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Program BANDS v.6.0 (svn rev. 13286) starts on 8Feb2017 at 9:41:45
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 2 processors
R & G space division: proc/nbgrp/npool/nimage = 2
Reading data from directory:
/home/pietro/espresso-svn/tempdir/Fe.save
Info: using nr1, nr2, nr3 values from input
Info: using nr1, nr2, nr3 values from input
IMPORTANT: XC functional enforced from input :
Exchange-correlation = SLA PW PBX PBC ( 1 4 3 4 0 0)
Any further DFT definition will be discarded
Please, verify this is what you really want
file Fe.rel-pbe-kjpaw.UPF: wavefunction(s) 3D renormalized
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 242 145 49 3481 1575 336
Max 245 146 50 3482 1576 339
Sum 487 291 99 6963 3151 675
high-symmetry point: 1.0000 0.0000 0.0000 x coordinate 0.0000
high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 1.0000
high-symmetry point: 0.0000 0.0000 1.0000 x coordinate 2.0000
Plottable bands (eV) written to file fe.band.gnu
Bands written to file fe.band
**************************************************************************
xk=( 1.00000, 0.00000, 0.00000 )
the magnetic double point group is D_4h(4/mmm) [C_4h (4/m) ]
using the double point group C_4h (4/m)
there are 16 classes and 8 irreducible representations
the character table:
E -E C4 -C4 C2 -C2 C4^3 -C4^3 i -i S4^3 -S4^3
G_5+ 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 1.00 -1.00 0.71 -0.71
G_6+ 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 1.00 -1.00 0.71 -0.71
G_7+ 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 1.00 -1.00 -0.71 0.71
G_8+ 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 1.00 -1.00 -0.71 0.71
G_5- 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71
G_6- 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71
G_7- 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71
G_8- 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71
s_h -s_h S4 -S4
G_5+ 0.00 0.00 0.71 -0.71
G_6+ 0.00 0.00 0.71 -0.71
G_7+ 0.00 0.00 -0.71 0.71
G_8+ 0.00 0.00 -0.71 0.71
G_5- 0.00 0.00 -0.71 0.71
G_6- 0.00 0.00 -0.71 0.71
G_7- 0.00 0.00 0.71 -0.71
G_8- 0.00 0.00 0.71 -0.71
imaginary part
E -E C4 -C4 C2 -C2 C4^3 -C4^3 i -i S4^3 -S4^3
G_5+ 0.00 0.00 0.71 -0.71 1.00 -1.00 -0.71 0.71 0.00 0.00 0.71 -0.71
G_6+ 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 0.00 0.00 -0.71 0.71
G_7+ 0.00 0.00 -0.71 0.71 1.00 -1.00 0.71 -0.71 0.00 0.00 -0.71 0.71
G_8+ 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 0.00 0.00 0.71 -0.71
G_5- 0.00 0.00 0.71 -0.71 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71
G_6- 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 0.00 0.00 0.71 -0.71
G_7- 0.00 0.00 -0.71 0.71 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71
G_8- 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 0.00 0.00 -0.71 0.71
s_h -s_h S4 -S4
G_5+ 1.00 -1.00 -0.71 0.71
G_6+ -1.00 1.00 0.71 -0.71
G_7+ 1.00 -1.00 0.71 -0.71
G_8+ -1.00 1.00 -0.71 0.71
G_5- -1.00 1.00 0.71 -0.71
G_6- 1.00 -1.00 -0.71 0.71
G_7- -1.00 1.00 -0.71 0.71
G_8- 1.00 -1.00 0.71 -0.71
the symmetry operations in each class and the name of the first element:
E 1
-E -1
C4 4
-C4 -4
C2 2
-C2 -2
C4^3 3
-C4^3 -3
i 5
-i -5
S4^3 8
-S4^3 -8
s_h 6
-s_h -6
S4 7
-S4 -7
Band symmetry, D_4h(4/mmm) [C_4h (4/m) ] magnetic double point group,
using C_4h (4/m)
e( 1 - 1) = 7.89478 eV 1 --> G_6+
e( 2 - 2) = 7.89507 eV 1 --> G_8+
e( 3 - 3) = 9.74736 eV 1 --> G_5+
e( 4 - 4) = 9.74842 eV 1 --> G_7+
e( 5 - 5) = 12.63556 eV 1 --> G_5+
e( 6 - 6) = 12.67014 eV 1 --> G_8+
e( 7 - 7) = 12.70498 eV 1 --> G_7+
e( 8 - 8) = 14.76880 eV 1 --> G_6+
e( 9 - 9) = 14.80545 eV 1 --> G_7+
e( 10 - 10) = 14.83998 eV 1 --> G_8+
e( 11 - 11) = 22.04158 eV 1 --> G_5-
e( 12 - 12) = 22.10249 eV 1 --> G_6-
e( 13 - 13) = 22.25417 eV 1 --> G_7-
e( 14 - 14) = 22.39215 eV 1 --> G_6-
e( 15 - 15) = 22.45149 eV 1 --> G_5-
e( 16 - 16) = 22.49669 eV 1 --> G_8-
**************************************************************************
**************************************************************************
xk=( 0.97500, 0.00000, 0.00000 )
the magnetic double point group is C_2v (mm2) [C_s (m) ]
using the double point group C_s (m)
there are 4 classes and 2 irreducible representations
the character table:
E -E s -s
G_3 1.00 -1.00 0.00 0.00
G_4 1.00 -1.00 0.00 0.00
imaginary part
E -E s -s
G_3 0.00 0.00 1.00 -1.00
G_4 0.00 0.00 -1.00 1.00
the symmetry operations in each class and the name of the first element:
E 1
-E -1
s 2
-s -2
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 7.90012 eV 1 --> G_4
e( 2 - 2) = 7.90052 eV 1 --> G_4
e( 3 - 3) = 9.75227 eV 1 --> G_3
e( 4 - 4) = 9.75414 eV 1 --> G_3
e( 5 - 5) = 12.62822 eV 1 --> G_3
e( 6 - 6) = 12.65943 eV 1 --> G_4
e( 7 - 7) = 12.69792 eV 1 --> G_3
e( 8 - 8) = 14.75921 eV 1 --> G_4
e( 9 - 9) = 14.79107 eV 1 --> G_3
e( 10 - 10) = 14.83101 eV 1 --> G_4
e( 11 - 11) = 21.99297 eV 1 --> G_4
e( 12 - 12) = 22.11175 eV 1 --> G_3
e( 13 - 13) = 22.22926 eV 1 --> G_4
e( 14 - 14) = 22.35912 eV 1 --> G_3
e( 15 - 15) = 22.47448 eV 1 --> G_4
e( 16 - 16) = 22.49011 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.95000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 7.91608 eV 1 --> G_4
e( 2 - 2) = 7.91709 eV 1 --> G_4
e( 3 - 3) = 9.76512 eV 1 --> G_3
e( 4 - 4) = 9.77319 eV 1 --> G_3
e( 5 - 5) = 12.60460 eV 1 --> G_3
e( 6 - 6) = 12.62791 eV 1 --> G_4
e( 7 - 7) = 12.67899 eV 1 --> G_3
e( 8 - 8) = 14.72717 eV 1 --> G_4
e( 9 - 9) = 14.74888 eV 1 --> G_3
e( 10 - 10) = 14.80842 eV 1 --> G_4
e( 11 - 11) = 21.75371 eV 1 --> G_4
e( 12 - 12) = 22.03860 eV 1 --> G_3
e( 13 - 13) = 22.25866 eV 1 --> G_4
e( 14 - 14) = 22.28821 eV 1 --> G_3
e( 15 - 15) = 22.55175 eV 1 --> G_4
e( 16 - 16) = 22.55457 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.92500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 7.94274 eV 1 --> G_4
e( 2 - 2) = 7.94383 eV 1 --> G_4
e( 3 - 3) = 9.78527 eV 1 --> G_3
e( 4 - 4) = 9.80520 eV 1 --> G_3
e( 5 - 5) = 12.56149 eV 1 --> G_3
e( 6 - 6) = 12.57695 eV 1 --> G_4
e( 7 - 7) = 12.65287 eV 1 --> G_3
e( 8 - 8) = 14.66763 eV 1 --> G_4
e( 9 - 9) = 14.68109 eV 1 --> G_3
e( 10 - 10) = 14.77953 eV 1 --> G_4
e( 11 - 11) = 21.34257 eV 1 --> G_4
e( 12 - 12) = 21.72450 eV 1 --> G_3
e( 13 - 13) = 22.36557 eV 1 --> G_4
e( 14 - 14) = 22.37099 eV 1 --> G_3
e( 15 - 15) = 22.68360 eV 1 --> G_4
e( 16 - 16) = 22.68445 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.90000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 7.97957 eV 1 --> G_4
e( 2 - 2) = 7.98016 eV 1 --> G_4
e( 3 - 3) = 9.81171 eV 1 --> G_3
e( 4 - 4) = 9.84955 eV 1 --> G_3
e( 5 - 5) = 12.49731 eV 1 --> G_3
e( 6 - 6) = 12.50736 eV 1 --> G_4
e( 7 - 7) = 12.62196 eV 1 --> G_3
e( 8 - 8) = 14.58115 eV 1 --> G_4
e( 9 - 9) = 14.58991 eV 1 --> G_3
e( 10 - 10) = 14.74603 eV 1 --> G_4
e( 11 - 11) = 20.83020 eV 1 --> G_4
e( 12 - 12) = 21.29380 eV 1 --> G_3
e( 13 - 13) = 22.52500 eV 1 --> G_4
e( 14 - 14) = 22.52680 eV 1 --> G_3
e( 15 - 15) = 22.86560 eV 1 --> G_4
e( 16 - 16) = 22.86596 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.87500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.02522 eV 1 --> G_4
e( 2 - 2) = 8.02710 eV 1 --> G_4
e( 3 - 3) = 9.84296 eV 1 --> G_3
e( 4 - 4) = 9.90660 eV 1 --> G_3
e( 5 - 5) = 12.41547 eV 1 --> G_3
e( 6 - 6) = 12.42233 eV 1 --> G_4
e( 7 - 7) = 12.58668 eV 1 --> G_3
e( 8 - 8) = 14.47375 eV 1 --> G_4
e( 9 - 9) = 14.48000 eV 1 --> G_3
e( 10 - 10) = 14.70727 eV 1 --> G_4
e( 11 - 11) = 20.25839 eV 1 --> G_4
e( 12 - 12) = 20.80230 eV 1 --> G_3
e( 13 - 13) = 22.72879 eV 1 --> G_4
e( 14 - 14) = 22.72958 eV 1 --> G_3
e( 15 - 15) = 23.09349 eV 1 --> G_4
e( 16 - 16) = 23.09367 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.85000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.07749 eV 1 --> G_4
e( 2 - 2) = 8.08409 eV 1 --> G_4
e( 3 - 3) = 9.87662 eV 1 --> G_3
e( 4 - 4) = 9.97539 eV 1 --> G_3
e( 5 - 5) = 12.31896 eV 1 --> G_3
e( 6 - 6) = 12.32393 eV 1 --> G_4
e( 7 - 7) = 12.54553 eV 1 --> G_3
e( 8 - 8) = 14.34999 eV 1 --> G_4
e( 9 - 9) = 14.35481 eV 1 --> G_3
e( 10 - 10) = 14.66152 eV 1 --> G_4
e( 11 - 11) = 19.65339 eV 1 --> G_4
e( 12 - 12) = 20.27751 eV 1 --> G_3
e( 13 - 13) = 22.97261 eV 1 --> G_4
e( 14 - 14) = 22.97299 eV 1 --> G_3
e( 15 - 15) = 23.36292 eV 1 --> G_4
e( 16 - 16) = 23.36303 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.82500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.13501 eV 1 --> G_4
e( 2 - 2) = 8.15070 eV 1 --> G_4
e( 3 - 3) = 9.90973 eV 1 --> G_3
e( 4 - 4) = 10.05588 eV 1 --> G_3
e( 5 - 5) = 12.21084 eV 1 --> G_3
e( 6 - 6) = 12.21460 eV 1 --> G_4
e( 7 - 7) = 12.49855 eV 1 --> G_3
e( 8 - 8) = 14.21410 eV 1 --> G_4
e( 9 - 9) = 14.21805 eV 1 --> G_3
e( 10 - 10) = 14.60894 eV 1 --> G_4
e( 11 - 11) = 19.03234 eV 1 --> G_4
e( 12 - 12) = 19.73803 eV 1 --> G_3
e( 13 - 13) = 23.25296 eV 1 --> G_4
e( 14 - 14) = 23.25315 eV 1 --> G_3
e( 15 - 16) = 23.66971 eV 2 --> G_3
e( 15 - 16) = 23.66971 eV 2 --> G_4
**************************************************************************
**************************************************************************
xk=( 0.80000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.19662 eV 1 --> G_4
e( 2 - 2) = 8.22667 eV 1 --> G_4
e( 3 - 3) = 9.93959 eV 1 --> G_3
e( 4 - 4) = 10.14787 eV 1 --> G_3
e( 5 - 5) = 12.09508 eV 1 --> G_3
e( 6 - 6) = 12.09806 eV 1 --> G_4
e( 7 - 7) = 12.44583 eV 1 --> G_3
e( 8 - 8) = 14.07106 eV 1 --> G_4
e( 9 - 9) = 14.07445 eV 1 --> G_3
e( 10 - 10) = 14.54976 eV 1 --> G_4
e( 11 - 11) = 18.40708 eV 1 --> G_4
e( 12 - 12) = 19.19781 eV 1 --> G_3
e( 13 - 14) = 23.56673 eV 2 --> G_3
e( 13 - 14) = 23.56673 eV 2 --> G_4
e( 15 - 16) = 24.00991 eV 2 --> G_3
e( 15 - 16) = 24.00991 eV 2 --> G_4
**************************************************************************
**************************************************************************
xk=( 0.77500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.25968 eV 1 --> G_4
e( 2 - 2) = 8.31154 eV 1 --> G_4
e( 3 - 3) = 9.96203 eV 1 --> G_3
e( 4 - 4) = 10.25083 eV 1 --> G_3
e( 5 - 5) = 11.97393 eV 1 --> G_3
e( 6 - 6) = 11.97636 eV 1 --> G_4
e( 7 - 7) = 12.38810 eV 1 --> G_3
e( 8 - 8) = 13.92380 eV 1 --> G_4
e( 9 - 9) = 13.92681 eV 1 --> G_3
e( 10 - 10) = 14.48472 eV 1 --> G_4
e( 11 - 11) = 17.78597 eV 1 --> G_4
e( 12 - 12) = 18.66740 eV 1 --> G_3
e( 13 - 14) = 23.91100 eV 2 --> G_3
e( 13 - 14) = 23.91100 eV 2 --> G_4
e( 15 - 16) = 24.37991 eV 2 --> G_3
e( 15 - 16) = 24.37991 eV 2 --> G_4
**************************************************************************
**************************************************************************
xk=( 0.75000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.32119 eV 1 --> G_4
e( 2 - 2) = 8.40485 eV 1 --> G_4
e( 3 - 3) = 9.97233 eV 1 --> G_3
e( 4 - 4) = 10.36428 eV 1 --> G_3
e( 5 - 5) = 11.84971 eV 1 --> G_3
e( 6 - 6) = 11.85173 eV 1 --> G_4
e( 7 - 7) = 12.32452 eV 1 --> G_3
e( 8 - 8) = 13.77512 eV 1 --> G_4
e( 9 - 9) = 13.77789 eV 1 --> G_3
e( 10 - 10) = 14.41315 eV 1 --> G_4
e( 11 - 11) = 17.17549 eV 1 --> G_4
e( 12 - 12) = 18.15547 eV 1 --> G_3
e( 13 - 14) = 24.28307 eV 2 --> G_3
e( 13 - 14) = 24.28307 eV 2 --> G_4
e( 15 - 16) = 24.77643 eV 2 --> G_3
e( 15 - 16) = 24.77643 eV 2 --> G_4
**************************************************************************
**************************************************************************
xk=( 0.72500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.37806 eV 1 --> G_4
e( 2 - 2) = 8.50550 eV 1 --> G_4
e( 3 - 3) = 9.96557 eV 1 --> G_3
e( 4 - 4) = 10.48712 eV 1 --> G_3
e( 5 - 5) = 11.72419 eV 1 --> G_3
e( 6 - 6) = 11.72588 eV 1 --> G_4
e( 7 - 7) = 12.25592 eV 1 --> G_3
e( 8 - 8) = 13.62709 eV 1 --> G_4
e( 9 - 9) = 13.62970 eV 1 --> G_3
e( 10 - 10) = 14.33590 eV 1 --> G_4
e( 11 - 11) = 16.58099 eV 1 --> G_4
e( 12 - 12) = 17.66952 eV 1 --> G_3
e( 13 - 14) = 24.68050 eV 2 --> G_3
e( 13 - 14) = 24.68050 eV 2 --> G_4
e( 15 - 16) = 25.19664 eV 2 --> G_3
e( 15 - 16) = 25.19664 eV 2 --> G_4
**************************************************************************
**************************************************************************
xk=( 0.70000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.42679 eV 1 --> G_4
e( 2 - 2) = 8.61407 eV 1 --> G_4
e( 3 - 3) = 9.93653 eV 1 --> G_3
e( 4 - 4) = 10.61972 eV 1 --> G_3
e( 5 - 5) = 11.60010 eV 1 --> G_3
e( 6 - 6) = 11.60147 eV 1 --> G_4
e( 7 - 7) = 12.18298 eV 1 --> G_3
e( 8 - 8) = 13.48260 eV 1 --> G_4
e( 9 - 9) = 13.48514 eV 1 --> G_3
e( 10 - 10) = 14.25371 eV 1 --> G_4
e( 11 - 11) = 16.00727 eV 1 --> G_4
e( 12 - 12) = 17.21616 eV 1 --> G_3
e( 13 - 14) = 25.10108 eV 2 --> G_3
e( 13 - 14) = 25.10108 eV 2 --> G_4
e( 15 - 16) = 25.63802 eV 2 --> G_3
e( 15 - 16) = 25.63802 eV 2 --> G_4
**************************************************************************
**************************************************************************
xk=( 0.67500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.46278 eV 1 --> G_4
e( 2 - 2) = 8.72937 eV 1 --> G_4
e( 3 - 3) = 9.87966 eV 1 --> G_3
e( 4 - 4) = 10.76079 eV 1 --> G_3
e( 5 - 5) = 11.47862 eV 1 --> G_3
e( 6 - 6) = 11.47960 eV 1 --> G_4
e( 7 - 7) = 12.10607 eV 1 --> G_3
e( 8 - 8) = 13.34283 eV 1 --> G_4
e( 9 - 9) = 13.34537 eV 1 --> G_3
e( 10 - 10) = 14.16700 eV 1 --> G_4
e( 11 - 11) = 15.45871 eV 1 --> G_4
e( 12 - 12) = 16.80066 eV 1 --> G_3
e( 13 - 14) = 25.54277 eV 2 --> G_3
e( 13 - 14) = 25.54277 eV 2 --> G_4
e( 15 - 16) = 26.09836 eV 2 --> G_3
e( 15 - 16) = 26.09836 eV 2 --> G_4
**************************************************************************
**************************************************************************
xk=( 0.65000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.48241 eV 1 --> G_4
e( 2 - 2) = 8.85072 eV 1 --> G_4
e( 3 - 3) = 9.79104 eV 1 --> G_3
e( 4 - 4) = 10.90929 eV 1 --> G_3
e( 5 - 5) = 11.36140 eV 1 --> G_3
e( 6 - 6) = 11.36164 eV 1 --> G_4
e( 7 - 7) = 12.02577 eV 1 --> G_3
e( 8 - 8) = 13.20916 eV 1 --> G_4
e( 9 - 9) = 13.21180 eV 1 --> G_3
e( 10 - 10) = 14.07633 eV 1 --> G_4
e( 11 - 11) = 14.94033 eV 1 --> G_4
e( 12 - 12) = 16.42829 eV 1 --> G_3
e( 13 - 14) = 26.00374 eV 2 --> G_3
e( 13 - 14) = 26.00374 eV 2 --> G_4
e( 15 - 15) = 26.57569 eV 1 --> G_4
e( 16 - 16) = 26.57581 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.62500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.48031 eV 1 --> G_4
e( 2 - 2) = 8.97740 eV 1 --> G_4
e( 3 - 3) = 9.66694 eV 1 --> G_3
e( 4 - 4) = 11.06268 eV 1 --> G_3
e( 5 - 5) = 11.24866 eV 1 --> G_4
e( 6 - 6) = 11.25109 eV 1 --> G_3
e( 7 - 7) = 11.94272 eV 1 --> G_3
e( 8 - 8) = 13.08256 eV 1 --> G_4
e( 9 - 9) = 13.08545 eV 1 --> G_3
e( 10 - 10) = 13.98230 eV 1 --> G_4
e( 11 - 11) = 14.45664 eV 1 --> G_4
e( 12 - 12) = 16.10163 eV 1 --> G_3
e( 13 - 14) = 26.48231 eV 2 --> G_3
e( 13 - 14) = 26.48231 eV 2 --> G_4
e( 15 - 15) = 27.06827 eV 1 --> G_4
e( 16 - 16) = 27.06841 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.60000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.45146 eV 1 --> G_4
e( 2 - 2) = 9.10866 eV 1 --> G_4
e( 3 - 3) = 9.50585 eV 1 --> G_3
e( 4 - 4) = 11.13118 eV 1 --> G_3
e( 5 - 5) = 11.14152 eV 1 --> G_4
e( 6 - 6) = 11.23713 eV 1 --> G_3
e( 7 - 7) = 11.85784 eV 1 --> G_3
e( 8 - 8) = 12.96377 eV 1 --> G_4
e( 9 - 9) = 12.96712 eV 1 --> G_3
e( 10 - 10) = 13.88551 eV 1 --> G_4
e( 11 - 11) = 14.01236 eV 1 --> G_4
e( 12 - 12) = 15.82157 eV 1 --> G_3
e( 13 - 14) = 26.97696 eV 2 --> G_3
e( 13 - 14) = 26.97696 eV 2 --> G_4
e( 15 - 15) = 27.57447 eV 1 --> G_4
e( 16 - 16) = 27.57464 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.57500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.39114 eV 1 --> G_4
e( 2 - 2) = 9.24367 eV 1 --> G_4
e( 3 - 3) = 9.30847 eV 1 --> G_3
e( 4 - 4) = 11.03675 eV 1 --> G_3
e( 5 - 5) = 11.04092 eV 1 --> G_4
e( 6 - 6) = 11.39591 eV 1 --> G_3
e( 7 - 7) = 11.77310 eV 1 --> G_3
e( 8 - 8) = 12.85322 eV 1 --> G_4
e( 9 - 9) = 12.85742 eV 1 --> G_3
e( 10 - 10) = 13.61191 eV 1 --> G_4
e( 11 - 11) = 13.78662 eV 1 --> G_4
e( 12 - 12) = 15.58670 eV 1 --> G_3
e( 13 - 14) = 27.48625 eV 2 --> G_3
e( 13 - 14) = 27.48625 eV 2 --> G_4
e( 15 - 15) = 28.09280 eV 1 --> G_4
e( 16 - 16) = 28.09302 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.55000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.29586 eV 1 --> G_4
e( 2 - 2) = 9.07790 eV 1 --> G_3
e( 3 - 3) = 9.38160 eV 1 --> G_4
e( 4 - 4) = 10.94436 eV 1 --> G_3
e( 5 - 5) = 10.94748 eV 1 --> G_4
e( 6 - 6) = 11.55044 eV 1 --> G_3
e( 7 - 7) = 11.70069 eV 1 --> G_3
e( 8 - 8) = 12.75107 eV 1 --> G_4
e( 9 - 9) = 12.75687 eV 1 --> G_3
e( 10 - 10) = 13.25935 eV 1 --> G_4
e( 11 - 11) = 13.68623 eV 1 --> G_4
e( 12 - 12) = 15.39389 eV 1 --> G_3
e( 13 - 14) = 28.00886 eV 2 --> G_3
e( 13 - 14) = 28.00886 eV 2 --> G_4
e( 15 - 15) = 28.62180 eV 1 --> G_4
e( 16 - 16) = 28.62212 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.52500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 8.16313 eV 1 --> G_4
e( 2 - 2) = 8.81851 eV 1 --> G_3
e( 3 - 3) = 9.52155 eV 1 --> G_4
e( 4 - 4) = 10.85870 eV 1 --> G_3
e( 5 - 5) = 10.86135 eV 1 --> G_4
e( 6 - 6) = 11.56664 eV 1 --> G_3
e( 7 - 7) = 11.76960 eV 1 --> G_3
e( 8 - 8) = 12.65615 eV 1 --> G_4
e( 9 - 9) = 12.66550 eV 1 --> G_3
e( 10 - 10) = 12.95688 eV 1 --> G_4
e( 11 - 11) = 13.58499 eV 1 --> G_4
e( 12 - 12) = 15.23715 eV 1 --> G_3
e( 13 - 14) = 28.54345 eV 2 --> G_3
e( 13 - 14) = 28.54345 eV 2 --> G_4
e( 15 - 15) = 29.15985 eV 1 --> G_4
e( 16 - 16) = 29.16050 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.50000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 7.99371 eV 1 --> G_4
e( 2 - 2) = 8.53633 eV 1 --> G_3
e( 3 - 3) = 9.66262 eV 1 --> G_4
e( 4 - 4) = 10.78048 eV 1 --> G_3
e( 5 - 5) = 10.78288 eV 1 --> G_4
e( 6 - 6) = 11.48602 eV 1 --> G_3
e( 7 - 7) = 11.93736 eV 1 --> G_3
e( 8 - 8) = 12.56331 eV 1 --> G_4
e( 9 - 9) = 12.58356 eV 1 --> G_3
e( 10 - 10) = 12.70953 eV 1 --> G_4
e( 11 - 11) = 13.48354 eV 1 --> G_4
e( 12 - 12) = 15.11080 eV 1 --> G_3
e( 13 - 13) = 29.08876 eV 1 --> G_4
e( 14 - 14) = 29.08888 eV 1 --> G_3
e( 15 - 15) = 29.67566 eV 1 --> G_4
e( 16 - 16) = 29.70668 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.47500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 7.79074 eV 1 --> G_4
e( 2 - 2) = 8.23760 eV 1 --> G_3
e( 3 - 3) = 9.80388 eV 1 --> G_4
e( 4 - 4) = 10.70988 eV 1 --> G_3
e( 5 - 5) = 10.71218 eV 1 --> G_4
e( 6 - 6) = 11.39828 eV 1 --> G_3
e( 7 - 7) = 12.11337 eV 1 --> G_3
e( 8 - 8) = 12.44181 eV 1 --> G_4
e( 9 - 9) = 12.51122 eV 1 --> G_3
e( 10 - 10) = 12.54492 eV 1 --> G_4
e( 11 - 11) = 13.38251 eV 1 --> G_4
e( 12 - 12) = 15.00862 eV 1 --> G_3
e( 13 - 13) = 29.64341 eV 1 --> G_4
e( 14 - 14) = 29.64373 eV 1 --> G_3
e( 15 - 15) = 29.92028 eV 1 --> G_4
e( 16 - 16) = 30.25872 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.45000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 7.55966 eV 1 --> G_4
e( 2 - 2) = 7.92845 eV 1 --> G_3
e( 3 - 3) = 9.94438 eV 1 --> G_4
e( 4 - 4) = 10.64743 eV 1 --> G_3
e( 5 - 5) = 10.64980 eV 1 --> G_4
e( 6 - 6) = 11.31004 eV 1 --> G_3
e( 7 - 7) = 12.28895 eV 1 --> G_4
e( 8 - 8) = 12.28906 eV 1 --> G_3
e( 9 - 9) = 12.45027 eV 1 --> G_3
e( 10 - 10) = 12.46125 eV 1 --> G_4
e( 11 - 11) = 13.28269 eV 1 --> G_4
e( 12 - 12) = 14.92512 eV 1 --> G_3
e( 13 - 13) = 30.17419 eV 1 --> G_4
e( 14 - 14) = 30.20665 eV 1 --> G_3
e( 15 - 15) = 30.21021 eV 1 --> G_4
e( 16 - 16) = 30.69224 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.42500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 7.30713 eV 1 --> G_4
e( 2 - 2) = 7.61443 eV 1 --> G_3
e( 3 - 3) = 10.08305 eV 1 --> G_4
e( 4 - 4) = 10.59189 eV 1 --> G_3
e( 5 - 5) = 10.59458 eV 1 --> G_4
e( 6 - 6) = 11.22254 eV 1 --> G_3
e( 7 - 7) = 12.15411 eV 1 --> G_4
e( 8 - 8) = 12.38407 eV 1 --> G_3
e( 9 - 9) = 12.40103 eV 1 --> G_4
e( 10 - 10) = 12.47751 eV 1 --> G_3
e( 11 - 11) = 13.18435 eV 1 --> G_4
e( 12 - 12) = 14.85485 eV 1 --> G_3
e( 13 - 13) = 30.45479 eV 1 --> G_4
e( 14 - 14) = 30.77575 eV 1 --> G_3
e( 15 - 15) = 30.77677 eV 1 --> G_4
e( 16 - 16) = 30.92625 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.40000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 7.04042 eV 1 --> G_4
e( 2 - 2) = 7.30054 eV 1 --> G_3
e( 3 - 3) = 10.21871 eV 1 --> G_4
e( 4 - 4) = 10.54357 eV 1 --> G_3
e( 5 - 5) = 10.54712 eV 1 --> G_4
e( 6 - 6) = 11.13673 eV 1 --> G_3
e( 7 - 7) = 12.04326 eV 1 --> G_4
e( 8 - 8) = 12.34259 eV 1 --> G_3
e( 9 - 9) = 12.35222 eV 1 --> G_4
e( 10 - 10) = 12.64742 eV 1 --> G_3
e( 11 - 11) = 13.08825 eV 1 --> G_4
e( 12 - 12) = 14.79406 eV 1 --> G_3
e( 13 - 13) = 30.75313 eV 1 --> G_4
e( 14 - 14) = 31.17705 eV 1 --> G_3
e( 15 - 15) = 31.35120 eV 1 --> G_4
e( 16 - 16) = 31.35195 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.37500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 6.76644 eV 1 --> G_4
e( 2 - 2) = 6.99106 eV 1 --> G_3
e( 3 - 3) = 10.34896 eV 1 --> G_4
e( 4 - 4) = 10.50219 eV 1 --> G_3
e( 5 - 5) = 10.50864 eV 1 --> G_4
e( 6 - 6) = 11.05324 eV 1 --> G_3
e( 7 - 7) = 11.95305 eV 1 --> G_4
e( 8 - 8) = 12.30482 eV 1 --> G_3
e( 9 - 9) = 12.31242 eV 1 --> G_4
e( 10 - 10) = 12.81807 eV 1 --> G_3
e( 11 - 11) = 12.99498 eV 1 --> G_4
e( 12 - 12) = 14.74037 eV 1 --> G_3
e( 13 - 13) = 31.07267 eV 1 --> G_4
e( 14 - 14) = 31.45065 eV 1 --> G_3
e( 15 - 15) = 31.92870 eV 1 --> G_4
e( 16 - 16) = 31.92910 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.35000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 6.49121 eV 1 --> G_4
e( 2 - 2) = 6.68956 eV 1 --> G_3
e( 3 - 3) = 10.44564 eV 1 --> G_4
e( 4 - 4) = 10.46723 eV 1 --> G_3
e( 5 - 5) = 10.50589 eV 1 --> G_4
e( 6 - 6) = 10.97263 eV 1 --> G_3
e( 7 - 7) = 11.87783 eV 1 --> G_4
e( 8 - 8) = 12.27388 eV 1 --> G_3
e( 9 - 9) = 12.28034 eV 1 --> G_4
e( 10 - 10) = 12.90508 eV 1 --> G_4
e( 11 - 11) = 12.98440 eV 1 --> G_3
e( 12 - 12) = 14.69027 eV 1 --> G_3
e( 13 - 13) = 31.41402 eV 1 --> G_4
e( 14 - 14) = 31.74550 eV 1 --> G_3
e( 15 - 15) = 32.50672 eV 1 --> G_4
e( 16 - 16) = 32.50711 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.32500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 6.22000 eV 1 --> G_4
e( 2 - 2) = 6.39913 eV 1 --> G_3
e( 3 - 3) = 10.43469 eV 1 --> G_4
e( 4 - 4) = 10.43856 eV 1 --> G_3
e( 5 - 5) = 10.61211 eV 1 --> G_4
e( 6 - 6) = 10.89568 eV 1 --> G_3
e( 7 - 7) = 11.81344 eV 1 --> G_4
e( 8 - 8) = 12.24976 eV 1 --> G_3
e( 9 - 9) = 12.25542 eV 1 --> G_4
e( 10 - 10) = 12.81934 eV 1 --> G_4
e( 11 - 11) = 13.14501 eV 1 --> G_3
e( 12 - 12) = 14.64201 eV 1 --> G_3
e( 13 - 13) = 31.77758 eV 1 --> G_4
e( 14 - 14) = 32.06249 eV 1 --> G_3
e( 15 - 15) = 33.08209 eV 1 --> G_4
e( 16 - 16) = 33.08251 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.30000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 5.95713 eV 1 --> G_4
e( 2 - 2) = 6.12235 eV 1 --> G_3
e( 3 - 3) = 10.41354 eV 1 --> G_4
e( 4 - 4) = 10.41505 eV 1 --> G_3
e( 5 - 5) = 10.72765 eV 1 --> G_4
e( 6 - 6) = 10.82233 eV 1 --> G_3
e( 7 - 7) = 11.75898 eV 1 --> G_4
e( 8 - 8) = 12.23146 eV 1 --> G_3
e( 9 - 9) = 12.23651 eV 1 --> G_4
e( 10 - 10) = 12.73773 eV 1 --> G_4
e( 11 - 11) = 13.29838 eV 1 --> G_3
e( 12 - 12) = 14.59672 eV 1 --> G_3
e( 13 - 13) = 32.16352 eV 1 --> G_4
e( 14 - 14) = 32.40199 eV 1 --> G_3
e( 15 - 15) = 33.65064 eV 1 --> G_4
e( 16 - 16) = 33.65107 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.27500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 5.70613 eV 1 --> G_4
e( 2 - 2) = 5.86138 eV 1 --> G_3
e( 3 - 3) = 10.39594 eV 1 --> G_4
e( 4 - 4) = 10.39641 eV 1 --> G_3
e( 5 - 5) = 10.75330 eV 1 --> G_3
e( 6 - 6) = 10.83788 eV 1 --> G_4
e( 7 - 7) = 11.71137 eV 1 --> G_4
e( 8 - 8) = 12.21850 eV 1 --> G_3
e( 9 - 9) = 12.22301 eV 1 --> G_4
e( 10 - 10) = 12.66100 eV 1 --> G_4
e( 11 - 11) = 13.44354 eV 1 --> G_3
e( 12 - 12) = 14.55307 eV 1 --> G_3
e( 13 - 13) = 32.57175 eV 1 --> G_4
e( 14 - 14) = 32.76401 eV 1 --> G_3
e( 15 - 15) = 34.20680 eV 1 --> G_4
e( 16 - 16) = 34.20723 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.25000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 5.46986 eV 1 --> G_4
e( 2 - 2) = 5.61806 eV 1 --> G_3
e( 3 - 3) = 10.38203 eV 1 --> G_3
e( 4 - 4) = 10.38230 eV 1 --> G_4
e( 5 - 5) = 10.68903 eV 1 --> G_3
e( 6 - 6) = 10.94110 eV 1 --> G_4
e( 7 - 7) = 11.66918 eV 1 --> G_4
e( 8 - 8) = 12.21015 eV 1 --> G_3
e( 9 - 9) = 12.21412 eV 1 --> G_4
e( 10 - 10) = 12.58960 eV 1 --> G_4
e( 11 - 11) = 13.57947 eV 1 --> G_3
e( 12 - 12) = 14.51106 eV 1 --> G_3
e( 13 - 13) = 33.00185 eV 1 --> G_4
e( 14 - 14) = 33.14817 eV 1 --> G_3
e( 15 - 15) = 34.74305 eV 1 --> G_4
e( 16 - 16) = 34.74346 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.22500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 5.25065 eV 1 --> G_4
e( 2 - 2) = 5.39394 eV 1 --> G_3
e( 3 - 3) = 10.37124 eV 1 --> G_3
e( 4 - 4) = 10.37224 eV 1 --> G_4
e( 5 - 5) = 10.62992 eV 1 --> G_3
e( 6 - 6) = 11.03643 eV 1 --> G_4
e( 7 - 7) = 11.63151 eV 1 --> G_4
e( 8 - 8) = 12.20562 eV 1 --> G_3
e( 9 - 9) = 12.20903 eV 1 --> G_4
e( 10 - 10) = 12.52396 eV 1 --> G_4
e( 11 - 11) = 13.70523 eV 1 --> G_3
e( 12 - 12) = 14.47092 eV 1 --> G_3
e( 13 - 13) = 33.45285 eV 1 --> G_4
e( 14 - 14) = 33.55345 eV 1 --> G_3
e( 15 - 15) = 35.24941 eV 1 --> G_4
e( 16 - 16) = 35.24978 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.20000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 5.05040 eV 1 --> G_4
e( 2 - 2) = 5.19031 eV 1 --> G_3
e( 3 - 3) = 10.36338 eV 1 --> G_3
e( 4 - 4) = 10.36522 eV 1 --> G_4
e( 5 - 5) = 10.57638 eV 1 --> G_3
e( 6 - 6) = 11.12323 eV 1 --> G_4
e( 7 - 7) = 11.59800 eV 1 --> G_4
e( 8 - 8) = 12.20416 eV 1 --> G_3
e( 9 - 9) = 12.20691 eV 1 --> G_4
e( 10 - 10) = 12.46447 eV 1 --> G_4
e( 11 - 11) = 13.81998 eV 1 --> G_3
e( 12 - 12) = 14.43327 eV 1 --> G_3
e( 13 - 13) = 33.92309 eV 1 --> G_4
e( 14 - 14) = 33.97801 eV 1 --> G_3
e( 15 - 15) = 35.71321 eV 1 --> G_4
e( 16 - 16) = 35.71352 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.17500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 4.87064 eV 1 --> G_4
e( 2 - 2) = 5.00828 eV 1 --> G_3
e( 3 - 3) = 10.35740 eV 1 --> G_3
e( 4 - 4) = 10.36036 eV 1 --> G_4
e( 5 - 5) = 10.52882 eV 1 --> G_3
e( 6 - 6) = 11.20083 eV 1 --> G_4
e( 7 - 7) = 11.56797 eV 1 --> G_4
e( 8 - 8) = 12.20470 eV 1 --> G_3
e( 9 - 9) = 12.20662 eV 1 --> G_4
e( 10 - 10) = 12.41154 eV 1 --> G_4
e( 11 - 11) = 13.92280 eV 1 --> G_3
e( 12 - 12) = 14.39811 eV 1 --> G_3
e( 13 - 13) = 34.40979 eV 1 --> G_4
e( 14 - 14) = 34.41875 eV 1 --> G_3
e( 15 - 15) = 36.11940 eV 1 --> G_4
e( 16 - 16) = 36.11968 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.15000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 4.71264 eV 1 --> G_4
e( 2 - 2) = 4.84879 eV 1 --> G_3
e( 3 - 3) = 10.35318 eV 1 --> G_3
e( 4 - 4) = 10.35773 eV 1 --> G_4
e( 5 - 5) = 10.48770 eV 1 --> G_3
e( 6 - 6) = 11.26901 eV 1 --> G_4
e( 7 - 7) = 11.54168 eV 1 --> G_4
e( 8 - 8) = 12.20712 eV 1 --> G_3
e( 9 - 9) = 12.20788 eV 1 --> G_4
e( 10 - 10) = 12.36560 eV 1 --> G_4
e( 11 - 11) = 14.01334 eV 1 --> G_3
e( 12 - 12) = 14.36633 eV 1 --> G_3
e( 13 - 13) = 34.87065 eV 1 --> G_3
e( 14 - 14) = 34.90843 eV 1 --> G_4
e( 15 - 15) = 36.42924 eV 1 --> G_4
e( 16 - 16) = 36.42937 eV 1 --> G_3
**************************************************************************
**************************************************************************
xk=( 0.12500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 4.57739 eV 1 --> G_4
e( 2 - 2) = 4.71260 eV 1 --> G_3
e( 3 - 3) = 10.34959 eV 1 --> G_3
e( 4 - 4) = 10.35650 eV 1 --> G_4
e( 5 - 5) = 10.45353 eV 1 --> G_3
e( 6 - 6) = 11.32726 eV 1 --> G_4
e( 7 - 7) = 11.51910 eV 1 --> G_4
e( 8 - 8) = 12.20948 eV 1 --> G_4
e( 9 - 9) = 12.21045 eV 1 --> G_3
e( 10 - 10) = 12.32713 eV 1 --> G_4
e( 11 - 11) = 14.09088 eV 1 --> G_3
e( 12 - 12) = 14.33840 eV 1 --> G_3
e( 13 - 13) = 35.32564 eV 1 --> G_3
e( 14 - 14) = 35.41159 eV 1 --> G_4
e( 15 - 16) = 36.60697 eV 2 --> G_3
e( 15 - 16) = 36.60697 eV 2 --> G_4
**************************************************************************
**************************************************************************
xk=( 0.10000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 4.46571 eV 1 --> G_4
e( 2 - 2) = 4.60034 eV 1 --> G_3
e( 3 - 3) = 10.34578 eV 1 --> G_3
e( 4 - 4) = 10.35620 eV 1 --> G_4
e( 5 - 5) = 10.42690 eV 1 --> G_3
e( 6 - 6) = 11.37527 eV 1 --> G_4
e( 7 - 7) = 11.50037 eV 1 --> G_4
e( 8 - 8) = 12.21037 eV 1 --> G_4
e( 9 - 9) = 12.21407 eV 1 --> G_3
e( 10 - 10) = 12.29675 eV 1 --> G_4
e( 11 - 11) = 14.15496 eV 1 --> G_3
e( 12 - 12) = 14.31480 eV 1 --> G_3
e( 13 - 13) = 35.77074 eV 1 --> G_3
e( 14 - 14) = 35.90691 eV 1 --> G_4
e( 15 - 16) = 36.72404 eV 2 --> G_3
e( 15 - 16) = 36.72404 eV 2 --> G_4
**************************************************************************
**************************************************************************
xk=( 0.07500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 4.37824 eV 1 --> G_4
e( 2 - 2) = 4.51253 eV 1 --> G_3
e( 3 - 3) = 10.34183 eV 1 --> G_3
e( 4 - 4) = 10.35711 eV 1 --> G_4
e( 5 - 5) = 10.40879 eV 1 --> G_3
e( 6 - 6) = 11.41316 eV 1 --> G_4
e( 7 - 7) = 11.48571 eV 1 --> G_4
e( 8 - 8) = 12.21020 eV 1 --> G_4
e( 9 - 9) = 12.21815 eV 1 --> G_3
e( 10 - 10) = 12.27570 eV 1 --> G_4
e( 11 - 11) = 14.20559 eV 1 --> G_3
e( 12 - 12) = 14.29600 eV 1 --> G_3
e( 13 - 13) = 36.18508 eV 1 --> G_3
e( 14 - 14) = 36.37341 eV 1 --> G_4
e( 15 - 15) = 36.79727 eV 1 --> G_3
e( 16 - 16) = 36.79738 eV 1 --> G_4
**************************************************************************
**************************************************************************
xk=( 0.05000, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 4.31543 eV 1 --> G_4
e( 2 - 2) = 4.44954 eV 1 --> G_3
e( 3 - 3) = 10.33712 eV 1 --> G_3
e( 4 - 4) = 10.35806 eV 1 --> G_4
e( 5 - 5) = 10.39766 eV 1 --> G_3
e( 6 - 6) = 11.43993 eV 1 --> G_4
e( 7 - 7) = 11.47558 eV 1 --> G_4
e( 8 - 8) = 12.20777 eV 1 --> G_4
e( 9 - 9) = 12.22143 eV 1 --> G_3
e( 10 - 10) = 12.26302 eV 1 --> G_4
e( 11 - 11) = 14.24172 eV 1 --> G_3
e( 12 - 12) = 14.28261 eV 1 --> G_3
e( 13 - 13) = 36.53621 eV 1 --> G_3
e( 14 - 14) = 36.77587 eV 1 --> G_4
e( 15 - 15) = 36.83954 eV 1 --> G_3
e( 16 - 16) = 36.83967 eV 1 --> G_4
**************************************************************************
**************************************************************************
xk=( 0.02500, 0.00000, 0.00000 )
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 4.27761 eV 1 --> G_4
e( 2 - 2) = 4.41163 eV 1 --> G_3
e( 3 - 3) = 10.33296 eV 1 --> G_3
e( 4 - 4) = 10.35840 eV 1 --> G_4
e( 5 - 5) = 10.39194 eV 1 --> G_3
e( 6 - 6) = 11.45542 eV 1 --> G_4
e( 7 - 7) = 11.46985 eV 1 --> G_4
e( 8 - 8) = 12.20444 eV 1 --> G_4
e( 9 - 9) = 12.22320 eV 1 --> G_3
e( 10 - 10) = 12.25696 eV 1 --> G_4
e( 11 - 11) = 14.26342 eV 1 --> G_3
e( 12 - 12) = 14.27430 eV 1 --> G_3
e( 13 - 13) = 36.77913 eV 1 --> G_3
e( 14 - 14) = 36.86081 eV 1 --> G_3
e( 15 - 15) = 36.86094 eV 1 --> G_4
e( 16 - 16) = 37.06047 eV 1 --> G_4
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.00000 )
the magnetic double point group is D_4h(4/mmm) [C_4h (4/m) ]
using the double point group C_4h (4/m)
there are 16 classes and 8 irreducible representations
the character table:
E -E C4 -C4 C2 -C2 C4^3 -C4^3 i -i S4^3 -S4^3
G_5+ 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 1.00 -1.00 0.71 -0.71
G_6+ 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 1.00 -1.00 0.71 -0.71
G_7+ 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 1.00 -1.00 -0.71 0.71
G_8+ 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 1.00 -1.00 -0.71 0.71
G_5- 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71
G_6- 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71
G_7- 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71
G_8- 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71
s_h -s_h S4 -S4
G_5+ 0.00 0.00 0.71 -0.71
G_6+ 0.00 0.00 0.71 -0.71
G_7+ 0.00 0.00 -0.71 0.71
G_8+ 0.00 0.00 -0.71 0.71
G_5- 0.00 0.00 -0.71 0.71
G_6- 0.00 0.00 -0.71 0.71
G_7- 0.00 0.00 0.71 -0.71
G_8- 0.00 0.00 0.71 -0.71
imaginary part
E -E C4 -C4 C2 -C2 C4^3 -C4^3 i -i S4^3 -S4^3
G_5+ 0.00 0.00 0.71 -0.71 1.00 -1.00 -0.71 0.71 0.00 0.00 0.71 -0.71
G_6+ 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 0.00 0.00 -0.71 0.71
G_7+ 0.00 0.00 -0.71 0.71 1.00 -1.00 0.71 -0.71 0.00 0.00 -0.71 0.71
G_8+ 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 0.00 0.00 0.71 -0.71
G_5- 0.00 0.00 0.71 -0.71 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71
G_6- 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 0.00 0.00 0.71 -0.71
G_7- 0.00 0.00 -0.71 0.71 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71
G_8- 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 0.00 0.00 -0.71 0.71
s_h -s_h S4 -S4
G_5+ 1.00 -1.00 -0.71 0.71
G_6+ -1.00 1.00 0.71 -0.71
G_7+ 1.00 -1.00 0.71 -0.71
G_8+ -1.00 1.00 -0.71 0.71
G_5- -1.00 1.00 0.71 -0.71
G_6- 1.00 -1.00 -0.71 0.71
G_7- -1.00 1.00 -0.71 0.71
G_8- 1.00 -1.00 0.71 -0.71
the symmetry operations in each class and the name of the first element:
E 1
-E -1
C4 4
-C4 -4
C2 2
-C2 -2
C4^3 3
-C4^3 -3
i 5
-i -5
S4^3 8
-S4^3 -8
s_h 6
-s_h -6
S4 7
-S4 -7
Band symmetry, D_4h(4/mmm) [C_4h (4/m) ] magnetic double point group,
using C_4h (4/m)
e( 1 - 1) = 4.26498 eV 1 --> G_6+
e( 2 - 2) = 4.39898 eV 1 --> G_5+
e( 3 - 3) = 10.33138 eV 1 --> G_5+
e( 4 - 4) = 10.35853 eV 1 --> G_8+
e( 5 - 5) = 10.39024 eV 1 --> G_7+
e( 6 - 6) = 11.45973 eV 1 --> G_6+
e( 7 - 7) = 11.46880 eV 1 --> G_8+
e( 8 - 8) = 12.20300 eV 1 --> G_6+
e( 9 - 9) = 12.22381 eV 1 --> G_7+
e( 10 - 10) = 12.25530 eV 1 --> G_8+
e( 11 - 11) = 14.27034 eV 1 --> G_5+
e( 12 - 12) = 14.27184 eV 1 --> G_7+
e( 13 - 14) = 36.86721 eV 2 --> G_6-
e( 13 - 14) = 36.86721 eV 2 --> G_8-
e( 15 - 15) = 36.86734 eV 1 --> G_7-
e( 16 - 16) = 37.16539 eV 1 --> ?
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.02500 )
the magnetic double point group is D_4 (422) [C_4 (4) ]
using the double point group C_4 (4)
there are 8 classes and 4 irreducible representations
the character table:
E -E C4 -C4 C2 -C2 C4^3 -C4^3
G_5 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71
G_6 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71
G_7 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71
G_8 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71
imaginary part
E -E C4 -C4 C2 -C2 C4^3 -C4^3
G_5 0.00 0.00 0.71 -0.71 1.00 -1.00 -0.71 0.71
G_6 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71
G_7 0.00 0.00 -0.71 0.71 1.00 -1.00 0.71 -0.71
G_8 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71
the symmetry operations in each class and the name of the first element:
E 1
-E -1
C4 4
-C4 -4
C2 2
-C2 -2
C4^3 3
-C4^3 -3
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 4.27761 eV 1 --> G_6
e( 2 - 2) = 4.41163 eV 1 --> G_5
e( 3 - 3) = 10.33125 eV 1 --> G_5
e( 4 - 4) = 10.36191 eV 1 --> G_8
e( 5 - 5) = 10.39012 eV 1 --> G_7
e( 6 - 6) = 11.46188 eV 1 --> G_6
e( 7 - 7) = 11.46336 eV 1 --> G_8
e( 8 - 8) = 12.20241 eV 1 --> G_6
e( 9 - 9) = 12.22758 eV 1 --> G_7
e( 10 - 10) = 12.25467 eV 1 --> G_8
e( 11 - 11) = 14.26459 eV 1 --> G_7
e( 12 - 12) = 14.27314 eV 1 --> G_5
e( 13 - 13) = 36.77927 eV 1 --> G_7
e( 14 - 14) = 36.86065 eV 1 --> G_6
e( 15 - 15) = 36.86096 eV 1 --> G_8
e( 16 - 16) = 37.06061 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.05000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 4.31543 eV 1 --> G_6
e( 2 - 2) = 4.44954 eV 1 --> G_5
e( 3 - 3) = 10.33090 eV 1 --> G_5
e( 4 - 4) = 10.37205 eV 1 --> G_8
e( 5 - 5) = 10.38979 eV 1 --> G_7
e( 6 - 6) = 11.44708 eV 1 --> G_8
e( 7 - 7) = 11.46831 eV 1 --> G_6
e( 8 - 8) = 12.20070 eV 1 --> G_6
e( 9 - 9) = 12.23886 eV 1 --> G_7
e( 10 - 10) = 12.25287 eV 1 --> G_8
e( 11 - 11) = 14.24288 eV 1 --> G_7
e( 12 - 12) = 14.28148 eV 1 --> G_5
e( 13 - 13) = 36.53635 eV 1 --> G_7
e( 14 - 14) = 36.77601 eV 1 --> G_8
e( 15 - 15) = 36.83886 eV 1 --> G_6
e( 16 - 16) = 36.84023 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.07500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 4.37824 eV 1 --> G_6
e( 2 - 2) = 4.51253 eV 1 --> G_5
e( 3 - 3) = 10.32992 eV 1 --> G_5
e( 4 - 4) = 10.38871 eV 1 --> G_8
e( 5 - 5) = 10.38885 eV 1 --> G_7
e( 6 - 6) = 11.42001 eV 1 --> G_8
e( 7 - 7) = 11.47862 eV 1 --> G_6
e( 8 - 8) = 12.19753 eV 1 --> G_6
e( 9 - 9) = 12.24954 eV 1 --> G_8
e( 10 - 10) = 12.25743 eV 1 --> G_7
e( 11 - 11) = 14.20677 eV 1 --> G_7
e( 12 - 12) = 14.29488 eV 1 --> G_5
e( 13 - 13) = 36.18523 eV 1 --> G_7
e( 14 - 14) = 36.37357 eV 1 --> G_8
e( 15 - 15) = 36.79551 eV 1 --> G_6
e( 16 - 16) = 36.79900 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.10000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 4.46572 eV 1 --> G_6
e( 2 - 2) = 4.60034 eV 1 --> G_5
e( 3 - 3) = 10.32898 eV 1 --> G_5
e( 4 - 4) = 10.38796 eV 1 --> G_7
e( 5 - 5) = 10.41146 eV 1 --> G_8
e( 6 - 6) = 11.38197 eV 1 --> G_8
e( 7 - 7) = 11.49330 eV 1 --> G_6
e( 8 - 8) = 12.19360 eV 1 --> G_6
e( 9 - 9) = 12.24539 eV 1 --> G_8
e( 10 - 10) = 12.28292 eV 1 --> G_7
e( 11 - 11) = 14.15617 eV 1 --> G_7
e( 12 - 12) = 14.31369 eV 1 --> G_5
e( 13 - 13) = 35.77090 eV 1 --> G_7
e( 14 - 14) = 35.90709 eV 1 --> G_8
e( 15 - 15) = 36.72041 eV 1 --> G_6
e( 16 - 16) = 36.72773 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.12500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 4.57740 eV 1 --> G_6
e( 2 - 2) = 4.71259 eV 1 --> G_5
e( 3 - 3) = 10.32926 eV 1 --> G_5
e( 4 - 4) = 10.38830 eV 1 --> G_7
e( 5 - 5) = 10.44128 eV 1 --> G_8
e( 6 - 6) = 11.33395 eV 1 --> G_8
e( 7 - 7) = 11.51197 eV 1 --> G_6
e( 8 - 8) = 12.19018 eV 1 --> G_6
e( 9 - 9) = 12.24170 eV 1 --> G_8
e( 10 - 10) = 12.31622 eV 1 --> G_7
e( 11 - 11) = 14.09216 eV 1 --> G_7
e( 12 - 12) = 14.33730 eV 1 --> G_5
e( 13 - 13) = 35.32581 eV 1 --> G_7
e( 14 - 14) = 35.41178 eV 1 --> G_8
e( 15 - 15) = 36.60063 eV 1 --> G_6
e( 16 - 16) = 36.61414 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.15000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 4.71264 eV 1 --> G_6
e( 2 - 2) = 4.84878 eV 1 --> G_5
e( 3 - 3) = 10.33046 eV 1 --> G_5
e( 4 - 4) = 10.38960 eV 1 --> G_7
e( 5 - 5) = 10.47730 eV 1 --> G_8
e( 6 - 6) = 11.27586 eV 1 --> G_8
e( 7 - 7) = 11.53445 eV 1 --> G_6
e( 8 - 8) = 12.18709 eV 1 --> G_6
e( 9 - 9) = 12.23830 eV 1 --> G_8
e( 10 - 10) = 12.35656 eV 1 --> G_7
e( 11 - 11) = 14.01470 eV 1 --> G_7
e( 12 - 12) = 14.36525 eV 1 --> G_5
e( 13 - 13) = 34.87082 eV 1 --> G_7
e( 14 - 14) = 34.90863 eV 1 --> G_8
e( 15 - 15) = 36.42303 eV 1 --> G_6
e( 16 - 16) = 36.44563 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.17500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 4.87065 eV 1 --> G_6
e( 2 - 2) = 5.00827 eV 1 --> G_5
e( 3 - 3) = 10.33306 eV 1 --> G_5
e( 4 - 4) = 10.39231 eV 1 --> G_7
e( 5 - 5) = 10.51924 eV 1 --> G_8
e( 6 - 6) = 11.20811 eV 1 --> G_8
e( 7 - 7) = 11.56061 eV 1 --> G_6
e( 8 - 8) = 12.18497 eV 1 --> G_6
e( 9 - 9) = 12.23583 eV 1 --> G_8
e( 10 - 10) = 12.40371 eV 1 --> G_7
e( 11 - 11) = 13.92427 eV 1 --> G_7
e( 12 - 12) = 14.39704 eV 1 --> G_5
e( 13 - 13) = 34.41000 eV 1 --> G_8
e( 14 - 14) = 34.41893 eV 1 --> G_7
e( 15 - 15) = 36.10175 eV 1 --> G_5
e( 16 - 16) = 36.14784 eV 1 --> G_7
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.20000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 5.05040 eV 1 --> G_6
e( 2 - 2) = 5.19030 eV 1 --> G_5
e( 3 - 3) = 10.33792 eV 1 --> G_5
e( 4 - 4) = 10.39731 eV 1 --> G_7
e( 5 - 5) = 10.56664 eV 1 --> G_8
e( 6 - 6) = 11.13142 eV 1 --> G_8
e( 7 - 7) = 11.59045 eV 1 --> G_6
e( 8 - 8) = 12.18477 eV 1 --> G_6
e( 9 - 9) = 12.23525 eV 1 --> G_8
e( 10 - 10) = 12.45739 eV 1 --> G_7
e( 11 - 11) = 13.82162 eV 1 --> G_7
e( 12 - 12) = 14.43222 eV 1 --> G_5
e( 13 - 13) = 33.92331 eV 1 --> G_8
e( 14 - 14) = 33.97820 eV 1 --> G_7
e( 15 - 15) = 35.68689 eV 1 --> G_5
e( 16 - 16) = 35.74868 eV 1 --> G_7
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.22500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 5.25065 eV 1 --> G_6
e( 2 - 2) = 5.39392 eV 1 --> G_5
e( 3 - 3) = 10.34496 eV 1 --> G_5
e( 4 - 4) = 10.40453 eV 1 --> G_7
e( 5 - 5) = 10.61868 eV 1 --> G_8
e( 6 - 6) = 11.04652 eV 1 --> G_8
e( 7 - 7) = 11.62374 eV 1 --> G_6
e( 8 - 8) = 12.18663 eV 1 --> G_6
e( 9 - 9) = 12.23671 eV 1 --> G_8
e( 10 - 10) = 12.51730 eV 1 --> G_7
e( 11 - 11) = 13.70713 eV 1 --> G_7
e( 12 - 12) = 14.46988 eV 1 --> G_5
e( 13 - 13) = 33.45308 eV 1 --> G_8
e( 14 - 14) = 33.55365 eV 1 --> G_7
e( 15 - 15) = 35.21594 eV 1 --> G_5
e( 16 - 16) = 35.29277 eV 1 --> G_7
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.25000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 5.46986 eV 1 --> G_6
e( 2 - 2) = 5.61805 eV 1 --> G_5
e( 3 - 3) = 10.35511 eV 1 --> G_5
e( 4 - 4) = 10.41489 eV 1 --> G_7
e( 5 - 5) = 10.67326 eV 1 --> G_8
e( 6 - 6) = 10.95588 eV 1 --> G_8
e( 7 - 7) = 11.66114 eV 1 --> G_6
e( 8 - 8) = 12.19162 eV 1 --> G_6
e( 9 - 9) = 12.24127 eV 1 --> G_8
e( 10 - 10) = 12.58303 eV 1 --> G_7
e( 11 - 11) = 13.58177 eV 1 --> G_7
e( 12 - 12) = 14.51004 eV 1 --> G_5
e( 13 - 13) = 33.00209 eV 1 --> G_8
e( 14 - 14) = 33.14837 eV 1 --> G_7
e( 15 - 15) = 34.70341 eV 1 --> G_5
e( 16 - 16) = 34.79375 eV 1 --> G_7
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.27500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 5.70613 eV 1 --> G_6
e( 2 - 2) = 5.86136 eV 1 --> G_5
e( 3 - 3) = 10.36899 eV 1 --> G_5
e( 4 - 4) = 10.42901 eV 1 --> G_7
e( 5 - 5) = 10.71981 eV 1 --> G_8
e( 6 - 6) = 10.87029 eV 1 --> G_8
e( 7 - 7) = 11.70299 eV 1 --> G_6
e( 8 - 8) = 12.20054 eV 1 --> G_6
e( 9 - 9) = 12.24971 eV 1 --> G_8
e( 10 - 10) = 12.65407 eV 1 --> G_7
e( 11 - 11) = 13.44652 eV 1 --> G_7
e( 12 - 12) = 14.55207 eV 1 --> G_5
e( 13 - 13) = 32.57201 eV 1 --> G_8
e( 14 - 14) = 32.76422 eV 1 --> G_7
e( 15 - 15) = 34.16190 eV 1 --> G_5
e( 16 - 16) = 34.26393 eV 1 --> G_7
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.30000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 5.95714 eV 1 --> G_6
e( 2 - 2) = 6.12232 eV 1 --> G_5
e( 3 - 3) = 10.38720 eV 1 --> G_5
e( 4 - 4) = 10.44749 eV 1 --> G_7
e( 5 - 5) = 10.69614 eV 1 --> G_8
e( 6 - 6) = 10.85220 eV 1 --> G_8
e( 7 - 7) = 11.75021 eV 1 --> G_6
e( 8 - 8) = 12.21417 eV 1 --> G_6
e( 9 - 9) = 12.26281 eV 1 --> G_8
e( 10 - 10) = 12.72964 eV 1 --> G_7
e( 11 - 11) = 13.30273 eV 1 --> G_7
e( 12 - 12) = 14.59573 eV 1 --> G_5
e( 13 - 13) = 32.16378 eV 1 --> G_8
e( 14 - 14) = 32.40219 eV 1 --> G_7
e( 15 - 15) = 33.60131 eV 1 --> G_5
e( 16 - 16) = 33.71330 eV 1 --> G_7
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.32500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 6.22000 eV 1 --> G_6
e( 2 - 2) = 6.39909 eV 1 --> G_5
e( 3 - 3) = 10.41034 eV 1 --> G_5
e( 4 - 4) = 10.47094 eV 1 --> G_7
e( 5 - 5) = 10.59600 eV 1 --> G_8
e( 6 - 6) = 10.90818 eV 1 --> G_8
e( 7 - 7) = 11.80418 eV 1 --> G_6
e( 8 - 8) = 12.23334 eV 1 --> G_6
e( 9 - 9) = 12.28133 eV 1 --> G_8
e( 10 - 10) = 12.80777 eV 1 --> G_7
e( 11 - 11) = 13.15291 eV 1 --> G_7
e( 12 - 12) = 14.64103 eV 1 --> G_5
e( 13 - 13) = 31.77785 eV 1 --> G_8
e( 14 - 14) = 32.06270 eV 1 --> G_7
e( 15 - 15) = 33.02904 eV 1 --> G_5
e( 16 - 16) = 33.14944 eV 1 --> G_7
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.35000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 6.49121 eV 1 --> G_6
e( 2 - 2) = 6.68951 eV 1 --> G_5
e( 3 - 3) = 10.43866 eV 1 --> G_5
e( 4 - 4) = 10.47712 eV 1 --> G_8
e( 5 - 5) = 10.49962 eV 1 --> G_7
e( 6 - 6) = 10.98039 eV 1 --> G_8
e( 7 - 7) = 11.86790 eV 1 --> G_6
e( 8 - 8) = 12.25868 eV 1 --> G_6
e( 9 - 9) = 12.30577 eV 1 --> G_8
e( 10 - 10) = 12.87431 eV 1 --> G_7
e( 11 - 11) = 13.01142 eV 1 --> G_7
e( 12 - 12) = 14.68930 eV 1 --> G_5
e( 13 - 13) = 31.41431 eV 1 --> G_8
e( 14 - 14) = 31.74569 eV 1 --> G_7
e( 15 - 15) = 32.45053 eV 1 --> G_5
e( 16 - 16) = 32.57809 eV 1 --> G_7
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.37500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 6.76643 eV 1 --> G_6
e( 2 - 2) = 6.99100 eV 1 --> G_5
e( 3 - 3) = 10.35046 eV 1 --> G_8
e( 4 - 4) = 10.47331 eV 1 --> G_5
e( 5 - 5) = 10.53465 eV 1 --> G_7
e( 6 - 6) = 11.05906 eV 1 --> G_8
e( 7 - 7) = 11.94220 eV 1 --> G_6
e( 8 - 8) = 12.29144 eV 1 --> G_6
e( 9 - 9) = 12.33723 eV 1 --> G_8
e( 10 - 10) = 12.79973 eV 1 --> G_7
e( 11 - 11) = 13.00924 eV 1 --> G_7
e( 12 - 12) = 14.73942 eV 1 --> G_5
e( 13 - 13) = 31.07298 eV 1 --> G_8
e( 14 - 14) = 31.45079 eV 1 --> G_7
e( 15 - 15) = 31.86985 eV 1 --> G_5
e( 16 - 16) = 32.00359 eV 1 --> G_7
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.40000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 7.04041 eV 1 --> G_6
e( 2 - 2) = 7.30047 eV 1 --> G_5
e( 3 - 3) = 10.21851 eV 1 --> G_8
e( 4 - 4) = 10.51439 eV 1 --> G_5
e( 5 - 5) = 10.57615 eV 1 --> G_7
e( 6 - 6) = 11.14166 eV 1 --> G_8
e( 7 - 7) = 12.03098 eV 1 --> G_6
e( 8 - 8) = 12.33244 eV 1 --> G_6
e( 9 - 9) = 12.37606 eV 1 --> G_8
e( 10 - 10) = 12.63712 eV 1 --> G_7
e( 11 - 11) = 13.09351 eV 1 --> G_7
e( 12 - 12) = 14.79312 eV 1 --> G_5
e( 13 - 13) = 30.75349 eV 1 --> G_8
e( 14 - 14) = 31.17702 eV 1 --> G_7
e( 15 - 15) = 31.29007 eV 1 --> G_5
e( 16 - 16) = 31.42963 eV 1 --> G_7
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.42500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 7.30711 eV 1 --> G_6
e( 2 - 2) = 7.61435 eV 1 --> G_5
e( 3 - 3) = 10.08265 eV 1 --> G_8
e( 4 - 4) = 10.56244 eV 1 --> G_5
e( 5 - 5) = 10.62462 eV 1 --> G_7
e( 6 - 6) = 11.22718 eV 1 --> G_8
e( 7 - 7) = 12.13917 eV 1 --> G_6
e( 8 - 8) = 12.38370 eV 1 --> G_6
e( 9 - 9) = 12.42294 eV 1 --> G_8
e( 10 - 10) = 12.46423 eV 1 --> G_7
e( 11 - 11) = 13.18716 eV 1 --> G_7
e( 12 - 12) = 14.85392 eV 1 --> G_5
e( 13 - 13) = 30.45530 eV 1 --> G_8
e( 14 - 14) = 30.71360 eV 1 --> G_5
e( 15 - 15) = 30.85174 eV 1 --> G_7
e( 16 - 16) = 30.93068 eV 1 --> G_7
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.45000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 7.55964 eV 1 --> G_6
e( 2 - 2) = 7.92835 eV 1 --> G_5
e( 3 - 3) = 9.94402 eV 1 --> G_8
e( 4 - 4) = 10.61772 eV 1 --> G_5
e( 5 - 5) = 10.68033 eV 1 --> G_7
e( 6 - 6) = 11.31487 eV 1 --> G_8
e( 7 - 7) = 12.26799 eV 1 --> G_6
e( 8 - 8) = 12.28747 eV 1 --> G_7
e( 9 - 9) = 12.44973 eV 1 --> G_6
e( 10 - 10) = 12.47827 eV 1 --> G_8
e( 11 - 11) = 13.28442 eV 1 --> G_7
e( 12 - 12) = 14.92421 eV 1 --> G_5
e( 13 - 13) = 30.14238 eV 1 --> G_5
e( 14 - 14) = 30.17773 eV 1 --> G_8
e( 15 - 15) = 30.28793 eV 1 --> G_7
e( 16 - 16) = 30.69499 eV 1 --> G_7
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.47500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 7.79071 eV 1 --> G_6
e( 2 - 2) = 8.23747 eV 1 --> G_5
e( 3 - 3) = 9.80360 eV 1 --> G_8
e( 4 - 4) = 10.67994 eV 1 --> G_5
e( 5 - 5) = 10.74296 eV 1 --> G_7
e( 6 - 6) = 11.40397 eV 1 --> G_8
e( 7 - 7) = 12.10891 eV 1 --> G_7
e( 8 - 8) = 12.40629 eV 1 --> G_6
e( 9 - 9) = 12.54191 eV 1 --> G_8
e( 10 - 10) = 12.54778 eV 1 --> G_6
e( 11 - 11) = 13.38365 eV 1 --> G_7
e( 12 - 12) = 15.00773 eV 1 --> G_5
e( 13 - 13) = 29.57805 eV 1 --> G_5
e( 14 - 14) = 29.72726 eV 1 --> G_7
e( 15 - 15) = 29.91993 eV 1 --> G_8
e( 16 - 16) = 30.17827 eV 1 --> G_6
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.50000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 7.99367 eV 1 --> G_6
e( 2 - 2) = 8.53617 eV 1 --> G_5
e( 3 - 3) = 9.66243 eV 1 --> G_8
e( 4 - 4) = 10.75037 eV 1 --> G_5
e( 5 - 5) = 10.81372 eV 1 --> G_7
e( 6 - 6) = 11.49415 eV 1 --> G_8
e( 7 - 7) = 11.93011 eV 1 --> G_7
e( 8 - 8) = 12.52156 eV 1 --> G_6
e( 9 - 9) = 12.61518 eV 1 --> G_8
e( 10 - 10) = 12.71845 eV 1 --> G_6
e( 11 - 11) = 13.48432 eV 1 --> G_7
e( 12 - 12) = 15.10993 eV 1 --> G_5
e( 13 - 13) = 29.02207 eV 1 --> G_5
e( 14 - 14) = 29.17427 eV 1 --> G_7
e( 15 - 15) = 29.62375 eV 1 --> G_6
e( 16 - 16) = 29.67880 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.52500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.16308 eV 1 --> G_6
e( 2 - 2) = 8.81831 eV 1 --> G_5
e( 3 - 3) = 9.52143 eV 1 --> G_8
e( 4 - 4) = 10.82851 eV 1 --> G_5
e( 5 - 5) = 10.89203 eV 1 --> G_7
e( 6 - 6) = 11.58470 eV 1 --> G_8
e( 7 - 7) = 11.75240 eV 1 --> G_7
e( 8 - 8) = 12.61812 eV 1 --> G_6
e( 9 - 9) = 12.69772 eV 1 --> G_8
e( 10 - 10) = 12.96192 eV 1 --> G_6
e( 11 - 11) = 13.58553 eV 1 --> G_7
e( 12 - 12) = 15.23632 eV 1 --> G_5
e( 13 - 13) = 28.47574 eV 1 --> G_5
e( 14 - 14) = 28.63052 eV 1 --> G_7
e( 15 - 15) = 29.07578 eV 1 --> G_6
e( 16 - 16) = 29.22468 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.55000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.29581 eV 1 --> G_6
e( 2 - 2) = 9.07765 eV 1 --> G_5
e( 3 - 3) = 9.38153 eV 1 --> G_8
e( 4 - 4) = 10.91429 eV 1 --> G_5
e( 5 - 5) = 10.97761 eV 1 --> G_7
e( 6 - 6) = 11.57719 eV 1 --> G_7
e( 7 - 7) = 11.67503 eV 1 --> G_8
e( 8 - 8) = 12.71515 eV 1 --> G_6
e( 9 - 9) = 12.78957 eV 1 --> G_8
e( 10 - 10) = 13.26211 eV 1 --> G_6
e( 11 - 11) = 13.68660 eV 1 --> G_7
e( 12 - 12) = 15.39310 eV 1 --> G_5
e( 13 - 13) = 27.94035 eV 1 --> G_5
e( 14 - 14) = 28.09738 eV 1 --> G_7
e( 15 - 15) = 28.53585 eV 1 --> G_6
e( 16 - 16) = 28.68792 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.57500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.39108 eV 1 --> G_6
e( 2 - 2) = 9.24366 eV 1 --> G_8
e( 3 - 3) = 9.30816 eV 1 --> G_5
e( 4 - 4) = 11.00742 eV 1 --> G_5
e( 5 - 5) = 11.06927 eV 1 --> G_7
e( 6 - 6) = 11.40644 eV 1 --> G_7
e( 7 - 7) = 11.76456 eV 1 --> G_8
e( 8 - 8) = 12.81830 eV 1 --> G_6
e( 9 - 9) = 12.89053 eV 1 --> G_8
e( 10 - 10) = 13.61352 eV 1 --> G_6
e( 11 - 11) = 13.78685 eV 1 --> G_7
e( 12 - 12) = 15.58596 eV 1 --> G_5
e( 13 - 13) = 27.41713 eV 1 --> G_5
e( 14 - 14) = 27.57613 eV 1 --> G_7
e( 15 - 15) = 28.00536 eV 1 --> G_6
e( 16 - 16) = 28.15967 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.60000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.45140 eV 1 --> G_6
e( 2 - 2) = 9.10869 eV 1 --> G_8
e( 3 - 3) = 9.50545 eV 1 --> G_5
e( 4 - 4) = 11.10776 eV 1 --> G_5
e( 5 - 5) = 11.15552 eV 1 --> G_7
e( 6 - 6) = 11.25261 eV 1 --> G_7
e( 7 - 7) = 11.85271 eV 1 --> G_8
e( 8 - 8) = 12.92931 eV 1 --> G_6
e( 9 - 9) = 13.00060 eV 1 --> G_8
e( 10 - 10) = 13.88564 eV 1 --> G_7
e( 11 - 11) = 14.01332 eV 1 --> G_6
e( 12 - 12) = 15.82088 eV 1 --> G_5
e( 13 - 13) = 26.90737 eV 1 --> G_5
e( 14 - 14) = 27.06811 eV 1 --> G_7
e( 15 - 15) = 27.48569 eV 1 --> G_6
e( 16 - 16) = 27.64188 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.62500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.48024 eV 1 --> G_6
e( 2 - 2) = 8.97747 eV 1 --> G_8
e( 3 - 3) = 9.66646 eV 1 --> G_5
e( 4 - 4) = 11.06373 eV 1 --> G_7
e( 5 - 5) = 11.21469 eV 1 --> G_5
e( 6 - 6) = 11.28869 eV 1 --> G_7
e( 7 - 7) = 11.93891 eV 1 --> G_8
e( 8 - 8) = 13.04828 eV 1 --> G_6
e( 9 - 9) = 13.11925 eV 1 --> G_8
e( 10 - 10) = 13.98232 eV 1 --> G_7
e( 11 - 11) = 14.45725 eV 1 --> G_6
e( 12 - 12) = 16.10100 eV 1 --> G_5
e( 13 - 13) = 26.41240 eV 1 --> G_5
e( 14 - 14) = 26.57466 eV 1 --> G_7
e( 15 - 15) = 26.97824 eV 1 --> G_6
e( 16 - 16) = 27.13604 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.65000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.48233 eV 1 --> G_6
e( 2 - 2) = 8.85081 eV 1 --> G_8
e( 3 - 3) = 9.79047 eV 1 --> G_5
e( 4 - 4) = 10.91069 eV 1 --> G_7
e( 5 - 5) = 11.32753 eV 1 --> G_5
e( 6 - 6) = 11.39815 eV 1 --> G_7
e( 7 - 7) = 12.02261 eV 1 --> G_8
e( 8 - 8) = 13.17491 eV 1 --> G_6
e( 9 - 9) = 13.24589 eV 1 --> G_8
e( 10 - 10) = 14.07624 eV 1 --> G_7
e( 11 - 11) = 14.94073 eV 1 --> G_6
e( 12 - 12) = 16.42772 eV 1 --> G_5
e( 13 - 13) = 25.93363 eV 1 --> G_5
e( 14 - 14) = 26.09724 eV 1 --> G_7
e( 15 - 15) = 26.48449 eV 1 --> G_6
e( 16 - 16) = 26.64369 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.67500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.46268 eV 1 --> G_6
e( 2 - 2) = 8.72948 eV 1 --> G_8
e( 3 - 3) = 9.87901 eV 1 --> G_5
e( 4 - 4) = 10.76213 eV 1 --> G_7
e( 5 - 5) = 11.44537 eV 1 --> G_5
e( 6 - 6) = 11.51524 eV 1 --> G_7
e( 7 - 7) = 12.10325 eV 1 --> G_8
e( 8 - 8) = 13.30855 eV 1 --> G_6
e( 9 - 9) = 13.37972 eV 1 --> G_8
e( 10 - 10) = 14.16680 eV 1 --> G_7
e( 11 - 11) = 15.45898 eV 1 --> G_6
e( 12 - 12) = 16.80015 eV 1 --> G_5
e( 13 - 13) = 25.47260 eV 1 --> G_5
e( 14 - 14) = 25.63740 eV 1 --> G_7
e( 15 - 15) = 26.00601 eV 1 --> G_6
e( 16 - 16) = 26.16642 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.70000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.42668 eV 1 --> G_6
e( 2 - 2) = 8.61421 eV 1 --> G_8
e( 3 - 3) = 9.93583 eV 1 --> G_5
e( 4 - 4) = 10.62096 eV 1 --> G_7
e( 5 - 5) = 11.56714 eV 1 --> G_5
e( 6 - 6) = 11.63680 eV 1 --> G_7
e( 7 - 7) = 12.18030 eV 1 --> G_8
e( 8 - 8) = 13.44828 eV 1 --> G_6
e( 9 - 9) = 13.51972 eV 1 --> G_8
e( 10 - 10) = 14.25338 eV 1 --> G_7
e( 11 - 11) = 16.00747 eV 1 --> G_6
e( 12 - 12) = 17.21570 eV 1 --> G_5
e( 13 - 13) = 25.03100 eV 1 --> G_5
e( 14 - 14) = 25.19682 eV 1 --> G_7
e( 15 - 15) = 25.54453 eV 1 --> G_6
e( 16 - 16) = 25.70601 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.72500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.37794 eV 1 --> G_6
e( 2 - 2) = 8.50566 eV 1 --> G_8
e( 3 - 3) = 9.96481 eV 1 --> G_5
e( 4 - 4) = 10.48826 eV 1 --> G_7
e( 5 - 5) = 11.69145 eV 1 --> G_5
e( 6 - 6) = 11.76111 eV 1 --> G_7
e( 7 - 7) = 12.25325 eV 1 --> G_8
e( 8 - 8) = 13.59275 eV 1 --> G_6
e( 9 - 9) = 13.66447 eV 1 --> G_8
e( 10 - 10) = 14.33542 eV 1 --> G_7
e( 11 - 11) = 16.58114 eV 1 --> G_6
e( 12 - 12) = 17.66910 eV 1 --> G_5
e( 13 - 13) = 24.61066 eV 1 --> G_5
e( 14 - 14) = 24.77738 eV 1 --> G_7
e( 15 - 15) = 25.10198 eV 1 --> G_6
e( 16 - 16) = 25.26440 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.75000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.32105 eV 1 --> G_6
e( 2 - 2) = 8.40501 eV 1 --> G_8
e( 3 - 3) = 9.97155 eV 1 --> G_5
e( 4 - 4) = 10.36534 eV 1 --> G_7
e( 5 - 5) = 11.81721 eV 1 --> G_5
e( 6 - 6) = 11.88693 eV 1 --> G_7
e( 7 - 7) = 12.32173 eV 1 --> G_8
e( 8 - 8) = 13.74083 eV 1 --> G_6
e( 9 - 9) = 13.81281 eV 1 --> G_8
e( 10 - 10) = 14.41247 eV 1 --> G_7
e( 11 - 11) = 17.17561 eV 1 --> G_6
e( 12 - 12) = 18.15508 eV 1 --> G_5
e( 13 - 13) = 24.21365 eV 1 --> G_5
e( 14 - 14) = 24.38111 eV 1 --> G_7
e( 15 - 15) = 24.68057 eV 1 --> G_6
e( 16 - 16) = 24.84381 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.77500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.25952 eV 1 --> G_6
e( 2 - 2) = 8.31172 eV 1 --> G_8
e( 3 - 3) = 9.96123 eV 1 --> G_5
e( 4 - 4) = 10.25183 eV 1 --> G_7
e( 5 - 5) = 11.94176 eV 1 --> G_5
e( 6 - 6) = 12.01155 eV 1 --> G_7
e( 7 - 7) = 12.38506 eV 1 --> G_8
e( 8 - 8) = 13.88967 eV 1 --> G_6
e( 9 - 9) = 13.96184 eV 1 --> G_8
e( 10 - 10) = 14.48376 eV 1 --> G_7
e( 11 - 11) = 17.78609 eV 1 --> G_6
e( 12 - 12) = 18.66703 eV 1 --> G_5
e( 13 - 13) = 23.84221 eV 1 --> G_5
e( 14 - 14) = 24.01025 eV 1 --> G_7
e( 15 - 15) = 24.28277 eV 1 --> G_6
e( 16 - 16) = 24.44672 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.80000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.19645 eV 1 --> G_6
e( 2 - 2) = 8.22686 eV 1 --> G_8
e( 3 - 3) = 9.93877 eV 1 --> G_5
e( 4 - 4) = 10.14881 eV 1 --> G_7
e( 5 - 5) = 12.06340 eV 1 --> G_5
e( 6 - 6) = 12.13325 eV 1 --> G_7
e( 7 - 7) = 12.44234 eV 1 --> G_8
e( 8 - 8) = 14.03725 eV 1 --> G_6
e( 9 - 9) = 14.10954 eV 1 --> G_8
e( 10 - 10) = 14.54842 eV 1 --> G_7
e( 11 - 11) = 18.40720 eV 1 --> G_6
e( 12 - 12) = 19.19744 eV 1 --> G_5
e( 13 - 13) = 23.49886 eV 1 --> G_5
e( 14 - 14) = 23.66725 eV 1 --> G_7
e( 15 - 15) = 23.91144 eV 1 --> G_6
e( 16 - 16) = 24.07595 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.82500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.13482 eV 1 --> G_6
e( 2 - 2) = 8.15090 eV 1 --> G_8
e( 3 - 3) = 9.90892 eV 1 --> G_5
e( 4 - 4) = 10.05679 eV 1 --> G_7
e( 5 - 5) = 12.17991 eV 1 --> G_5
e( 6 - 6) = 12.24978 eV 1 --> G_7
e( 7 - 7) = 12.49435 eV 1 --> G_8
e( 8 - 8) = 14.18084 eV 1 --> G_6
e( 9 - 9) = 14.25315 eV 1 --> G_8
e( 10 - 10) = 14.60704 eV 1 --> G_7
e( 11 - 11) = 19.03249 eV 1 --> G_6
e( 12 - 12) = 19.73764 eV 1 --> G_5
e( 13 - 13) = 23.18632 eV 1 --> G_5
e( 14 - 14) = 23.35478 eV 1 --> G_7
e( 15 - 15) = 23.56986 eV 1 --> G_6
e( 16 - 16) = 23.73476 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.85000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.07730 eV 1 --> G_6
e( 2 - 2) = 8.08429 eV 1 --> G_8
e( 3 - 3) = 9.87581 eV 1 --> G_5
e( 4 - 4) = 9.97626 eV 1 --> G_7
e( 5 - 5) = 12.28921 eV 1 --> G_5
e( 6 - 6) = 12.35907 eV 1 --> G_7
e( 7 - 7) = 12.54019 eV 1 --> G_8
e( 8 - 8) = 14.31763 eV 1 --> G_6
e( 9 - 9) = 14.38987 eV 1 --> G_8
e( 10 - 10) = 14.65875 eV 1 --> G_7
e( 11 - 11) = 19.65359 eV 1 --> G_6
e( 12 - 12) = 20.27705 eV 1 --> G_5
e( 13 - 13) = 22.90762 eV 1 --> G_5
e( 14 - 14) = 23.07564 eV 1 --> G_7
e( 15 - 15) = 23.26172 eV 1 --> G_6
e( 16 - 16) = 23.42672 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.87500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 8.02503 eV 1 --> G_6
e( 2 - 2) = 8.02730 eV 1 --> G_8
e( 3 - 3) = 9.84216 eV 1 --> G_5
e( 4 - 4) = 9.90745 eV 1 --> G_7
e( 5 - 5) = 12.38762 eV 1 --> G_5
e( 6 - 6) = 12.45742 eV 1 --> G_7
e( 7 - 7) = 12.57949 eV 1 --> G_8
e( 8 - 8) = 14.44291 eV 1 --> G_6
e( 9 - 9) = 14.51499 eV 1 --> G_8
e( 10 - 10) = 14.70309 eV 1 --> G_7
e( 11 - 11) = 20.25871 eV 1 --> G_6
e( 12 - 12) = 20.80163 eV 1 --> G_5
e( 13 - 13) = 22.66614 eV 1 --> G_5
e( 14 - 14) = 22.83274 eV 1 --> G_7
e( 15 - 15) = 22.99117 eV 1 --> G_6
e( 16 - 16) = 23.15576 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.90000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 7.97981 eV 1 --> G_8
e( 2 - 2) = 7.97993 eV 1 --> G_6
e( 3 - 3) = 9.81091 eV 1 --> G_5
e( 4 - 4) = 9.85037 eV 1 --> G_7
e( 5 - 5) = 12.47268 eV 1 --> G_5
e( 6 - 6) = 12.54239 eV 1 --> G_7
e( 7 - 7) = 12.61160 eV 1 --> G_8
e( 8 - 8) = 14.55293 eV 1 --> G_6
e( 9 - 9) = 14.62479 eV 1 --> G_8
e( 10 - 10) = 14.73935 eV 1 --> G_7
e( 11 - 11) = 20.83081 eV 1 --> G_6
e( 12 - 12) = 21.29252 eV 1 --> G_5
e( 13 - 13) = 22.46612 eV 1 --> G_5
e( 14 - 14) = 22.62896 eV 1 --> G_7
e( 15 - 15) = 22.76287 eV 1 --> G_6
e( 16 - 16) = 22.92602 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.92500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 7.94297 eV 1 --> G_8
e( 2 - 2) = 7.94360 eV 1 --> G_6
e( 3 - 3) = 9.78448 eV 1 --> G_5
e( 4 - 4) = 9.80600 eV 1 --> G_7
e( 5 - 5) = 12.54230 eV 1 --> G_5
e( 6 - 6) = 12.61191 eV 1 --> G_7
e( 7 - 7) = 12.63712 eV 1 --> G_8
e( 8 - 8) = 14.64422 eV 1 --> G_6
e( 9 - 9) = 14.71584 eV 1 --> G_8
e( 10 - 10) = 14.76817 eV 1 --> G_7
e( 11 - 11) = 21.34412 eV 1 --> G_6
e( 12 - 12) = 21.72058 eV 1 --> G_5
e( 13 - 13) = 22.31584 eV 1 --> G_5
e( 14 - 14) = 22.46707 eV 1 --> G_7
e( 15 - 15) = 22.58228 eV 1 --> G_6
e( 16 - 16) = 22.74175 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.95000 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 7.91632 eV 1 --> G_8
e( 2 - 2) = 7.91686 eV 1 --> G_6
e( 3 - 3) = 9.76435 eV 1 --> G_5
e( 4 - 4) = 9.77397 eV 1 --> G_7
e( 5 - 5) = 12.59329 eV 1 --> G_5
e( 6 - 6) = 12.65541 eV 1 --> G_8
e( 7 - 7) = 12.66280 eV 1 --> G_7
e( 8 - 8) = 14.71212 eV 1 --> G_6
e( 9 - 9) = 14.78352 eV 1 --> G_8
e( 10 - 10) = 14.78882 eV 1 --> G_7
e( 11 - 11) = 21.75952 eV 1 --> G_6
e( 12 - 12) = 22.01368 eV 1 --> G_5
e( 13 - 13) = 22.25924 eV 1 --> G_5
e( 14 - 14) = 22.34948 eV 1 --> G_7
e( 15 - 15) = 22.45677 eV 1 --> G_6
e( 16 - 16) = 22.60679 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 0.97500 )
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 7.90026 eV 1 --> G_6
e( 2 - 2) = 7.90039 eV 1 --> G_8
e( 3 - 3) = 9.75160 eV 1 --> G_5
e( 4 - 4) = 9.75481 eV 1 --> G_7
e( 5 - 5) = 12.62484 eV 1 --> G_5
e( 6 - 6) = 12.66645 eV 1 --> G_8
e( 7 - 7) = 12.69429 eV 1 --> G_7
e( 8 - 8) = 14.75439 eV 1 --> G_6
e( 9 - 9) = 14.80127 eV 1 --> G_7
e( 10 - 10) = 14.82562 eV 1 --> G_8
e( 11 - 11) = 22.02263 eV 1 --> G_6
e( 12 - 12) = 22.05330 eV 1 --> G_5
e( 13 - 13) = 22.27810 eV 1 --> G_7
e( 14 - 14) = 22.38167 eV 1 --> G_5
e( 15 - 15) = 22.39757 eV 1 --> G_6
e( 16 - 16) = 22.52440 eV 1 --> G_8
**************************************************************************
**************************************************************************
xk=( 0.00000, 0.00000, 1.00000 )
the magnetic double point group is D_4h(4/mmm) [C_4h (4/m) ]
using the double point group C_4h (4/m)
there are 16 classes and 8 irreducible representations
the character table:
E -E C4 -C4 C2 -C2 C4^3 -C4^3 i -i S4^3 -S4^3
G_5+ 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 1.00 -1.00 0.71 -0.71
G_6+ 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 1.00 -1.00 0.71 -0.71
G_7+ 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 1.00 -1.00 -0.71 0.71
G_8+ 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 1.00 -1.00 -0.71 0.71
G_5- 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71
G_6- 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71
G_7- 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71
G_8- 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71
s_h -s_h S4 -S4
G_5+ 0.00 0.00 0.71 -0.71
G_6+ 0.00 0.00 0.71 -0.71
G_7+ 0.00 0.00 -0.71 0.71
G_8+ 0.00 0.00 -0.71 0.71
G_5- 0.00 0.00 -0.71 0.71
G_6- 0.00 0.00 -0.71 0.71
G_7- 0.00 0.00 0.71 -0.71
G_8- 0.00 0.00 0.71 -0.71
imaginary part
E -E C4 -C4 C2 -C2 C4^3 -C4^3 i -i S4^3 -S4^3
G_5+ 0.00 0.00 0.71 -0.71 1.00 -1.00 -0.71 0.71 0.00 0.00 0.71 -0.71
G_6+ 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 0.00 0.00 -0.71 0.71
G_7+ 0.00 0.00 -0.71 0.71 1.00 -1.00 0.71 -0.71 0.00 0.00 -0.71 0.71
G_8+ 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 0.00 0.00 0.71 -0.71
G_5- 0.00 0.00 0.71 -0.71 1.00 -1.00 -0.71 0.71 0.00 0.00 -0.71 0.71
G_6- 0.00 0.00 -0.71 0.71 -1.00 1.00 0.71 -0.71 0.00 0.00 0.71 -0.71
G_7- 0.00 0.00 -0.71 0.71 1.00 -1.00 0.71 -0.71 0.00 0.00 0.71 -0.71
G_8- 0.00 0.00 0.71 -0.71 -1.00 1.00 -0.71 0.71 0.00 0.00 -0.71 0.71
s_h -s_h S4 -S4
G_5+ 1.00 -1.00 -0.71 0.71
G_6+ -1.00 1.00 0.71 -0.71
G_7+ 1.00 -1.00 0.71 -0.71
G_8+ -1.00 1.00 -0.71 0.71
G_5- -1.00 1.00 0.71 -0.71
G_6- 1.00 -1.00 -0.71 0.71
G_7- -1.00 1.00 -0.71 0.71
G_8- 1.00 -1.00 0.71 -0.71
the symmetry operations in each class and the name of the first element:
E 1
-E -1
C4 4
-C4 -4
C2 2
-C2 -2
C4^3 3
-C4^3 -3
i 5
-i -5
S4^3 8
-S4^3 -8
s_h 6
-s_h -6
S4 7
-S4 -7
Band symmetry, D_4h(4/mmm) [C_4h (4/m) ] magnetic double point group,
using C_4h (4/m)
e( 1 - 1) = 7.89478 eV 1 --> G_6+
e( 2 - 2) = 7.89507 eV 1 --> G_8+
e( 3 - 3) = 9.74736 eV 1 --> G_5+
e( 4 - 4) = 9.74842 eV 1 --> G_7+
e( 5 - 5) = 12.63556 eV 1 --> G_5+
e( 6 - 6) = 12.67014 eV 1 --> G_8+
e( 7 - 7) = 12.70498 eV 1 --> G_7+
e( 8 - 8) = 14.76880 eV 1 --> G_6+
e( 9 - 9) = 14.80545 eV 1 --> G_7+
e( 10 - 10) = 14.83998 eV 1 --> G_8+
e( 11 - 11) = 22.04158 eV 1 --> G_5-
e( 12 - 12) = 22.10249 eV 1 --> G_6-
e( 13 - 13) = 22.25417 eV 1 --> G_7-
e( 14 - 14) = 22.39215 eV 1 --> G_6-
e( 15 - 15) = 22.45149 eV 1 --> G_5-
e( 16 - 16) = 22.49669 eV 1 --> G_8-
**************************************************************************
BANDS : 23.59s CPU 23.93s WALL
This run was terminated on: 9:42: 9 8Feb2017
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JOB DONE.
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