|
===================================================================
|
|
|
|
Symmetries of small group of q: 24
|
|
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
|
|
Read dielectric tensor and effective charges
|
|
|
|
q( 1 ) = ( 0.0000000 0.0000000 0.0000000 )
|
|
|
|
|
|
===================================================================
|
|
irreducible q point # 2
|
|
===================================================================
|
|
|
|
Symmetries of small group of q: 6
|
|
|
|
Number of q in the star = 4
|
|
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
|
|
In addition there is the -q list:
|
|
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
|
|
|
|
q( 2 ) = ( -0.3333333 0.3333333 -0.3333333 )
|
|
|
|
q( 3 ) = ( 0.3333333 -0.3333333 0.3333333 )
|
|
q( 4 ) = ( 0.3333333 0.3333333 0.3333333 )
|
|
q( 5 ) = ( -0.3333333 -0.3333333 -0.3333333 )
|
|
q( 6 ) = ( 0.3333333 -0.3333333 -0.3333333 )
|
|
q( 7 ) = ( -0.3333333 0.3333333 0.3333333 )
|
|
q( 8 ) = ( -0.3333333 -0.3333333 0.3333333 )
|
|
q( 9 ) = ( 0.3333333 0.3333333 -0.3333333 )
|
|
|
|
|
|
===================================================================
|
|
irreducible q point # 3
|
|
===================================================================
|
|
|
|
Symmetries of small group of q: 4
|
|
|
|
Number of q in the star = 6
|
|
List of q in the star:
|
|
1 0.000000000 0.666666667 0.000000000
|
|
2 0.000000000 0.000000000 -0.666666667
|
|
3 -0.666666667 0.000000000 0.000000000
|
|
4 0.666666667 0.000000000 0.000000000
|
|
5 0.000000000 -0.666666667 0.000000000
|
|
6 0.000000000 0.000000000 0.666666667
|
|
|
|
q( 10 ) = ( 0.0000000 0.6666667 0.0000000 )
|
|
q( 11 ) = ( 0.0000000 0.0000000 -0.6666667 )
|
|
q( 12 ) = ( -0.6666667 0.0000000 0.0000000 )
|
|
q( 13 ) = ( 0.6666667 0.0000000 0.0000000 )
|
|
q( 14 ) = ( 0.0000000 -0.6666667 0.0000000 )
|
|
q( 15 ) = ( 0.0000000 0.0000000 0.6666667 )
|
|
|
|
|
|
===================================================================
|
|
irreducible q point # 4
|
|
===================================================================
|
|
|
|
Symmetries of small group of q: 2
|
|
|
|
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 -0.666666667 0.000000000
|
|
4 0.000000000 -0.666666667 0.666666667
|
|
5 0.000000000 -0.666666667 -0.666666667
|
|
6 -0.666666667 0.000000000 0.666666667
|
|
7 0.666666667 0.666666667 0.000000000
|
|
8 -0.666666667 -0.666666667 0.000000000
|
|
9 -0.666666667 0.666666667 0.000000000
|
|
10 0.666666667 0.000000000 -0.666666667
|
|
11 0.000000000 0.666666667 0.666666667
|
|
12 0.000000000 0.666666667 -0.666666667
|
|
|
|
q( 16 ) = ( 0.6666667 0.0000000 0.6666667 )
|
|
q( 17 ) = ( -0.6666667 0.0000000 -0.6666667 )
|
|
q( 18 ) = ( 0.6666667 -0.6666667 0.0000000 )
|
|
q( 19 ) = ( 0.0000000 -0.6666667 0.6666667 )
|
|
q( 20 ) = ( 0.0000000 -0.6666667 -0.6666667 )
|
|
q( 21 ) = ( -0.6666667 0.0000000 0.6666667 )
|
|
q( 22 ) = ( 0.6666667 0.6666667 0.0000000 )
|
|
q( 23 ) = ( -0.6666667 -0.6666667 0.0000000 )
|
|
q( 24 ) = ( -0.6666667 0.6666667 0.0000000 )
|
|
q( 25 ) = ( 0.6666667 0.0000000 -0.6666667 )
|
|
q( 26 ) = ( 0.0000000 0.6666667 0.6666667 )
|
|
q( 27 ) = ( 0.0000000 0.6666667 -0.6666667 )
|
|
|
|
Writing epmatq on .epb files
|
|
|
|
|
|
The .epb files have been correctly written
|
|
|
|
|
|
Band disentanglement is used: nbndsub = 4
|
|
Use zone-centred Wigner-Seitz cells
|
|
Number of WS vectors for electrons 43
|
|
Number of WS vectors for phonons 43
|
|
Number of WS vectors for electron-phonon 43
|
|
Results may improve by using use_ws == .true.
|
|
|
|
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
|
|
|
|
===================================================================
|
|
Memory usage: VmHWM = 29Mb
|
|
VmPeak = 297Mb
|
|
===================================================================
|
|
|
|
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 = 0.000000 eV
|
|
|
|
Fermi energy is calculated from the fine k-mesh: Ef = 10.139039 eV
|
|
|
|
Warning: check if difference with Fermi level fine grid makes sense
|
|
|
|
===================================================================
|
|
|
|
ibndmin = 2 ebndmin = 0.602
|
|
ibndmax = 4 ebndmax = 0.739
|
|
|
|
|
|
Number of ep-matrix elements per pool : 11664 ~= 91.12 Kb (@ 8 bytes/ DP)
|
|
|
|
===================================================================
|
|
Electron (Imaginary) Self-Energy in the Migdal Approximation
|
|
===================================================================
|
|
|
|
|
|
Fermi Surface thickness = 2.000000 eV
|
|
|
|
Golden Rule strictly enforced with T = 0.025852 eV
|
|
Gaussian Broadening: 0.100000 eV, ngauss= 1
|
|
|
|
Progression iq (fine) = 50/ 216
|
|
Progression iq (fine) = 100/ 216
|
|
Progression iq (fine) = 150/ 216
|
|
Progression iq (fine) = 200/ 216
|
|
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( 2 )= -0.0842 eV Re[Sigma]= 66.268558 meV Im[Sigma]= 4.277616 meV Z= 0.923226 lam= 0.083158
|
|
E( 3 )= -0.0842 eV Re[Sigma]= 66.268558 meV Im[Sigma]= 4.277616 meV Z= 0.923226 lam= 0.083158
|
|
E( 4 )= -0.0842 eV Re[Sigma]= 66.268558 meV Im[Sigma]= 4.277616 meV Z= 0.923226 lam= 0.083158
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 2 coord.: 0.0000000 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -61.220243 meV Im[Sigma]= 60.261708 meV Z= 0.876311 lam= 0.141148
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 82.350725 meV Im[Sigma]= 52.082925 meV Z= 0.971267 lam= 0.029583
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 82.350725 meV Im[Sigma]= 52.082925 meV Z= 0.971267 lam= 0.029583
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 3 coord.: 0.0000000 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.240454 meV Im[Sigma]= 10.691555 meV Z= 0.997048 lam= 0.002961
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.930434 meV Im[Sigma]= 85.865076 meV Z= 1.085376 lam= -0.078661
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.930434 meV Im[Sigma]= 85.865076 meV Z= 1.085376 lam= -0.078661
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 4 coord.: 0.0000000 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.4227 eV Re[Sigma]= -6.805954 meV Im[Sigma]= 6.716584 meV Z= 1.006639 lam= -0.006596
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 23.064984 meV Im[Sigma]= 79.526395 meV Z= 0.880305 lam= 0.135970
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 23.064984 meV Im[Sigma]= 79.526395 meV Z= 0.880305 lam= 0.135970
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 5 coord.: 0.0000000 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.240530 meV Im[Sigma]= 10.691660 meV Z= 0.997048 lam= 0.002961
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.929837 meV Im[Sigma]= 85.863871 meV Z= 1.085375 lam= -0.078659
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.929837 meV Im[Sigma]= 85.863871 meV Z= 1.085375 lam= -0.078659
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 6 coord.: 0.0000000 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -61.221035 meV Im[Sigma]= 60.262742 meV Z= 0.876310 lam= 0.141148
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 82.350138 meV Im[Sigma]= 52.082385 meV Z= 0.971266 lam= 0.029584
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 82.350138 meV Im[Sigma]= 52.082385 meV Z= 0.971266 lam= 0.029584
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 7 coord.: 0.0000000 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -63.080424 meV Im[Sigma]= 61.255865 meV Z= 0.877453 lam= 0.139662
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 80.960916 meV Im[Sigma]= 53.875341 meV Z= 0.980719 lam= 0.019660
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 80.960916 meV Im[Sigma]= 53.875341 meV Z= 0.980719 lam= 0.019660
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 8 coord.: 0.0000000 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 33.027972 meV Im[Sigma]= 114.438308 meV Z= 0.972264 lam= 0.028527
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.264563 meV Im[Sigma]= 30.075457 meV Z= 0.892455 lam= 0.120505
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.264563 meV Im[Sigma]= 30.075457 meV Z= 0.892455 lam= 0.120505
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 9 coord.: 0.0000000 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.138788 meV Im[Sigma]= 46.863345 meV Z= 1.057486 lam= -0.054361
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.729426 meV Im[Sigma]= 74.142700 meV Z= 0.892439 lam= 0.120525
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.138386 meV Im[Sigma]= 114.846243 meV Z= 1.057542 lam= -0.054411
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 10 coord.: 0.0000000 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 11 coord.: 0.0000000 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.727144 meV Im[Sigma]= 51.540165 meV Z= 1.112384 lam= -0.101030
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.594639 meV Im[Sigma]= 40.274320 meV Z= 1.047037 lam= -0.044924
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.097437 meV Im[Sigma]= 57.813748 meV Z= 0.900406 lam= 0.110610
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 12 coord.: 0.0000000 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.627000 meV Im[Sigma]= 23.283905 meV Z= 0.995659 lam= 0.004360
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.954068 meV Im[Sigma]= 64.776786 meV Z= 1.034430 lam= -0.033284
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.706045 meV Im[Sigma]= 135.985623 meV Z= 2.006845 lam= -0.501705
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 13 coord.: 0.0000000 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= -0.028552 meV Im[Sigma]= 10.691555 meV Z= 0.997185 lam= 0.002823
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.307362 meV Im[Sigma]= 85.715198 meV Z= 1.086303 lam= -0.079446
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.307362 meV Im[Sigma]= 85.715198 meV Z= 1.086303 lam= -0.079446
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 14 coord.: 0.0000000 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.080172 meV Im[Sigma]= 44.952880 meV Z= 1.045892 lam= -0.043878
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.425506 meV Im[Sigma]= 73.512696 meV Z= 0.885653 lam= 0.129110
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.928958 meV Im[Sigma]= 116.840926 meV Z= 1.081652 lam= -0.075489
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 15 coord.: 0.0000000 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 16 coord.: 0.0000000 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 17 coord.: 0.0000000 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 18 coord.: 0.0000000 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.321537 meV Im[Sigma]= 48.396001 meV Z= 1.098238 lam= -0.089450
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.978937 meV Im[Sigma]= 40.434271 meV Z= 1.049672 lam= -0.047321
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.639403 meV Im[Sigma]= 57.031005 meV Z= 0.893477 lam= 0.119223
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 19 coord.: 0.0000000 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.4227 eV Re[Sigma]= -6.746603 meV Im[Sigma]= 6.652594 meV Z= 1.006287 lam= -0.006248
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 23.809276 meV Im[Sigma]= 78.209945 meV Z= 0.884327 lam= 0.130804
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 23.809276 meV Im[Sigma]= 78.209945 meV Z= 0.884327 lam= 0.130804
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 20 coord.: 0.0000000 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 21 coord.: 0.0000000 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 22 coord.: 0.0000000 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1432 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 23 coord.: 0.0000000 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 24 coord.: 0.0000000 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 25 coord.: 0.0000000 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= -0.028461 meV Im[Sigma]= 10.691660 meV Z= 0.997185 lam= 0.002823
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.306702 meV Im[Sigma]= 85.714267 meV Z= 1.086303 lam= -0.079447
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.306702 meV Im[Sigma]= 85.714267 meV Z= 1.086303 lam= -0.079447
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 26 coord.: 0.0000000 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.321679 meV Im[Sigma]= 48.396390 meV Z= 1.098238 lam= -0.089451
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.978853 meV Im[Sigma]= 40.434071 meV Z= 1.049673 lam= -0.047322
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.639763 meV Im[Sigma]= 57.030639 meV Z= 0.893475 lam= 0.119226
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 27 coord.: 0.0000000 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 28 coord.: 0.0000000 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 29 coord.: 0.0000000 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 30 coord.: 0.0000000 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.080153 meV Im[Sigma]= 44.953237 meV Z= 1.045893 lam= -0.043879
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.424968 meV Im[Sigma]= 73.512050 meV Z= 0.885655 lam= 0.129108
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.929386 meV Im[Sigma]= 116.840494 meV Z= 1.081647 lam= -0.075484
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 31 coord.: 0.0000000 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -63.080993 meV Im[Sigma]= 61.256491 meV Z= 0.877451 lam= 0.139665
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 80.960838 meV Im[Sigma]= 53.874443 meV Z= 0.980714 lam= 0.019665
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 80.960838 meV Im[Sigma]= 53.874443 meV Z= 0.980714 lam= 0.019665
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 32 coord.: 0.0000000 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.626931 meV Im[Sigma]= 23.283862 meV Z= 0.995659 lam= 0.004360
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.954050 meV Im[Sigma]= 64.776869 meV Z= 1.034430 lam= -0.033284
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.706118 meV Im[Sigma]= 135.986052 meV Z= 2.006854 lam= -0.501708
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 33 coord.: 0.0000000 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.726898 meV Im[Sigma]= 51.539647 meV Z= 1.112384 lam= -0.101030
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.594571 meV Im[Sigma]= 40.274369 meV Z= 1.047037 lam= -0.044924
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.097250 meV Im[Sigma]= 57.814287 meV Z= 0.900408 lam= 0.110607
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 34 coord.: 0.0000000 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 35 coord.: 0.0000000 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.138616 meV Im[Sigma]= 46.863395 meV Z= 1.057487 lam= -0.054362
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.728878 meV Im[Sigma]= 74.141849 meV Z= 0.892442 lam= 0.120522
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.138360 meV Im[Sigma]= 114.845933 meV Z= 1.057539 lam= -0.054408
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 36 coord.: 0.0000000 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 33.028018 meV Im[Sigma]= 114.438160 meV Z= 0.972264 lam= 0.028528
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.264643 meV Im[Sigma]= 30.075420 meV Z= 0.892454 lam= 0.120505
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.264643 meV Im[Sigma]= 30.075420 meV Z= 0.892454 lam= 0.120505
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 37 coord.: 0.1666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -61.220245 meV Im[Sigma]= 60.261710 meV Z= 0.876311 lam= 0.141148
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 82.350724 meV Im[Sigma]= 52.082924 meV Z= 0.971267 lam= 0.029583
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 82.350724 meV Im[Sigma]= 52.082924 meV Z= 0.971267 lam= 0.029583
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 38 coord.: 0.1666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 33.028018 meV Im[Sigma]= 114.438159 meV Z= 0.972264 lam= 0.028528
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.264643 meV Im[Sigma]= 30.075420 meV Z= 0.892454 lam= 0.120505
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.264643 meV Im[Sigma]= 30.075420 meV Z= 0.892454 lam= 0.120505
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 39 coord.: 0.1666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206762 meV Im[Sigma]= 45.747322 meV Z= 1.050107 lam= -0.047716
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.333219 meV Im[Sigma]= 74.265226 meV Z= 0.885052 lam= 0.129877
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343328 meV Im[Sigma]= 117.190879 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 40 coord.: 0.1666667 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 41 coord.: 0.1666667 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.827019 meV Im[Sigma]= 50.499069 meV Z= 1.107292 lam= -0.096896
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870267 meV Im[Sigma]= 40.191065 meV Z= 1.047354 lam= -0.045213
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.212970 meV Im[Sigma]= 58.297148 meV Z= 0.891653 lam= 0.121513
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 42 coord.: 0.1666667 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.347778 meV Im[Sigma]= 23.182858 meV Z= 0.995593 lam= 0.004427
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -49.090113 meV Im[Sigma]= 63.915414 meV Z= 1.030920 lam= -0.029993
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.402313 meV Im[Sigma]= 137.927726 meV Z= 2.060675 lam= -0.514722
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 43 coord.: 0.1666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 33.027971 meV Im[Sigma]= 114.438310 meV Z= 0.972264 lam= 0.028527
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.264563 meV Im[Sigma]= 30.075456 meV Z= 0.892455 lam= 0.120505
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.264563 meV Im[Sigma]= 30.075456 meV Z= 0.892455 lam= 0.120505
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 44 coord.: 0.1666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -61.221035 meV Im[Sigma]= 60.262741 meV Z= 0.876310 lam= 0.141148
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 82.350139 meV Im[Sigma]= 52.082385 meV Z= 0.971266 lam= 0.029584
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 82.350139 meV Im[Sigma]= 52.082385 meV Z= 0.971266 lam= 0.029584
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 45 coord.: 0.1666667 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.347778 meV Im[Sigma]= 23.182857 meV Z= 0.995593 lam= 0.004427
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -49.090114 meV Im[Sigma]= 63.915417 meV Z= 1.030921 lam= -0.029993
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.402313 meV Im[Sigma]= 137.927727 meV Z= 2.060675 lam= -0.514722
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 46 coord.: 0.1666667 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.826937 meV Im[Sigma]= 50.498981 meV Z= 1.107293 lam= -0.096897
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870253 meV Im[Sigma]= 40.191384 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.212929 meV Im[Sigma]= 58.297028 meV Z= 0.891652 lam= 0.121514
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 47 coord.: 0.1666667 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 48 coord.: 0.1666667 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206641 meV Im[Sigma]= 45.747617 meV Z= 1.050108 lam= -0.047717
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332577 meV Im[Sigma]= 74.264525 meV Z= 0.885054 lam= 0.129874
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343495 meV Im[Sigma]= 117.190341 meV Z= 1.078456 lam= -0.072749
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 49 coord.: 0.1666667 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.080172 meV Im[Sigma]= 44.952880 meV Z= 1.045892 lam= -0.043878
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.425505 meV Im[Sigma]= 73.512695 meV Z= 0.885653 lam= 0.129110
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.928958 meV Im[Sigma]= 116.840927 meV Z= 1.081652 lam= -0.075489
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 50 coord.: 0.1666667 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.627000 meV Im[Sigma]= 23.283906 meV Z= 0.995659 lam= 0.004360
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.954068 meV Im[Sigma]= 64.776785 meV Z= 1.034430 lam= -0.033284
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.706045 meV Im[Sigma]= 135.985624 meV Z= 2.006845 lam= -0.501705
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 51 coord.: 0.1666667 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206641 meV Im[Sigma]= 45.747616 meV Z= 1.050108 lam= -0.047717
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332577 meV Im[Sigma]= 74.264526 meV Z= 0.885054 lam= 0.129874
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343494 meV Im[Sigma]= 117.190345 meV Z= 1.078456 lam= -0.072749
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 52 coord.: 0.1666667 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 53 coord.: 0.1666667 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 54 coord.: 0.1666667 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 55 coord.: 0.1666667 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 56 coord.: 0.1666667 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.321537 meV Im[Sigma]= 48.396001 meV Z= 1.098238 lam= -0.089450
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.978937 meV Im[Sigma]= 40.434271 meV Z= 1.049672 lam= -0.047321
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.639402 meV Im[Sigma]= 57.031004 meV Z= 0.893477 lam= 0.119223
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 57 coord.: 0.1666667 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 58 coord.: 0.1666667 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 59 coord.: 0.1666667 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 60 coord.: 0.1666667 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 61 coord.: 0.1666667 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.321680 meV Im[Sigma]= 48.396389 meV Z= 1.098238 lam= -0.089451
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.978853 meV Im[Sigma]= 40.434070 meV Z= 1.049673 lam= -0.047322
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.639763 meV Im[Sigma]= 57.030638 meV Z= 0.893475 lam= 0.119226
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 62 coord.: 0.1666667 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 63 coord.: 0.1666667 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 64 coord.: 0.1666667 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 65 coord.: 0.1666667 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 66 coord.: 0.1666667 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 67 coord.: 0.1666667 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.626931 meV Im[Sigma]= 23.283863 meV Z= 0.995659 lam= 0.004360
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.954050 meV Im[Sigma]= 64.776869 meV Z= 1.034430 lam= -0.033284
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.706117 meV Im[Sigma]= 135.986050 meV Z= 2.006854 lam= -0.501708
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 68 coord.: 0.1666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.080153 meV Im[Sigma]= 44.953237 meV Z= 1.045893 lam= -0.043879
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.424968 meV Im[Sigma]= 73.512049 meV Z= 0.885655 lam= 0.129108
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.929386 meV Im[Sigma]= 116.840492 meV Z= 1.081647 lam= -0.075484
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 69 coord.: 0.1666667 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 70 coord.: 0.1666667 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 71 coord.: 0.1666667 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 72 coord.: 0.1666667 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206762 meV Im[Sigma]= 45.747322 meV Z= 1.050107 lam= -0.047716
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.333219 meV Im[Sigma]= 74.265225 meV Z= 0.885052 lam= 0.129877
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343328 meV Im[Sigma]= 117.190878 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 73 coord.: 0.3333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.240454 meV Im[Sigma]= 10.691555 meV Z= 0.997048 lam= 0.002961
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.930435 meV Im[Sigma]= 85.865074 meV Z= 1.085376 lam= -0.078661
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.930435 meV Im[Sigma]= 85.865074 meV Z= 1.085376 lam= -0.078661
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 74 coord.: 0.3333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206762 meV Im[Sigma]= 45.747322 meV Z= 1.050107 lam= -0.047716
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.333219 meV Im[Sigma]= 74.265225 meV Z= 0.885052 lam= 0.129877
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343328 meV Im[Sigma]= 117.190878 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 75 coord.: 0.3333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 76 coord.: 0.3333333 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 77 coord.: 0.3333333 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 78 coord.: 0.3333333 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.826937 meV Im[Sigma]= 50.498984 meV Z= 1.107293 lam= -0.096897
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870253 meV Im[Sigma]= 40.191383 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.212929 meV Im[Sigma]= 58.297028 meV Z= 0.891652 lam= 0.121514
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 79 coord.: 0.3333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.138788 meV Im[Sigma]= 46.863347 meV Z= 1.057486 lam= -0.054361
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.729426 meV Im[Sigma]= 74.142698 meV Z= 0.892439 lam= 0.120525
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.138385 meV Im[Sigma]= 114.846243 meV Z= 1.057542 lam= -0.054411
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 80 coord.: 0.3333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.347778 meV Im[Sigma]= 23.182859 meV Z= 0.995593 lam= 0.004427
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -49.090115 meV Im[Sigma]= 63.915416 meV Z= 1.030920 lam= -0.029993
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.402313 meV Im[Sigma]= 137.927724 meV Z= 2.060675 lam= -0.514722
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 81 coord.: 0.3333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.138616 meV Im[Sigma]= 46.863395 meV Z= 1.057487 lam= -0.054362
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.728879 meV Im[Sigma]= 74.141851 meV Z= 0.892442 lam= 0.120522
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.138361 meV Im[Sigma]= 114.845933 meV Z= 1.057539 lam= -0.054408
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 82 coord.: 0.3333333 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 83 coord.: 0.3333333 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 84 coord.: 0.3333333 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 85 coord.: 0.3333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 86 coord.: 0.3333333 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206641 meV Im[Sigma]= 45.747617 meV Z= 1.050108 lam= -0.047717
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332577 meV Im[Sigma]= 74.264526 meV Z= 0.885054 lam= 0.129874
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343495 meV Im[Sigma]= 117.190342 meV Z= 1.078456 lam= -0.072749
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 87 coord.: 0.3333333 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.240530 meV Im[Sigma]= 10.691659 meV Z= 0.997048 lam= 0.002961
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.929837 meV Im[Sigma]= 85.863872 meV Z= 1.085375 lam= -0.078659
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.929837 meV Im[Sigma]= 85.863872 meV Z= 1.085375 lam= -0.078659
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 88 coord.: 0.3333333 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.827019 meV Im[Sigma]= 50.499068 meV Z= 1.107292 lam= -0.096896
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870268 meV Im[Sigma]= 40.191066 meV Z= 1.047354 lam= -0.045213
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.212970 meV Im[Sigma]= 58.297149 meV Z= 0.891653 lam= 0.121513
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 89 coord.: 0.3333333 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 90 coord.: 0.3333333 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 91 coord.: 0.3333333 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 92 coord.: 0.3333333 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 93 coord.: 0.3333333 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.727143 meV Im[Sigma]= 51.540164 meV Z= 1.112384 lam= -0.101030
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.594639 meV Im[Sigma]= 40.274320 meV Z= 1.047037 lam= -0.044924
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.097437 meV Im[Sigma]= 57.813748 meV Z= 0.900406 lam= 0.110610
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 94 coord.: 0.3333333 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 95 coord.: 0.3333333 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 96 coord.: 0.3333333 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 97 coord.: 0.3333333 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 98 coord.: 0.3333333 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 99 coord.: 0.3333333 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 100 coord.: 0.3333333 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 101 coord.: 0.3333333 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 102 coord.: 0.3333333 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 103 coord.: 0.3333333 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.726898 meV Im[Sigma]= 51.539647 meV Z= 1.112384 lam= -0.101030
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.594571 meV Im[Sigma]= 40.274369 meV Z= 1.047037 lam= -0.044924
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.097249 meV Im[Sigma]= 57.814287 meV Z= 0.900408 lam= 0.110607
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 104 coord.: 0.3333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 105 coord.: 0.3333333 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 106 coord.: 0.3333333 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 107 coord.: 0.3333333 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 108 coord.: 0.3333333 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 109 coord.: 0.5000000 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.4227 eV Re[Sigma]= -6.805954 meV Im[Sigma]= 6.716583 meV Z= 1.006639 lam= -0.006596
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 23.064984 meV Im[Sigma]= 79.526396 meV Z= 0.880305 lam= 0.135970
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 23.064984 meV Im[Sigma]= 79.526396 meV Z= 0.880305 lam= 0.135970
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 110 coord.: 0.5000000 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 111 coord.: 0.5000000 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 112 coord.: 0.5000000 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1432 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 113 coord.: 0.5000000 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 114 coord.: 0.5000000 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 115 coord.: 0.5000000 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 116 coord.: 0.5000000 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.826937 meV Im[Sigma]= 50.498983 meV Z= 1.107293 lam= -0.096897
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870253 meV Im[Sigma]= 40.191384 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.212928 meV Im[Sigma]= 58.297027 meV Z= 0.891652 lam= 0.121514
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 117 coord.: 0.5000000 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 118 coord.: 0.5000000 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 119 coord.: 0.5000000 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 120 coord.: 0.5000000 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 121 coord.: 0.5000000 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 122 coord.: 0.5000000 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 123 coord.: 0.5000000 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.827019 meV Im[Sigma]= 50.499068 meV Z= 1.107292 lam= -0.096896
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870267 meV Im[Sigma]= 40.191066 meV Z= 1.047354 lam= -0.045213
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.212970 meV Im[Sigma]= 58.297149 meV Z= 0.891653 lam= 0.121513
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 124 coord.: 0.5000000 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 125 coord.: 0.5000000 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 126 coord.: 0.5000000 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 127 coord.: 0.5000000 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1432 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3397 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 128 coord.: 0.5000000 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 129 coord.: 0.5000000 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 130 coord.: 0.5000000 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -9.4227 eV Re[Sigma]= -6.805954 meV Im[Sigma]= 6.716584 meV Z= 1.006639 lam= -0.006596
|
|
E( 3 )= -1.6810 eV Re[Sigma]= 23.064984 meV Im[Sigma]= 79.526394 meV Z= 0.880305 lam= 0.135970
|
|
E( 4 )= -1.6810 eV Re[Sigma]= 23.064984 meV Im[Sigma]= 79.526394 meV Z= 0.880305 lam= 0.135970
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 131 coord.: 0.5000000 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 132 coord.: 0.5000000 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 133 coord.: 0.5000000 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 134 coord.: 0.5000000 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 135 coord.: 0.5000000 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 136 coord.: 0.5000000 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 137 coord.: 0.5000000 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.826937 meV Im[Sigma]= 50.498982 meV Z= 1.107293 lam= -0.096897
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870253 meV Im[Sigma]= 40.191384 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.212929 meV Im[Sigma]= 58.297028 meV Z= 0.891652 lam= 0.121514
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 138 coord.: 0.5000000 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 139 coord.: 0.5000000 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 140 coord.: 0.5000000 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 141 coord.: 0.5000000 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 142 coord.: 0.5000000 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 143 coord.: 0.5000000 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 144 coord.: 0.5000000 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.827019 meV Im[Sigma]= 50.499068 meV Z= 1.107292 lam= -0.096896
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870267 meV Im[Sigma]= 40.191065 meV Z= 1.047354 lam= -0.045213
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.212971 meV Im[Sigma]= 58.297149 meV Z= 0.891653 lam= 0.121513
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 145 coord.: 0.6666667 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.240530 meV Im[Sigma]= 10.691659 meV Z= 0.997048 lam= 0.002961
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.929838 meV Im[Sigma]= 85.863871 meV Z= 1.085375 lam= -0.078659
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.929838 meV Im[Sigma]= 85.863871 meV Z= 1.085375 lam= -0.078659
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 146 coord.: 0.6666667 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.827019 meV Im[Sigma]= 50.499069 meV Z= 1.107292 lam= -0.096896
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870267 meV Im[Sigma]= 40.191067 meV Z= 1.047354 lam= -0.045213
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.212971 meV Im[Sigma]= 58.297150 meV Z= 0.891653 lam= 0.121513
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 147 coord.: 0.6666667 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 148 coord.: 0.6666667 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 149 coord.: 0.6666667 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 150 coord.: 0.6666667 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206641 meV Im[Sigma]= 45.747617 meV Z= 1.050108 lam= -0.047717
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332576 meV Im[Sigma]= 74.264525 meV Z= 0.885054 lam= 0.129874
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343495 meV Im[Sigma]= 117.190344 meV Z= 1.078456 lam= -0.072749
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 151 coord.: 0.6666667 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.727143 meV Im[Sigma]= 51.540164 meV Z= 1.112384 lam= -0.101030
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.594639 meV Im[Sigma]= 40.274321 meV Z= 1.047037 lam= -0.044924
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.097438 meV Im[Sigma]= 57.813748 meV Z= 0.900406 lam= 0.110610
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 152 coord.: 0.6666667 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 153 coord.: 0.6666667 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 154 coord.: 0.6666667 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 155 coord.: 0.6666667 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 156 coord.: 0.6666667 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 157 coord.: 0.6666667 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 158 coord.: 0.6666667 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 159 coord.: 0.6666667 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 160 coord.: 0.6666667 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 161 coord.: 0.6666667 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 162 coord.: 0.6666667 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 163 coord.: 0.6666667 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 164 coord.: 0.6666667 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 165 coord.: 0.6666667 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 166 coord.: 0.6666667 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 167 coord.: 0.6666667 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.726898 meV Im[Sigma]= 51.539647 meV Z= 1.112384 lam= -0.101030
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.594571 meV Im[Sigma]= 40.274370 meV Z= 1.047037 lam= -0.044924
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.097248 meV Im[Sigma]= 57.814286 meV Z= 0.900408 lam= 0.110607
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 168 coord.: 0.6666667 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 169 coord.: 0.6666667 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.7377 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.1516 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 170 coord.: 0.6666667 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 171 coord.: 0.6666667 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7256 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -6.3198 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.7070 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 172 coord.: 0.6666667 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.826937 meV Im[Sigma]= 50.498982 meV Z= 1.107293 lam= -0.096897
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870254 meV Im[Sigma]= 40.191384 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.212928 meV Im[Sigma]= 58.297027 meV Z= 0.891652 lam= 0.121514
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 173 coord.: 0.6666667 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8685 eV Re[Sigma]= 0.240454 meV Im[Sigma]= 10.691555 meV Z= 0.997048 lam= 0.002961
|
|
E( 3 )= -1.1730 eV Re[Sigma]= 43.930433 meV Im[Sigma]= 85.865074 meV Z= 1.085376 lam= -0.078661
|
|
E( 4 )= -1.1730 eV Re[Sigma]= 43.930433 meV Im[Sigma]= 85.865074 meV Z= 1.085376 lam= -0.078661
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 174 coord.: 0.6666667 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206762 meV Im[Sigma]= 45.747321 meV Z= 1.050107 lam= -0.047716
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.333218 meV Im[Sigma]= 74.265225 meV Z= 0.885052 lam= 0.129877
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343328 meV Im[Sigma]= 117.190877 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 175 coord.: 0.6666667 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.138616 meV Im[Sigma]= 46.863395 meV Z= 1.057487 lam= -0.054362
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.728878 meV Im[Sigma]= 74.141850 meV Z= 0.892442 lam= 0.120522
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.138360 meV Im[Sigma]= 114.845931 meV Z= 1.057539 lam= -0.054408
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 176 coord.: 0.6666667 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 177 coord.: 0.6666667 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 178 coord.: 0.6666667 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 179 coord.: 0.6666667 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.138788 meV Im[Sigma]= 46.863346 meV Z= 1.057486 lam= -0.054361
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.729427 meV Im[Sigma]= 74.142703 meV Z= 0.892439 lam= 0.120525
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 25.138385 meV Im[Sigma]= 114.846241 meV Z= 1.057542 lam= -0.054411
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 180 coord.: 0.6666667 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.347777 meV Im[Sigma]= 23.182857 meV Z= 0.995593 lam= 0.004427
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -49.090116 meV Im[Sigma]= 63.915418 meV Z= 1.030921 lam= -0.029993
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.402313 meV Im[Sigma]= 137.927722 meV Z= 2.060675 lam= -0.514722
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 181 coord.: 0.8333333 0.0000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -61.221036 meV Im[Sigma]= 60.262743 meV Z= 0.876310 lam= 0.141148
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 82.350136 meV Im[Sigma]= 52.082384 meV Z= 0.971266 lam= 0.029584
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 82.350136 meV Im[Sigma]= 52.082384 meV Z= 0.971266 lam= 0.029584
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 182 coord.: 0.8333333 0.0000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.347778 meV Im[Sigma]= 23.182858 meV Z= 0.995593 lam= 0.004427
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -49.090114 meV Im[Sigma]= 63.915417 meV Z= 1.030921 lam= -0.029993
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.402313 meV Im[Sigma]= 137.927725 meV Z= 2.060675 lam= -0.514722
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 183 coord.: 0.8333333 0.0000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.826937 meV Im[Sigma]= 50.498983 meV Z= 1.107293 lam= -0.096897
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870253 meV Im[Sigma]= 40.191385 meV Z= 1.047355 lam= -0.045214
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.212929 meV Im[Sigma]= 58.297028 meV Z= 0.891652 lam= 0.121514
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 184 coord.: 0.8333333 0.0000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 185 coord.: 0.8333333 0.0000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206641 meV Im[Sigma]= 45.747617 meV Z= 1.050108 lam= -0.047717
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332576 meV Im[Sigma]= 74.264525 meV Z= 0.885054 lam= 0.129874
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343495 meV Im[Sigma]= 117.190347 meV Z= 1.078456 lam= -0.072749
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 186 coord.: 0.8333333 0.0000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 33.027971 meV Im[Sigma]= 114.438304 meV Z= 0.972264 lam= 0.028527
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.264564 meV Im[Sigma]= 30.075458 meV Z= 0.892455 lam= 0.120505
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.264564 meV Im[Sigma]= 30.075458 meV Z= 0.892455 lam= 0.120505
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 187 coord.: 0.8333333 0.1666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.627001 meV Im[Sigma]= 23.283906 meV Z= 0.995659 lam= 0.004360
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.954067 meV Im[Sigma]= 64.776784 meV Z= 1.034430 lam= -0.033284
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.706044 meV Im[Sigma]= 135.985622 meV Z= 2.006845 lam= -0.501705
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 188 coord.: 0.8333333 0.1666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206641 meV Im[Sigma]= 45.747617 meV Z= 1.050108 lam= -0.047717
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.332577 meV Im[Sigma]= 74.264525 meV Z= 0.885054 lam= 0.129874
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343495 meV Im[Sigma]= 117.190345 meV Z= 1.078456 lam= -0.072749
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 189 coord.: 0.8333333 0.1666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 190 coord.: 0.8333333 0.1666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 191 coord.: 0.8333333 0.1666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 192 coord.: 0.8333333 0.1666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.080172 meV Im[Sigma]= 44.952880 meV Z= 1.045892 lam= -0.043878
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.425507 meV Im[Sigma]= 73.512699 meV Z= 0.885653 lam= 0.129110
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.928959 meV Im[Sigma]= 116.840925 meV Z= 1.081652 lam= -0.075489
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 193 coord.: 0.8333333 0.3333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.321537 meV Im[Sigma]= 48.396001 meV Z= 1.098238 lam= -0.089450
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.978937 meV Im[Sigma]= 40.434270 meV Z= 1.049672 lam= -0.047321
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.639403 meV Im[Sigma]= 57.031005 meV Z= 0.893477 lam= 0.119223
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 194 coord.: 0.8333333 0.3333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 195 coord.: 0.8333333 0.3333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 196 coord.: 0.8333333 0.3333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 197 coord.: 0.8333333 0.3333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 198 coord.: 0.8333333 0.3333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 199 coord.: 0.8333333 0.5000000 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 200 coord.: 0.8333333 0.5000000 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 201 coord.: 0.8333333 0.5000000 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.8765 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.6007 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -4.3908 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 202 coord.: 0.8333333 0.5000000 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.6363 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.8087 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.6130 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 203 coord.: 0.8333333 0.5000000 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 204 coord.: 0.8333333 0.5000000 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.321679 meV Im[Sigma]= 48.396389 meV Z= 1.098238 lam= -0.089451
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.978853 meV Im[Sigma]= 40.434071 meV Z= 1.049673 lam= -0.047322
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 44.639762 meV Im[Sigma]= 57.030639 meV Z= 0.893475 lam= 0.119226
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 205 coord.: 0.8333333 0.6666667 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.080154 meV Im[Sigma]= 44.953236 meV Z= 1.045893 lam= -0.043879
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -30.424968 meV Im[Sigma]= 73.512048 meV Z= 0.885655 lam= 0.129108
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 26.929385 meV Im[Sigma]= 116.840496 meV Z= 1.081647 lam= -0.075484
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 206 coord.: 0.8333333 0.6666667 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 207 coord.: 0.8333333 0.6666667 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.1182 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -5.4137 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -3.2174 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 208 coord.: 0.8333333 0.6666667 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -6.8089 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -4.5766 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.4092 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 209 coord.: 0.8333333 0.6666667 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206762 meV Im[Sigma]= 45.747322 meV Z= 1.050107 lam= -0.047716
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.333219 meV Im[Sigma]= 74.265225 meV Z= 0.885052 lam= 0.129877
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343327 meV Im[Sigma]= 117.190878 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 210 coord.: 0.8333333 0.6666667 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.626931 meV Im[Sigma]= 23.283862 meV Z= 0.995659 lam= 0.004360
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -48.954049 meV Im[Sigma]= 64.776868 meV Z= 1.034430 lam= -0.033284
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 47.706117 meV Im[Sigma]= 135.986051 meV Z= 2.006854 lam= -0.501708
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 211 coord.: 0.8333333 0.8333333 0.0000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -1.7072 eV Re[Sigma]= 33.028018 meV Im[Sigma]= 114.438157 meV Z= 0.972264 lam= 0.028528
|
|
E( 3 )= -1.0239 eV Re[Sigma]= 65.264643 meV Im[Sigma]= 30.075420 meV Z= 0.892454 lam= 0.120505
|
|
E( 4 )= -1.0239 eV Re[Sigma]= 65.264643 meV Im[Sigma]= 30.075420 meV Z= 0.892454 lam= 0.120505
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 212 coord.: 0.8333333 0.8333333 0.1666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -5.3050 eV Re[Sigma]= 11.206762 meV Im[Sigma]= 45.747321 meV Z= 1.050107 lam= -0.047716
|
|
E( 3 )= -1.9550 eV Re[Sigma]= -31.333219 meV Im[Sigma]= 74.265226 meV Z= 0.885052 lam= 0.129877
|
|
E( 4 )= -1.7220 eV Re[Sigma]= 27.343328 meV Im[Sigma]= 117.190878 meV Z= 1.078459 lam= -0.072751
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 213 coord.: 0.8333333 0.8333333 0.3333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -8.6498 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 3 )= -3.0372 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
E( 4 )= -2.2836 eV Re[Sigma]= 0.000000 meV Im[Sigma]= 0.000000 meV Z= 1.000000 lam= 0.000000
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 214 coord.: 0.8333333 0.8333333 0.5000000
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -7.7841 eV Re[Sigma]= 10.827019 meV Im[Sigma]= 50.499069 meV Z= 1.107292 lam= -0.096896
|
|
E( 3 )= -3.5170 eV Re[Sigma]= 6.870267 meV Im[Sigma]= 40.191065 meV Z= 1.047354 lam= -0.045213
|
|
E( 4 )= -1.4636 eV Re[Sigma]= 45.212970 meV Im[Sigma]= 58.297149 meV Z= 0.891653 lam= 0.121513
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 215 coord.: 0.8333333 0.8333333 0.6666667
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -4.2102 eV Re[Sigma]= -6.347778 meV Im[Sigma]= 23.182858 meV Z= 0.995593 lam= 0.004427
|
|
E( 3 )= -2.2152 eV Re[Sigma]= -49.090114 meV Im[Sigma]= 63.915416 meV Z= 1.030921 lam= -0.029993
|
|
E( 4 )= -0.4858 eV Re[Sigma]= 49.402313 meV Im[Sigma]= 137.927725 meV Z= 2.060675 lam= -0.514722
|
|
-------------------------------------------------------------------
|
|
|
|
|
|
ik = 216 coord.: 0.8333333 0.8333333 0.8333333
|
|
-------------------------------------------------------------------
|
|
E( 2 )= -2.1472 eV Re[Sigma]= -61.220243 meV Im[Sigma]= 60.261708 meV Z= 0.876311 lam= 0.141148
|
|
E( 3 )= -0.3746 eV Re[Sigma]= 82.350724 meV Im[Sigma]= 52.082925 meV Z= 0.971267 lam= 0.029583
|
|
E( 4 )= -0.3746 eV Re[Sigma]= 82.350724 meV Im[Sigma]= 52.082925 meV Z= 0.971267 lam= 0.029583
|
|
-------------------------------------------------------------------
|
|
|
|
1 2 -0.0842 66.2686 4.2776 0.9232 0.0832
|
|
2 2 -2.1472 -61.2202 60.2617 0.8763 0.1411
|
|
3 2 -6.8685 0.2405 10.6916 0.9970 0.0030
|
|
4 2 -9.4227 -6.8060 6.7166 1.0066 -0.0066
|
|
5 2 -6.8685 0.2405 10.6917 0.9970 0.0030
|
|
6 2 -2.1472 -61.2210 60.2627 0.8763 0.1411
|
|
7 2 -2.1472 -63.0804 61.2559 0.8775 0.1397
|
|
8 2 -1.7072 33.0280 114.4383 0.9723 0.0285
|
|
9 2 -5.3050 11.1388 46.8633 1.0575 -0.0544
|
|
10 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
11 2 -7.7841 10.7271 51.5402 1.1124 -0.1010
|
|
12 2 -4.2102 -6.6270 23.2839 0.9957 0.0044
|
|
13 2 -6.8685 -0.0286 10.6916 0.9972 0.0028
|
|
14 2 -5.3050 11.0802 44.9529 1.0459 -0.0439
|
|
15 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
16 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
17 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
18 2 -7.7841 10.3215 48.3960 1.0982 -0.0895
|
|
19 2 -9.4227 -6.7466 6.6526 1.0063 -0.0062
|
|
20 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
21 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
22 2 -8.1432 0.0000 0.0000 1.0000 0.0000
|
|
23 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
24 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
25 2 -6.8685 -0.0285 10.6917 0.9972 0.0028
|
|
26 2 -7.7841 10.3217 48.3964 1.0982 -0.0895
|
|
27 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
28 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
29 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
30 2 -5.3050 11.0802 44.9532 1.0459 -0.0439
|
|
31 2 -2.1472 -63.0810 61.2565 0.8775 0.1397
|
|
32 2 -4.2102 -6.6269 23.2839 0.9957 0.0044
|
|
33 2 -7.7841 10.7269 51.5396 1.1124 -0.1010
|
|
34 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
35 2 -5.3050 11.1386 46.8634 1.0575 -0.0544
|
|
36 2 -1.7072 33.0280 114.4382 0.9723 0.0285
|
|
37 2 -2.1472 -61.2202 60.2617 0.8763 0.1411
|
|
38 2 -1.7072 33.0280 114.4382 0.9723 0.0285
|
|
39 2 -5.3050 11.2068 45.7473 1.0501 -0.0477
|
|
40 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
41 2 -7.7841 10.8270 50.4991 1.1073 -0.0969
|
|
42 2 -4.2102 -6.3478 23.1829 0.9956 0.0044
|
|
43 2 -1.7072 33.0280 114.4383 0.9723 0.0285
|
|
44 2 -2.1472 -61.2210 60.2627 0.8763 0.1411
|
|
45 2 -4.2102 -6.3478 23.1829 0.9956 0.0044
|
|
46 2 -7.7841 10.8269 50.4990 1.1073 -0.0969
|
|
47 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
48 2 -5.3050 11.2066 45.7476 1.0501 -0.0477
|
|
49 2 -5.3050 11.0802 44.9529 1.0459 -0.0439
|
|
50 2 -4.2102 -6.6270 23.2839 0.9957 0.0044
|
|
51 2 -5.3050 11.2066 45.7476 1.0501 -0.0477
|
|
52 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
53 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
54 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
55 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
56 2 -7.7841 10.3215 48.3960 1.0982 -0.0895
|
|
57 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
58 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
59 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
60 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
61 2 -7.7841 10.3217 48.3964 1.0982 -0.0895
|
|
62 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
63 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
64 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
65 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
66 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
67 2 -4.2102 -6.6269 23.2839 0.9957 0.0044
|
|
68 2 -5.3050 11.0802 44.9532 1.0459 -0.0439
|
|
69 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
70 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
71 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
72 2 -5.3050 11.2068 45.7473 1.0501 -0.0477
|
|
73 2 -6.8685 0.2405 10.6916 0.9970 0.0030
|
|
74 2 -5.3050 11.2068 45.7473 1.0501 -0.0477
|
|
75 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
76 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
77 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
78 2 -7.7841 10.8269 50.4990 1.1073 -0.0969
|
|
79 2 -5.3050 11.1388 46.8633 1.0575 -0.0544
|
|
80 2 -4.2102 -6.3478 23.1829 0.9956 0.0044
|
|
81 2 -5.3050 11.1386 46.8634 1.0575 -0.0544
|
|
82 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
83 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
84 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
85 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
86 2 -5.3050 11.2066 45.7476 1.0501 -0.0477
|
|
87 2 -6.8685 0.2405 10.6917 0.9970 0.0030
|
|
88 2 -7.7841 10.8270 50.4991 1.1073 -0.0969
|
|
89 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
90 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
91 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
92 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
93 2 -7.7841 10.7271 51.5402 1.1124 -0.1010
|
|
94 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
95 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
96 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
97 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
98 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
99 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
100 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
101 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
102 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
103 2 -7.7841 10.7269 51.5396 1.1124 -0.1010
|
|
104 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
105 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
106 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
107 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
108 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
109 2 -9.4227 -6.8060 6.7166 1.0066 -0.0066
|
|
110 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
111 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
112 2 -8.1432 0.0000 0.0000 1.0000 0.0000
|
|
113 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
114 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
115 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
116 2 -7.7841 10.8269 50.4990 1.1073 -0.0969
|
|
117 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
118 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
119 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
120 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
121 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
122 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
123 2 -7.7841 10.8270 50.4991 1.1073 -0.0969
|
|
124 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
125 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
126 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
127 2 -8.1432 0.0000 0.0000 1.0000 0.0000
|
|
128 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
129 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
130 2 -9.4227 -6.8060 6.7166 1.0066 -0.0066
|
|
131 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
132 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
133 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
134 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
135 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
136 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
137 2 -7.7841 10.8269 50.4990 1.1073 -0.0969
|
|
138 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
139 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
140 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
141 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
142 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
143 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
144 2 -7.7841 10.8270 50.4991 1.1073 -0.0969
|
|
145 2 -6.8685 0.2405 10.6917 0.9970 0.0030
|
|
146 2 -7.7841 10.8270 50.4991 1.1073 -0.0969
|
|
147 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
148 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
149 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
150 2 -5.3050 11.2066 45.7476 1.0501 -0.0477
|
|
151 2 -7.7841 10.7271 51.5402 1.1124 -0.1010
|
|
152 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
153 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
154 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
155 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
156 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
157 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
158 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
159 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
160 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
161 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
162 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
163 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
164 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
165 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
166 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
167 2 -7.7841 10.7269 51.5396 1.1124 -0.1010
|
|
168 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
169 2 -5.7377 0.0000 0.0000 1.0000 0.0000
|
|
170 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
171 2 -7.7256 0.0000 0.0000 1.0000 0.0000
|
|
172 2 -7.7841 10.8269 50.4990 1.1073 -0.0969
|
|
173 2 -6.8685 0.2405 10.6916 0.9970 0.0030
|
|
174 2 -5.3050 11.2068 45.7473 1.0501 -0.0477
|
|
175 2 -5.3050 11.1386 46.8634 1.0575 -0.0544
|
|
176 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
177 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
178 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
179 2 -5.3050 11.1388 46.8633 1.0575 -0.0544
|
|
180 2 -4.2102 -6.3478 23.1829 0.9956 0.0044
|
|
181 2 -2.1472 -61.2210 60.2627 0.8763 0.1411
|
|
182 2 -4.2102 -6.3478 23.1829 0.9956 0.0044
|
|
183 2 -7.7841 10.8269 50.4990 1.1073 -0.0969
|
|
184 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
185 2 -5.3050 11.2066 45.7476 1.0501 -0.0477
|
|
186 2 -1.7072 33.0280 114.4383 0.9723 0.0285
|
|
187 2 -4.2102 -6.6270 23.2839 0.9957 0.0044
|
|
188 2 -5.3050 11.2066 45.7476 1.0501 -0.0477
|
|
189 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
190 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
191 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
192 2 -5.3050 11.0802 44.9529 1.0459 -0.0439
|
|
193 2 -7.7841 10.3215 48.3960 1.0982 -0.0895
|
|
194 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
195 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
196 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
197 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
198 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
199 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
200 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
201 2 -7.8765 0.0000 0.0000 1.0000 0.0000
|
|
202 2 -7.6363 0.0000 0.0000 1.0000 0.0000
|
|
203 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
204 2 -7.7841 10.3217 48.3964 1.0982 -0.0895
|
|
205 2 -5.3050 11.0802 44.9532 1.0459 -0.0439
|
|
206 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
207 2 -8.1182 0.0000 0.0000 1.0000 0.0000
|
|
208 2 -6.8089 0.0000 0.0000 1.0000 0.0000
|
|
209 2 -5.3050 11.2068 45.7473 1.0501 -0.0477
|
|
210 2 -4.2102 -6.6269 23.2839 0.9957 0.0044
|
|
211 2 -1.7072 33.0280 114.4382 0.9723 0.0285
|
|
212 2 -5.3050 11.2068 45.7473 1.0501 -0.0477
|
|
213 2 -8.6498 0.0000 0.0000 1.0000 0.0000
|
|
214 2 -7.7841 10.8270 50.4991 1.1073 -0.0969
|
|
215 2 -4.2102 -6.3478 23.1829 0.9956 0.0044
|
|
216 2 -2.1472 -61.2202 60.2617 0.8763 0.1411
|
|
|
|
1 3 -0.0842 66.2686 4.2776 0.9232 0.0832
|
|
2 3 -0.3746 82.3507 52.0829 0.9713 0.0296
|
|
3 3 -1.1730 43.9304 85.8651 1.0854 -0.0787
|
|
4 3 -1.6810 23.0650 79.5264 0.8803 0.1360
|
|
5 3 -1.1730 43.9298 85.8639 1.0854 -0.0787
|
|
6 3 -0.3746 82.3501 52.0824 0.9713 0.0296
|
|
7 3 -0.3746 80.9609 53.8753 0.9807 0.0197
|
|
8 3 -1.0239 65.2646 30.0755 0.8925 0.1205
|
|
9 3 -1.9550 -30.7294 74.1427 0.8924 0.1205
|
|
10 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
11 3 -3.5170 6.5946 40.2743 1.0470 -0.0449
|
|
12 3 -2.2152 -48.9541 64.7768 1.0344 -0.0333
|
|
13 3 -1.1730 43.3074 85.7152 1.0863 -0.0794
|
|
14 3 -1.9550 -30.4255 73.5127 0.8857 0.1291
|
|
15 3 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
16 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
17 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
18 3 -3.5170 6.9789 40.4343 1.0497 -0.0473
|
|
19 3 -1.6810 23.8093 78.2099 0.8843 0.1308
|
|
20 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
21 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
22 3 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
23 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
24 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
25 3 -1.1730 43.3067 85.7143 1.0863 -0.0794
|
|
26 3 -3.5170 6.9789 40.4341 1.0497 -0.0473
|
|
27 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
28 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
29 3 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
30 3 -1.9550 -30.4250 73.5120 0.8857 0.1291
|
|
31 3 -0.3746 80.9608 53.8744 0.9807 0.0197
|
|
32 3 -2.2152 -48.9541 64.7769 1.0344 -0.0333
|
|
33 3 -3.5170 6.5946 40.2744 1.0470 -0.0449
|
|
34 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
35 3 -1.9550 -30.7289 74.1418 0.8924 0.1205
|
|
36 3 -1.0239 65.2646 30.0754 0.8925 0.1205
|
|
37 3 -0.3746 82.3507 52.0829 0.9713 0.0296
|
|
38 3 -1.0239 65.2646 30.0754 0.8925 0.1205
|
|
39 3 -1.9550 -31.3332 74.2652 0.8851 0.1299
|
|
40 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
41 3 -3.5170 6.8703 40.1911 1.0474 -0.0452
|
|
42 3 -2.2152 -49.0901 63.9154 1.0309 -0.0300
|
|
43 3 -1.0239 65.2646 30.0755 0.8925 0.1205
|
|
44 3 -0.3746 82.3501 52.0824 0.9713 0.0296
|
|
45 3 -2.2152 -49.0901 63.9154 1.0309 -0.0300
|
|
46 3 -3.5170 6.8703 40.1914 1.0474 -0.0452
|
|
47 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
48 3 -1.9550 -31.3326 74.2645 0.8851 0.1299
|
|
49 3 -1.9550 -30.4255 73.5127 0.8857 0.1291
|
|
50 3 -2.2152 -48.9541 64.7768 1.0344 -0.0333
|
|
51 3 -1.9550 -31.3326 74.2645 0.8851 0.1299
|
|
52 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
53 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
54 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
55 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
56 3 -3.5170 6.9789 40.4343 1.0497 -0.0473
|
|
57 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
58 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
59 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
60 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
61 3 -3.5170 6.9789 40.4341 1.0497 -0.0473
|
|
62 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
63 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
64 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
65 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
66 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
67 3 -2.2152 -48.9541 64.7769 1.0344 -0.0333
|
|
68 3 -1.9550 -30.4250 73.5120 0.8857 0.1291
|
|
69 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
70 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
71 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
72 3 -1.9550 -31.3332 74.2652 0.8851 0.1299
|
|
73 3 -1.1730 43.9304 85.8651 1.0854 -0.0787
|
|
74 3 -1.9550 -31.3332 74.2652 0.8851 0.1299
|
|
75 3 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
76 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
77 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
78 3 -3.5170 6.8703 40.1914 1.0474 -0.0452
|
|
79 3 -1.9550 -30.7294 74.1427 0.8924 0.1205
|
|
80 3 -2.2152 -49.0901 63.9154 1.0309 -0.0300
|
|
81 3 -1.9550 -30.7289 74.1419 0.8924 0.1205
|
|
82 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
83 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
84 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
85 3 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
86 3 -1.9550 -31.3326 74.2645 0.8851 0.1299
|
|
87 3 -1.1730 43.9298 85.8639 1.0854 -0.0787
|
|
88 3 -3.5170 6.8703 40.1911 1.0474 -0.0452
|
|
89 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
90 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
91 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
92 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
93 3 -3.5170 6.5946 40.2743 1.0470 -0.0449
|
|
94 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
95 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
96 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
97 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
98 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
99 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
100 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
101 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
102 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
103 3 -3.5170 6.5946 40.2744 1.0470 -0.0449
|
|
104 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
105 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
106 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
107 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
108 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
109 3 -1.6810 23.0650 79.5264 0.8803 0.1360
|
|
110 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
111 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
112 3 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
113 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
114 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
115 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
116 3 -3.5170 6.8703 40.1914 1.0474 -0.0452
|
|
117 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
118 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
119 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
120 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
121 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
122 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
123 3 -3.5170 6.8703 40.1911 1.0474 -0.0452
|
|
124 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
125 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
126 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
127 3 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
128 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
129 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
130 3 -1.6810 23.0650 79.5264 0.8803 0.1360
|
|
131 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
132 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
133 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
134 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
135 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
136 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
137 3 -3.5170 6.8703 40.1914 1.0474 -0.0452
|
|
138 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
139 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
140 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
141 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
142 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
143 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
144 3 -3.5170 6.8703 40.1911 1.0474 -0.0452
|
|
145 3 -1.1730 43.9298 85.8639 1.0854 -0.0787
|
|
146 3 -3.5170 6.8703 40.1911 1.0474 -0.0452
|
|
147 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
148 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
149 3 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
150 3 -1.9550 -31.3326 74.2645 0.8851 0.1299
|
|
151 3 -3.5170 6.5946 40.2743 1.0470 -0.0449
|
|
152 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
153 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
154 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
155 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
156 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
157 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
158 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
159 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
160 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
161 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
162 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
163 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
164 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
165 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
166 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
167 3 -3.5170 6.5946 40.2744 1.0470 -0.0449
|
|
168 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
169 3 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
170 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
171 3 -6.3198 0.0000 0.0000 1.0000 0.0000
|
|
172 3 -3.5170 6.8703 40.1914 1.0474 -0.0452
|
|
173 3 -1.1730 43.9304 85.8651 1.0854 -0.0787
|
|
174 3 -1.9550 -31.3332 74.2652 0.8851 0.1299
|
|
175 3 -1.9550 -30.7289 74.1418 0.8924 0.1205
|
|
176 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
177 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
178 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
179 3 -1.9550 -30.7294 74.1427 0.8924 0.1205
|
|
180 3 -2.2152 -49.0901 63.9154 1.0309 -0.0300
|
|
181 3 -0.3746 82.3501 52.0824 0.9713 0.0296
|
|
182 3 -2.2152 -49.0901 63.9154 1.0309 -0.0300
|
|
183 3 -3.5170 6.8703 40.1914 1.0474 -0.0452
|
|
184 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
185 3 -1.9550 -31.3326 74.2645 0.8851 0.1299
|
|
186 3 -1.0239 65.2646 30.0755 0.8925 0.1205
|
|
187 3 -2.2152 -48.9541 64.7768 1.0344 -0.0333
|
|
188 3 -1.9550 -31.3326 74.2645 0.8851 0.1299
|
|
189 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
190 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
191 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
192 3 -1.9550 -30.4255 73.5127 0.8857 0.1291
|
|
193 3 -3.5170 6.9789 40.4343 1.0497 -0.0473
|
|
194 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
195 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
196 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
197 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
198 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
199 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
200 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
201 3 -5.6007 0.0000 0.0000 1.0000 0.0000
|
|
202 3 -4.8087 0.0000 0.0000 1.0000 0.0000
|
|
203 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
204 3 -3.5170 6.9789 40.4341 1.0497 -0.0473
|
|
205 3 -1.9550 -30.4250 73.5120 0.8857 0.1291
|
|
206 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
207 3 -5.4137 0.0000 0.0000 1.0000 0.0000
|
|
208 3 -4.5766 0.0000 0.0000 1.0000 0.0000
|
|
209 3 -1.9550 -31.3332 74.2652 0.8851 0.1299
|
|
210 3 -2.2152 -48.9540 64.7769 1.0344 -0.0333
|
|
211 3 -1.0239 65.2646 30.0754 0.8925 0.1205
|
|
212 3 -1.9550 -31.3332 74.2652 0.8851 0.1299
|
|
213 3 -3.0372 0.0000 0.0000 1.0000 0.0000
|
|
214 3 -3.5170 6.8703 40.1911 1.0474 -0.0452
|
|
215 3 -2.2152 -49.0901 63.9154 1.0309 -0.0300
|
|
216 3 -0.3746 82.3507 52.0829 0.9713 0.0296
|
|
|
|
1 4 -0.0842 66.2686 4.2776 0.9232 0.0832
|
|
2 4 -0.3746 82.3507 52.0829 0.9713 0.0296
|
|
3 4 -1.1730 43.9304 85.8651 1.0854 -0.0787
|
|
4 4 -1.6810 23.0650 79.5264 0.8803 0.1360
|
|
5 4 -1.1730 43.9298 85.8639 1.0854 -0.0787
|
|
6 4 -0.3746 82.3501 52.0824 0.9713 0.0296
|
|
7 4 -0.3746 80.9609 53.8753 0.9807 0.0197
|
|
8 4 -1.0239 65.2646 30.0755 0.8925 0.1205
|
|
9 4 -1.7220 25.1384 114.8462 1.0575 -0.0544
|
|
10 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
11 4 -1.4636 44.0974 57.8137 0.9004 0.1106
|
|
12 4 -0.4858 47.7060 135.9856 2.0068 -0.5017
|
|
13 4 -1.1730 43.3074 85.7152 1.0863 -0.0794
|
|
14 4 -1.7220 26.9290 116.8409 1.0817 -0.0755
|
|
15 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
16 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
17 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
18 4 -1.4636 44.6394 57.0310 0.8935 0.1192
|
|
19 4 -1.6810 23.8093 78.2099 0.8843 0.1308
|
|
20 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
21 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
22 4 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
23 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
24 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
25 4 -1.1730 43.3067 85.7143 1.0863 -0.0794
|
|
26 4 -1.4636 44.6398 57.0306 0.8935 0.1192
|
|
27 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
28 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
29 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
30 4 -1.7220 26.9294 116.8405 1.0816 -0.0755
|
|
31 4 -0.3746 80.9608 53.8744 0.9807 0.0197
|
|
32 4 -0.4858 47.7061 135.9861 2.0069 -0.5017
|
|
33 4 -1.4636 44.0972 57.8143 0.9004 0.1106
|
|
34 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
35 4 -1.7220 25.1384 114.8459 1.0575 -0.0544
|
|
36 4 -1.0239 65.2646 30.0754 0.8925 0.1205
|
|
37 4 -0.3746 82.3507 52.0829 0.9713 0.0296
|
|
38 4 -1.0239 65.2646 30.0754 0.8925 0.1205
|
|
39 4 -1.7220 27.3433 117.1909 1.0785 -0.0728
|
|
40 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
41 4 -1.4636 45.2130 58.2971 0.8917 0.1215
|
|
42 4 -0.4858 49.4023 137.9277 2.0607 -0.5147
|
|
43 4 -1.0239 65.2646 30.0755 0.8925 0.1205
|
|
44 4 -0.3746 82.3501 52.0824 0.9713 0.0296
|
|
45 4 -0.4858 49.4023 137.9277 2.0607 -0.5147
|
|
46 4 -1.4636 45.2129 58.2970 0.8917 0.1215
|
|
47 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
48 4 -1.7220 27.3435 117.1903 1.0785 -0.0727
|
|
49 4 -1.7220 26.9290 116.8409 1.0817 -0.0755
|
|
50 4 -0.4858 47.7060 135.9856 2.0068 -0.5017
|
|
51 4 -1.7220 27.3435 117.1903 1.0785 -0.0727
|
|
52 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
53 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
54 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
55 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
56 4 -1.4636 44.6394 57.0310 0.8935 0.1192
|
|
57 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
58 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
59 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
60 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
61 4 -1.4636 44.6398 57.0306 0.8935 0.1192
|
|
62 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
63 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
64 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
65 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
66 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
67 4 -0.4858 47.7061 135.9860 2.0069 -0.5017
|
|
68 4 -1.7220 26.9294 116.8405 1.0816 -0.0755
|
|
69 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
70 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
71 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
72 4 -1.7220 27.3433 117.1909 1.0785 -0.0728
|
|
73 4 -1.1730 43.9304 85.8651 1.0854 -0.0787
|
|
74 4 -1.7220 27.3433 117.1909 1.0785 -0.0728
|
|
75 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
76 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
77 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
78 4 -1.4636 45.2129 58.2970 0.8917 0.1215
|
|
79 4 -1.7220 25.1384 114.8462 1.0575 -0.0544
|
|
80 4 -0.4858 49.4023 137.9277 2.0607 -0.5147
|
|
81 4 -1.7220 25.1384 114.8459 1.0575 -0.0544
|
|
82 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
83 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
84 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
85 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
86 4 -1.7220 27.3435 117.1903 1.0785 -0.0727
|
|
87 4 -1.1730 43.9298 85.8639 1.0854 -0.0787
|
|
88 4 -1.4636 45.2130 58.2971 0.8917 0.1215
|
|
89 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
90 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
91 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
92 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
93 4 -1.4636 44.0974 57.8137 0.9004 0.1106
|
|
94 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
95 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
96 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
97 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
98 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
99 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
100 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
101 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
102 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
103 4 -1.4636 44.0972 57.8143 0.9004 0.1106
|
|
104 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
105 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
106 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
107 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
108 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
109 4 -1.6810 23.0650 79.5264 0.8803 0.1360
|
|
110 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
111 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
112 4 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
113 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
114 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
115 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
116 4 -1.4636 45.2129 58.2970 0.8917 0.1215
|
|
117 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
118 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
119 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
120 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
121 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
122 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
123 4 -1.4636 45.2130 58.2971 0.8917 0.1215
|
|
124 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
125 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
126 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
127 4 -4.3397 0.0000 0.0000 1.0000 0.0000
|
|
128 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
129 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
130 4 -1.6810 23.0650 79.5264 0.8803 0.1360
|
|
131 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
132 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
133 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
134 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
135 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
136 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
137 4 -1.4636 45.2129 58.2970 0.8917 0.1215
|
|
138 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
139 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
140 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
141 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
142 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
143 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
144 4 -1.4636 45.2130 58.2971 0.8917 0.1215
|
|
145 4 -1.1730 43.9298 85.8639 1.0854 -0.0787
|
|
146 4 -1.4636 45.2130 58.2971 0.8917 0.1215
|
|
147 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
148 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
149 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
150 4 -1.7220 27.3435 117.1903 1.0785 -0.0727
|
|
151 4 -1.4636 44.0974 57.8137 0.9004 0.1106
|
|
152 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
153 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
154 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
155 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
156 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
157 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
158 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
159 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
160 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
161 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
162 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
163 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
164 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
165 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
166 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
167 4 -1.4636 44.0972 57.8143 0.9004 0.1106
|
|
168 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
169 4 -3.1516 0.0000 0.0000 1.0000 0.0000
|
|
170 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
171 4 -2.7070 0.0000 0.0000 1.0000 0.0000
|
|
172 4 -1.4636 45.2129 58.2970 0.8917 0.1215
|
|
173 4 -1.1730 43.9304 85.8651 1.0854 -0.0787
|
|
174 4 -1.7220 27.3433 117.1909 1.0785 -0.0728
|
|
175 4 -1.7220 25.1384 114.8459 1.0575 -0.0544
|
|
176 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
177 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
178 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
179 4 -1.7220 25.1384 114.8462 1.0575 -0.0544
|
|
180 4 -0.4858 49.4023 137.9277 2.0607 -0.5147
|
|
181 4 -0.3746 82.3501 52.0824 0.9713 0.0296
|
|
182 4 -0.4858 49.4023 137.9277 2.0607 -0.5147
|
|
183 4 -1.4636 45.2129 58.2970 0.8917 0.1215
|
|
184 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
185 4 -1.7220 27.3435 117.1903 1.0785 -0.0727
|
|
186 4 -1.0239 65.2646 30.0755 0.8925 0.1205
|
|
187 4 -0.4858 47.7060 135.9856 2.0068 -0.5017
|
|
188 4 -1.7220 27.3435 117.1903 1.0785 -0.0727
|
|
189 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
190 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
191 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
192 4 -1.7220 26.9290 116.8409 1.0817 -0.0755
|
|
193 4 -1.4636 44.6394 57.0310 0.8935 0.1192
|
|
194 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
195 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
196 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
197 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
198 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
199 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
200 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
201 4 -4.3908 0.0000 0.0000 1.0000 0.0000
|
|
202 4 -3.6130 0.0000 0.0000 1.0000 0.0000
|
|
203 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
204 4 -1.4636 44.6398 57.0306 0.8935 0.1192
|
|
205 4 -1.7220 26.9294 116.8405 1.0816 -0.0755
|
|
206 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
207 4 -3.2174 0.0000 0.0000 1.0000 0.0000
|
|
208 4 -2.4092 0.0000 0.0000 1.0000 0.0000
|
|
209 4 -1.7220 27.3433 117.1909 1.0785 -0.0728
|
|
210 4 -0.4858 47.7061 135.9861 2.0069 -0.5017
|
|
211 4 -1.0239 65.2646 30.0754 0.8925 0.1205
|
|
212 4 -1.7220 27.3433 117.1909 1.0785 -0.0728
|
|
213 4 -2.2836 0.0000 0.0000 1.0000 0.0000
|
|
214 4 -1.4636 45.2130 58.2971 0.8917 0.1215
|
|
215 4 -0.4858 49.4023 137.9277 2.0607 -0.5147
|
|
216 4 -0.3746 82.3507 52.0829 0.9713 0.0296
|
|
|
|
===================================================================
|
|
Memory usage: VmHWM = 29Mb
|
|
VmPeak = 297Mb
|
|
===================================================================
|
|
|
|
|
|
Unfolding on the coarse grid
|
|
elphon_wrap : 11.53s CPU 11.80s WALL ( 1 calls)
|
|
|
|
INITIALIZATION:
|
|
|
|
init_vloc : 0.01s CPU 0.01s WALL ( 29 calls)
|
|
init_us_1 : 0.33s CPU 0.33s WALL ( 29 calls)
|
|
|
|
|
|
Electron-Phonon interpolation
|
|
ephwann : 1.60s CPU 1.79s WALL ( 1 calls)
|
|
ep-interp : 1.47s CPU 1.65s 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 : 0.03s CPU 0.03s WALL ( 162 calls)
|
|
DynW2B : 0.01s CPU 0.01s WALL ( 216 calls)
|
|
HamW2B : 0.42s CPU 0.47s WALL ( 93744 calls)
|
|
ephW2Bp : 0.10s CPU 0.11s WALL ( 216 calls)
|
|
|
|
|
|
Total program execution
|
|
EPW : 14.54s CPU 15.02s WALL
|
|
|
|
|
|
Please consider citing:
|
|
S. Ponce, E. R. Margine, C. Verdi and F. Giustino, Comput. Phys. Commun. 209, 116 (2016)
|
|
|
|
In addition, if you used anisotropic Eliashberg superconductivity please cite:
|
|
E. R. Margine and F. Giustino, Phys. Rev. B 87, 024505 (2013)
|
|
if you used transport properties (scattering rates, mobility) please cite:
|
|
S. Ponce, E. R. Margine and F. Giustino, Phys. Rev. B 97, 121201 (2018)
|