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Program BANDS v.4.2 starts on 23May2010 at 11: 7:12
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please acknowledge
"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/wiki/index.php/Citing_Quantum-ESPRESSO
Parallel version (MPI), running on 1 processors
file Fe.rel-pbe-paw_kj.UPF: wavefunction(s) 3D renormalized
Planes per process (thick) : nr3 = 27 npp = 27 ncplane = 729
Planes per process (smooth): nr3s= 24 npps= 24 ncplanes= 576
Proc/ planes cols G planes cols G columns G
Pool (dense grid) (smooth grid) (wavefct grid)
1 27 487 6963 24 291 3151 99 675
0.000000 0.000000 1.000000
**************************************************************************
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 C4^2 -C4^2 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 C4^2 -C4^2 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:
E 1
C4^2 2
C4^3 3
C4 4
i 5
s_h 6
S4 7
S4^3 8
-E -1
-C4^2 -2
-C4^3 -3
-C4 -4
-i -5
-s_h -6
-S4 -7
-S4^3 -8
Band symmetry, D_4h(4/mmm) [C_4h (4/m) ] magnetic double point group,
using C_4h (4/m)
e( 1 - 1) = 7.90757 eV 1 --> G_5+
e( 2 - 2) = 7.90792 eV 1 --> G_7+
e( 3 - 3) = 9.74298 eV 1 --> G_6+
e( 4 - 4) = 9.74377 eV 1 --> G_8+
e( 5 - 5) = 12.61899 eV 1 --> G_6+
e( 6 - 6) = 12.65352 eV 1 --> G_7+
e( 7 - 7) = 12.68845 eV 1 --> G_8+
e( 8 - 8) = 14.81611 eV 1 --> G_5+
e( 9 - 9) = 14.85265 eV 1 --> G_8+
e( 10 - 10) = 14.88722 eV 1 --> G_7+
e( 11 - 11) = 22.04401 eV 1 --> G_6-
e( 12 - 12) = 22.10528 eV 1 --> G_5-
e( 13 - 13) = 22.25691 eV 1 --> G_8-
e( 14 - 14) = 22.39403 eV 1 --> G_5-
e( 15 - 15) = 22.45368 eV 1 --> G_6-
e( 16 - 16) = 22.49861 eV 1 --> G_7-
**************************************************************************
**************************************************************************
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:
E 1
s 2
-E -1
-s -2
Band symmetry, C_2v (mm2) [C_s (m) ] magnetic double point group,
using C_s (m)
e( 1 - 1) = 7.91292 eV 1 --> G_3
e( 2 - 2) = 7.91337 eV 1 --> G_3
e( 3 - 3) = 9.74775 eV 1 --> G_4
e( 4 - 4) = 9.74963 eV 1 --> G_4
e( 5 - 5) = 12.61167 eV 1 --> G_4
e( 6 - 6) = 12.64283 eV 1 --> G_3
e( 7 - 7) = 12.68140 eV 1 --> G_4
e( 8 - 8) = 14.80645 eV 1 --> G_3
e( 9 - 9) = 14.83816 eV 1 --> G_4
e( 10 - 10) = 14.87820 eV 1 --> G_3
e( 11 - 11) = 21.99559 eV 1 --> G_3
e( 12 - 12) = 22.11448 eV 1 --> G_4
e( 13 - 13) = 22.23198 eV 1 --> G_3
e( 14 - 14) = 22.36101 eV 1 --> G_4
e( 15 - 15) = 22.47675 eV 1 --> G_3
e( 16 - 16) = 22.49210 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 7.92890 eV 1 --> G_3
e( 2 - 2) = 7.92992 eV 1 --> G_3
e( 3 - 3) = 9.76056 eV 1 --> G_4
e( 4 - 4) = 9.76874 eV 1 --> G_4
e( 5 - 5) = 12.58810 eV 1 --> G_4
e( 6 - 6) = 12.61138 eV 1 --> G_3
e( 7 - 7) = 12.66249 eV 1 --> G_4
e( 8 - 8) = 14.77415 eV 1 --> G_3
e( 9 - 9) = 14.79565 eV 1 --> G_4
e( 10 - 10) = 14.85553 eV 1 --> G_3
e( 11 - 11) = 21.75692 eV 1 --> G_3
e( 12 - 12) = 22.04067 eV 1 --> G_4
e( 13 - 13) = 22.26122 eV 1 --> G_3
e( 14 - 14) = 22.29055 eV 1 --> G_4
e( 15 - 15) = 22.55428 eV 1 --> G_3
e( 16 - 16) = 22.55686 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 7.95557 eV 1 --> G_3
e( 2 - 2) = 7.95665 eV 1 --> G_3
e( 3 - 3) = 9.78070 eV 1 --> G_4
e( 4 - 4) = 9.80078 eV 1 --> G_4
e( 5 - 5) = 12.54511 eV 1 --> G_4
e( 6 - 6) = 12.56054 eV 1 --> G_3
e( 7 - 7) = 12.63639 eV 1 --> G_4
e( 8 - 8) = 14.71410 eV 1 --> G_3
e( 9 - 9) = 14.72738 eV 1 --> G_4
e( 10 - 10) = 14.82659 eV 1 --> G_3
e( 11 - 11) = 21.34638 eV 1 --> G_3
e( 12 - 12) = 21.72605 eV 1 --> G_4
e( 13 - 13) = 22.36801 eV 1 --> G_3
e( 14 - 14) = 22.37353 eV 1 --> G_4
e( 15 - 15) = 22.68658 eV 1 --> G_3
e( 16 - 16) = 22.68720 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 7.99242 eV 1 --> G_3
e( 2 - 2) = 7.99297 eV 1 --> G_3
e( 3 - 3) = 9.80715 eV 1 --> G_4
e( 4 - 4) = 9.84516 eV 1 --> G_4
e( 5 - 5) = 12.48109 eV 1 --> G_4
e( 6 - 6) = 12.49111 eV 1 --> G_3
e( 7 - 7) = 12.60549 eV 1 --> G_4
e( 8 - 8) = 14.62697 eV 1 --> G_3
e( 9 - 9) = 14.63558 eV 1 --> G_4
e( 10 - 10) = 14.79304 eV 1 --> G_3
e( 11 - 11) = 20.83456 eV 1 --> G_3
e( 12 - 12) = 21.29508 eV 1 --> G_4
e( 13 - 13) = 22.52731 eV 1 --> G_3
e( 14 - 14) = 22.52928 eV 1 --> G_4
e( 15 - 15) = 22.86917 eV 1 --> G_3
e( 16 - 16) = 22.86932 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 8.03797 eV 1 --> G_3
e( 2 - 2) = 8.03999 eV 1 --> G_3
e( 3 - 3) = 9.83841 eV 1 --> G_4
e( 4 - 4) = 9.90226 eV 1 --> G_4
e( 5 - 5) = 12.39944 eV 1 --> G_4
e( 6 - 6) = 12.40626 eV 1 --> G_3
e( 7 - 7) = 12.57024 eV 1 --> G_4
e( 8 - 8) = 14.51884 eV 1 --> G_3
e( 9 - 9) = 14.52495 eV 1 --> G_4
e( 10 - 10) = 14.75421 eV 1 --> G_3
e( 11 - 11) = 20.26323 eV 1 --> G_3
e( 12 - 12) = 20.80339 eV 1 --> G_4
e( 13 - 13) = 22.73097 eV 1 --> G_3
e( 14 - 14) = 22.73193 eV 1 --> G_4
e( 15 - 16) = 23.09772 eV 2 --> G_3
e( 15 - 16) = 23.09772 eV 2 --> G_4
**************************************************************************
**************************************************************************
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) = 8.09020 eV 1 --> G_3
e( 2 - 2) = 8.09703 eV 1 --> G_3
e( 3 - 3) = 9.87207 eV 1 --> G_4
e( 4 - 4) = 9.97109 eV 1 --> G_4
e( 5 - 5) = 12.30314 eV 1 --> G_4
e( 6 - 6) = 12.30805 eV 1 --> G_3
e( 7 - 7) = 12.52912 eV 1 --> G_4
e( 8 - 8) = 14.39431 eV 1 --> G_3
e( 9 - 9) = 14.39901 eV 1 --> G_4
e( 10 - 10) = 14.70835 eV 1 --> G_3
e( 11 - 11) = 19.65866 eV 1 --> G_3
e( 12 - 12) = 20.27846 eV 1 --> G_4
e( 13 - 13) = 22.97462 eV 1 --> G_3
e( 14 - 14) = 22.97517 eV 1 --> G_4
e( 15 - 16) = 23.36783 eV 2 --> G_3
e( 15 - 16) = 23.36783 eV 2 --> G_4
**************************************************************************
**************************************************************************
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) = 8.14765 eV 1 --> G_3
e( 2 - 2) = 8.16368 eV 1 --> G_3
e( 3 - 3) = 9.90518 eV 1 --> G_4
e( 4 - 4) = 10.05165 eV 1 --> G_4
e( 5 - 5) = 12.19522 eV 1 --> G_4
e( 6 - 6) = 12.19893 eV 1 --> G_3
e( 7 - 7) = 12.48217 eV 1 --> G_4
e( 8 - 8) = 14.25767 eV 1 --> G_3
e( 9 - 9) = 14.26151 eV 1 --> G_4
e( 10 - 10) = 14.65564 eV 1 --> G_3
e( 11 - 11) = 19.03800 eV 1 --> G_3
e( 12 - 12) = 19.73888 eV 1 --> G_4
e( 13 - 13) = 23.25480 eV 1 --> G_3
e( 14 - 14) = 23.25515 eV 1 --> G_4
e( 15 - 16) = 23.67536 eV 2 --> G_3
e( 15 - 16) = 23.67536 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) = 8.20919 eV 1 --> G_3
e( 2 - 2) = 8.23970 eV 1 --> G_3
e( 3 - 3) = 9.93503 eV 1 --> G_4
e( 4 - 4) = 10.14369 eV 1 --> G_4
e( 5 - 5) = 12.07967 eV 1 --> G_4
e( 6 - 6) = 12.08259 eV 1 --> G_3
e( 7 - 7) = 12.42950 eV 1 --> G_4
e( 8 - 8) = 14.11390 eV 1 --> G_3
e( 9 - 9) = 14.11719 eV 1 --> G_4
e( 10 - 10) = 14.59630 eV 1 --> G_3
e( 11 - 11) = 18.41310 eV 1 --> G_3
e( 12 - 12) = 19.19861 eV 1 --> G_4
e( 13 - 13) = 23.56837 eV 1 --> G_3
e( 14 - 14) = 23.56861 eV 1 --> G_4
e( 15 - 16) = 24.01629 eV 2 --> G_3
e( 15 - 16) = 24.01629 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) = 8.27214 eV 1 --> G_3
e( 2 - 2) = 8.32463 eV 1 --> G_3
e( 3 - 3) = 9.95747 eV 1 --> G_4
e( 4 - 4) = 10.24673 eV 1 --> G_4
e( 5 - 5) = 11.95872 eV 1 --> G_4
e( 6 - 6) = 11.96108 eV 1 --> G_3
e( 7 - 7) = 12.37181 eV 1 --> G_4
e( 8 - 8) = 13.96595 eV 1 --> G_3
e( 9 - 9) = 13.96887 eV 1 --> G_4
e( 10 - 10) = 14.53110 eV 1 --> G_3
e( 11 - 11) = 17.79236 eV 1 --> G_3
e( 12 - 12) = 18.66818 eV 1 --> G_4
e( 13 - 13) = 23.91246 eV 1 --> G_3
e( 14 - 14) = 23.91262 eV 1 --> G_4
e( 15 - 16) = 24.38700 eV 2 --> G_3
e( 15 - 16) = 24.38700 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) = 8.33352 eV 1 --> G_3
e( 2 - 2) = 8.41800 eV 1 --> G_3
e( 3 - 3) = 9.96775 eV 1 --> G_4
e( 4 - 4) = 10.36026 eV 1 --> G_4
e( 5 - 5) = 11.83469 eV 1 --> G_4
e( 6 - 6) = 11.83664 eV 1 --> G_3
e( 7 - 7) = 12.30828 eV 1 --> G_4
e( 8 - 8) = 13.81665 eV 1 --> G_3
e( 9 - 9) = 13.81933 eV 1 --> G_4
e( 10 - 10) = 14.45934 eV 1 --> G_3
e( 11 - 11) = 17.18224 eV 1 --> G_3
e( 12 - 12) = 18.15626 eV 1 --> G_4
e( 13 - 13) = 24.28436 eV 1 --> G_3
e( 14 - 14) = 24.28449 eV 1 --> G_4
e( 15 - 16) = 24.78420 eV 2 --> G_3
e( 15 - 16) = 24.78420 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) = 8.39021 eV 1 --> G_3
e( 2 - 2) = 8.51873 eV 1 --> G_3
e( 3 - 3) = 9.96096 eV 1 --> G_4
e( 4 - 4) = 10.48319 eV 1 --> G_4
e( 5 - 5) = 11.70935 eV 1 --> G_4
e( 6 - 6) = 11.71096 eV 1 --> G_3
e( 7 - 7) = 12.23974 eV 1 --> G_4
e( 8 - 8) = 13.66806 eV 1 --> G_3
e( 9 - 9) = 13.67058 eV 1 --> G_4
e( 10 - 10) = 14.38188 eV 1 --> G_3
e( 11 - 11) = 16.58813 eV 1 --> G_3
e( 12 - 12) = 17.67036 eV 1 --> G_4
e( 13 - 14) = 24.68165 eV 2 --> G_3
e( 13 - 14) = 24.68165 eV 2 --> G_4
e( 15 - 16) = 25.20503 eV 2 --> G_3
e( 15 - 16) = 25.20503 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) = 8.43871 eV 1 --> G_3
e( 2 - 2) = 8.62738 eV 1 --> G_3
e( 3 - 3) = 9.93190 eV 1 --> G_4
e( 4 - 4) = 10.61589 eV 1 --> G_4
e( 5 - 5) = 11.58541 eV 1 --> G_4
e( 6 - 6) = 11.58670 eV 1 --> G_3
e( 7 - 7) = 12.16686 eV 1 --> G_4
e( 8 - 8) = 13.52307 eV 1 --> G_3
e( 9 - 9) = 13.52553 eV 1 --> G_4
e( 10 - 10) = 14.29947 eV 1 --> G_3
e( 11 - 11) = 16.01484 eV 1 --> G_3
e( 12 - 12) = 17.21705 eV 1 --> G_4
e( 13 - 14) = 25.10208 eV 2 --> G_3
e( 13 - 14) = 25.10208 eV 2 --> G_4
e( 15 - 16) = 25.64697 eV 2 --> G_3
e( 15 - 16) = 25.64697 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) = 8.47441 eV 1 --> G_3
e( 2 - 2) = 8.74276 eV 1 --> G_3
e( 3 - 3) = 9.87499 eV 1 --> G_4
e( 4 - 4) = 10.75706 eV 1 --> G_4
e( 5 - 5) = 11.46408 eV 1 --> G_4
e( 6 - 6) = 11.46497 eV 1 --> G_3
e( 7 - 7) = 12.09002 eV 1 --> G_4
e( 8 - 8) = 13.38286 eV 1 --> G_3
e( 9 - 9) = 13.38533 eV 1 --> G_4
e( 10 - 10) = 14.21253 eV 1 --> G_3
e( 11 - 11) = 15.46674 eV 1 --> G_3
e( 12 - 12) = 16.80162 eV 1 --> G_4
e( 13 - 14) = 25.54364 eV 2 --> G_3
e( 13 - 14) = 25.54364 eV 2 --> G_4
e( 15 - 16) = 26.10781 eV 2 --> G_3
e( 15 - 16) = 26.10781 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) = 8.49368 eV 1 --> G_3
e( 2 - 2) = 8.86420 eV 1 --> G_3
e( 3 - 3) = 9.78633 eV 1 --> G_4
e( 4 - 4) = 10.90566 eV 1 --> G_4
e( 5 - 5) = 11.34700 eV 1 --> G_4
e( 6 - 6) = 11.34713 eV 1 --> G_3
e( 7 - 7) = 12.00978 eV 1 --> G_4
e( 8 - 8) = 13.24882 eV 1 --> G_3
e( 9 - 9) = 13.25139 eV 1 --> G_4
e( 10 - 10) = 14.12162 eV 1 --> G_3
e( 11 - 11) = 14.94889 eV 1 --> G_3
e( 12 - 12) = 16.42931 eV 1 --> G_4
e( 13 - 14) = 26.00448 eV 2 --> G_3
e( 13 - 14) = 26.00448 eV 2 --> G_4
e( 15 - 16) = 26.58558 eV 2 --> G_3
e( 15 - 16) = 26.58558 eV 2 --> G_4
**************************************************************************
**************************************************************************
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) = 8.49115 eV 1 --> G_3
e( 2 - 2) = 8.99098 eV 1 --> G_3
e( 3 - 3) = 9.66221 eV 1 --> G_4
e( 4 - 4) = 11.05896 eV 1 --> G_4
e( 5 - 5) = 11.23425 eV 1 --> G_3
e( 6 - 6) = 11.23700 eV 1 --> G_4
e( 7 - 7) = 11.92682 eV 1 --> G_4
e( 8 - 8) = 13.12190 eV 1 --> G_3
e( 9 - 9) = 13.12473 eV 1 --> G_4
e( 10 - 10) = 14.02734 eV 1 --> G_3
e( 11 - 11) = 14.46580 eV 1 --> G_3
e( 12 - 12) = 16.10272 eV 1 --> G_4
e( 13 - 14) = 26.48295 eV 2 --> G_3
e( 13 - 14) = 26.48295 eV 2 --> G_4
e( 15 - 16) = 27.07852 eV 2 --> G_3
e( 15 - 16) = 27.07852 eV 2 --> G_4
**************************************************************************
**************************************************************************
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) = 8.46179 eV 1 --> G_3
e( 2 - 2) = 9.12234 eV 1 --> G_3
e( 3 - 3) = 9.50111 eV 1 --> G_4
e( 4 - 4) = 11.11778 eV 1 --> G_4
e( 5 - 5) = 11.12720 eV 1 --> G_3
e( 6 - 6) = 11.23291 eV 1 --> G_4
e( 7 - 7) = 11.84204 eV 1 --> G_4
e( 8 - 8) = 13.00282 eV 1 --> G_3
e( 9 - 9) = 13.00615 eV 1 --> G_4
e( 10 - 10) = 13.93030 eV 1 --> G_3
e( 11 - 11) = 14.02221 eV 1 --> G_3
e( 12 - 12) = 15.82270 eV 1 --> G_4
e( 13 - 14) = 26.97749 eV 2 --> G_3
e( 13 - 14) = 26.97749 eV 2 --> G_4
e( 15 - 16) = 27.58502 eV 2 --> G_3
e( 15 - 16) = 27.58502 eV 2 --> G_4
**************************************************************************
**************************************************************************
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) = 8.40088 eV 1 --> G_3
e( 2 - 2) = 9.25745 eV 1 --> G_3
e( 3 - 3) = 9.30373 eV 1 --> G_4
e( 4 - 4) = 11.02266 eV 1 --> G_4
e( 5 - 5) = 11.02666 eV 1 --> G_3
e( 6 - 6) = 11.39245 eV 1 --> G_4
e( 7 - 7) = 11.75751 eV 1 --> G_4
e( 8 - 8) = 12.89201 eV 1 --> G_3
e( 9 - 9) = 12.89625 eV 1 --> G_4
e( 10 - 10) = 13.62254 eV 1 --> G_3
e( 11 - 11) = 13.83115 eV 1 --> G_3
e( 12 - 12) = 15.58785 eV 1 --> G_4
e( 13 - 14) = 27.48670 eV 2 --> G_3
e( 13 - 14) = 27.48670 eV 2 --> G_4
e( 15 - 15) = 28.10358 eV 1 --> G_3
e( 16 - 16) = 28.10369 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 8.30497 eV 1 --> G_3
e( 2 - 2) = 9.07317 eV 1 --> G_4
e( 3 - 3) = 9.39549 eV 1 --> G_3
e( 4 - 4) = 10.93027 eV 1 --> G_4
e( 5 - 5) = 10.93328 eV 1 --> G_3
e( 6 - 6) = 11.54536 eV 1 --> G_4
e( 7 - 7) = 11.68700 eV 1 --> G_4
e( 8 - 8) = 12.78954 eV 1 --> G_3
e( 9 - 9) = 12.79555 eV 1 --> G_4
e( 10 - 10) = 13.27090 eV 1 --> G_3
e( 11 - 11) = 13.73050 eV 1 --> G_3
e( 12 - 12) = 15.39504 eV 1 --> G_4
e( 13 - 13) = 28.00922 eV 1 --> G_3
e( 14 - 14) = 28.00934 eV 1 --> G_4
e( 15 - 15) = 28.63275 eV 1 --> G_3
e( 16 - 16) = 28.63296 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 8.17157 eV 1 --> G_3
e( 2 - 2) = 8.81381 eV 1 --> G_4
e( 3 - 3) = 9.53556 eV 1 --> G_3
e( 4 - 4) = 10.84463 eV 1 --> G_4
e( 5 - 5) = 10.84720 eV 1 --> G_3
e( 6 - 6) = 11.55230 eV 1 --> G_4
e( 7 - 7) = 11.76542 eV 1 --> G_4
e( 8 - 8) = 12.69395 eV 1 --> G_3
e( 9 - 9) = 12.70407 eV 1 --> G_4
e( 10 - 10) = 12.96976 eV 1 --> G_3
e( 11 - 11) = 13.62900 eV 1 --> G_3
e( 12 - 12) = 15.23828 eV 1 --> G_4
e( 13 - 13) = 28.54378 eV 1 --> G_3
e( 14 - 14) = 28.54393 eV 1 --> G_4
e( 15 - 15) = 29.17092 eV 1 --> G_3
e( 16 - 16) = 29.17145 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 8.00151 eV 1 --> G_3
e( 2 - 2) = 8.53165 eV 1 --> G_4
e( 3 - 3) = 9.67674 eV 1 --> G_3
e( 4 - 4) = 10.76643 eV 1 --> G_4
e( 5 - 5) = 10.76876 eV 1 --> G_3
e( 6 - 6) = 11.47079 eV 1 --> G_4
e( 7 - 7) = 11.93432 eV 1 --> G_4
e( 8 - 8) = 12.59779 eV 1 --> G_3
e( 9 - 9) = 12.62205 eV 1 --> G_4
e( 10 - 10) = 12.72642 eV 1 --> G_3
e( 11 - 11) = 13.52729 eV 1 --> G_3
e( 12 - 12) = 15.11187 eV 1 --> G_4
e( 13 - 13) = 29.08909 eV 1 --> G_3
e( 14 - 14) = 29.08931 eV 1 --> G_4
e( 15 - 15) = 29.68701 eV 1 --> G_3
e( 16 - 16) = 29.71767 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 7.79795 eV 1 --> G_3
e( 2 - 2) = 8.23296 eV 1 --> G_4
e( 3 - 3) = 9.81811 eV 1 --> G_3
e( 4 - 4) = 10.69584 eV 1 --> G_4
e( 5 - 5) = 10.69808 eV 1 --> G_3
e( 6 - 6) = 11.38296 eV 1 --> G_4
e( 7 - 7) = 12.11074 eV 1 --> G_4
e( 8 - 8) = 12.46238 eV 1 --> G_3
e( 9 - 9) = 12.54961 eV 1 --> G_4
e( 10 - 10) = 12.57637 eV 1 --> G_3
e( 11 - 11) = 13.42601 eV 1 --> G_3
e( 12 - 12) = 15.00963 eV 1 --> G_4
e( 13 - 13) = 29.64375 eV 1 --> G_3
e( 14 - 14) = 29.64416 eV 1 --> G_4
e( 15 - 15) = 29.93145 eV 1 --> G_3
e( 16 - 16) = 30.26961 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 7.56636 eV 1 --> G_3
e( 2 - 2) = 7.92385 eV 1 --> G_4
e( 3 - 3) = 9.95872 eV 1 --> G_3
e( 4 - 4) = 10.63338 eV 1 --> G_4
e( 5 - 5) = 10.63572 eV 1 --> G_3
e( 6 - 6) = 11.29474 eV 1 --> G_4
e( 7 - 7) = 12.28730 eV 1 --> G_4
e( 8 - 8) = 12.30468 eV 1 --> G_3
e( 9 - 9) = 12.48803 eV 1 --> G_4
e( 10 - 10) = 12.49812 eV 1 --> G_3
e( 11 - 11) = 13.32594 eV 1 --> G_3
e( 12 - 12) = 14.92605 eV 1 --> G_4
e( 13 - 13) = 30.18380 eV 1 --> G_3
e( 14 - 14) = 30.20709 eV 1 --> G_4
e( 15 - 15) = 30.21194 eV 1 --> G_3
e( 16 - 16) = 30.68411 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 7.31341 eV 1 --> G_3
e( 2 - 2) = 7.60987 eV 1 --> G_4
e( 3 - 3) = 10.09746 eV 1 --> G_3
e( 4 - 4) = 10.57783 eV 1 --> G_4
e( 5 - 5) = 10.58054 eV 1 --> G_3
e( 6 - 6) = 11.20728 eV 1 --> G_4
e( 7 - 7) = 12.16934 eV 1 --> G_3
e( 8 - 8) = 12.41748 eV 1 --> G_4
e( 9 - 9) = 12.43893 eV 1 --> G_3
e( 10 - 10) = 12.48036 eV 1 --> G_4
e( 11 - 11) = 13.22735 eV 1 --> G_3
e( 12 - 12) = 14.85569 eV 1 --> G_4
e( 13 - 13) = 30.46555 eV 1 --> G_3
e( 14 - 14) = 30.77618 eV 1 --> G_4
e( 15 - 15) = 30.77718 eV 1 --> G_3
e( 16 - 16) = 30.91783 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 7.04636 eV 1 --> G_3
e( 2 - 2) = 7.29600 eV 1 --> G_4
e( 3 - 3) = 10.23310 eV 1 --> G_3
e( 4 - 4) = 10.52948 eV 1 --> G_4
e( 5 - 5) = 10.53322 eV 1 --> G_3
e( 6 - 6) = 11.12152 eV 1 --> G_4
e( 7 - 7) = 12.05855 eV 1 --> G_3
e( 8 - 8) = 12.38093 eV 1 --> G_4
e( 9 - 9) = 12.39051 eV 1 --> G_3
e( 10 - 10) = 12.64560 eV 1 --> G_4
e( 11 - 11) = 13.13102 eV 1 --> G_3
e( 12 - 12) = 14.79480 eV 1 --> G_4
e( 13 - 13) = 30.76366 eV 1 --> G_3
e( 14 - 14) = 31.16846 eV 1 --> G_4
e( 15 - 15) = 31.35167 eV 1 --> G_3
e( 16 - 16) = 31.35248 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 6.77212 eV 1 --> G_3
e( 2 - 2) = 6.98655 eV 1 --> G_4
e( 3 - 3) = 10.36253 eV 1 --> G_3
e( 4 - 4) = 10.48807 eV 1 --> G_4
e( 5 - 5) = 10.49565 eV 1 --> G_3
e( 6 - 6) = 11.03808 eV 1 --> G_4
e( 7 - 7) = 11.96850 eV 1 --> G_3
e( 8 - 8) = 12.34349 eV 1 --> G_4
e( 9 - 9) = 12.35095 eV 1 --> G_3
e( 10 - 10) = 12.81621 eV 1 --> G_4
e( 11 - 11) = 13.03752 eV 1 --> G_3
e( 12 - 12) = 14.74100 eV 1 --> G_4
e( 13 - 13) = 31.08298 eV 1 --> G_3
e( 14 - 14) = 31.44191 eV 1 --> G_4
e( 15 - 15) = 31.92926 eV 1 --> G_3
e( 16 - 16) = 31.92975 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 6.49670 eV 1 --> G_3
e( 2 - 2) = 6.68507 eV 1 --> G_4
e( 3 - 3) = 10.43954 eV 1 --> G_3
e( 4 - 4) = 10.45307 eV 1 --> G_4
e( 5 - 5) = 10.51266 eV 1 --> G_3
e( 6 - 6) = 10.95753 eV 1 --> G_4
e( 7 - 7) = 11.89342 eV 1 --> G_3
e( 8 - 8) = 12.31273 eV 1 --> G_4
e( 9 - 9) = 12.31908 eV 1 --> G_3
e( 10 - 10) = 12.94740 eV 1 --> G_3
e( 11 - 11) = 12.98266 eV 1 --> G_4
e( 12 - 12) = 14.69078 eV 1 --> G_4
e( 13 - 13) = 31.42410 eV 1 --> G_3
e( 14 - 14) = 31.73665 eV 1 --> G_4
e( 15 - 15) = 32.50740 eV 1 --> G_3
e( 16 - 16) = 32.50788 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 6.22535 eV 1 --> G_3
e( 2 - 2) = 6.39465 eV 1 --> G_4
e( 3 - 3) = 10.42116 eV 1 --> G_3
e( 4 - 4) = 10.42436 eV 1 --> G_4
e( 5 - 5) = 10.62639 eV 1 --> G_3
e( 6 - 6) = 10.88063 eV 1 --> G_4
e( 7 - 7) = 11.82914 eV 1 --> G_3
e( 8 - 8) = 12.28878 eV 1 --> G_4
e( 9 - 9) = 12.29436 eV 1 --> G_3
e( 10 - 10) = 12.86145 eV 1 --> G_3
e( 11 - 11) = 13.14341 eV 1 --> G_4
e( 12 - 12) = 14.64240 eV 1 --> G_4
e( 13 - 13) = 31.78741 eV 1 --> G_3
e( 14 - 14) = 32.05354 eV 1 --> G_4
e( 15 - 15) = 33.08292 eV 1 --> G_3
e( 16 - 16) = 33.08342 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 5.96237 eV 1 --> G_3
e( 2 - 2) = 6.11788 eV 1 --> G_4
e( 3 - 3) = 10.39949 eV 1 --> G_3
e( 4 - 4) = 10.40080 eV 1 --> G_4
e( 5 - 5) = 10.74252 eV 1 --> G_3
e( 6 - 6) = 10.80733 eV 1 --> G_4
e( 7 - 7) = 11.77476 eV 1 --> G_3
e( 8 - 8) = 12.27065 eV 1 --> G_4
e( 9 - 9) = 12.27564 eV 1 --> G_3
e( 10 - 10) = 12.77965 eV 1 --> G_3
e( 11 - 11) = 13.29693 eV 1 --> G_4
e( 12 - 12) = 14.59699 eV 1 --> G_4
e( 13 - 13) = 32.17310 eV 1 --> G_3
e( 14 - 14) = 32.39295 eV 1 --> G_4
e( 15 - 15) = 33.65166 eV 1 --> G_3
e( 16 - 16) = 33.65218 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 5.71129 eV 1 --> G_3
e( 2 - 2) = 5.85692 eV 1 --> G_4
e( 3 - 3) = 10.38172 eV 1 --> G_3
e( 4 - 4) = 10.38211 eV 1 --> G_4
e( 5 - 5) = 10.73835 eV 1 --> G_4
e( 6 - 6) = 10.85298 eV 1 --> G_3
e( 7 - 7) = 11.72720 eV 1 --> G_3
e( 8 - 8) = 12.25786 eV 1 --> G_4
e( 9 - 9) = 12.26233 eV 1 --> G_3
e( 10 - 10) = 12.70273 eV 1 --> G_3
e( 11 - 11) = 13.44224 eV 1 --> G_4
e( 12 - 12) = 14.55323 eV 1 --> G_4
e( 13 - 13) = 32.58109 eV 1 --> G_3
e( 14 - 14) = 32.75491 eV 1 --> G_4
e( 15 - 15) = 34.20805 eV 1 --> G_3
e( 16 - 16) = 34.20858 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 5.47497 eV 1 --> G_3
e( 2 - 2) = 5.61361 eV 1 --> G_4
e( 3 - 3) = 10.36768 eV 1 --> G_4
e( 4 - 4) = 10.36799 eV 1 --> G_3
e( 5 - 5) = 10.67413 eV 1 --> G_4
e( 6 - 6) = 10.95635 eV 1 --> G_3
e( 7 - 7) = 11.68505 eV 1 --> G_3
e( 8 - 8) = 12.24968 eV 1 --> G_4
e( 9 - 9) = 12.25363 eV 1 --> G_3
e( 10 - 10) = 12.63115 eV 1 --> G_3
e( 11 - 11) = 13.57832 eV 1 --> G_4
e( 12 - 12) = 14.51111 eV 1 --> G_4
e( 13 - 13) = 33.01092 eV 1 --> G_3
e( 14 - 14) = 33.13901 eV 1 --> G_4
e( 15 - 15) = 34.74459 eV 1 --> G_3
e( 16 - 16) = 34.74510 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 5.25572 eV 1 --> G_3
e( 2 - 2) = 5.38948 eV 1 --> G_4
e( 3 - 3) = 10.35684 eV 1 --> G_4
e( 4 - 4) = 10.35786 eV 1 --> G_3
e( 5 - 5) = 10.61506 eV 1 --> G_4
e( 6 - 6) = 11.05181 eV 1 --> G_3
e( 7 - 7) = 11.64740 eV 1 --> G_3
e( 8 - 8) = 12.24533 eV 1 --> G_4
e( 9 - 9) = 12.24873 eV 1 --> G_3
e( 10 - 10) = 12.56535 eV 1 --> G_3
e( 11 - 11) = 13.70422 eV 1 --> G_4
e( 12 - 12) = 14.47087 eV 1 --> G_4
e( 13 - 13) = 33.46164 eV 1 --> G_3
e( 14 - 14) = 33.54427 eV 1 --> G_4
e( 15 - 15) = 35.25131 eV 1 --> G_3
e( 16 - 16) = 35.25178 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 5.05544 eV 1 --> G_3
e( 2 - 2) = 5.18585 eV 1 --> G_4
e( 3 - 3) = 10.34892 eV 1 --> G_4
e( 4 - 4) = 10.35078 eV 1 --> G_3
e( 5 - 5) = 10.56157 eV 1 --> G_4
e( 6 - 6) = 11.13872 eV 1 --> G_3
e( 7 - 7) = 11.61390 eV 1 --> G_3
e( 8 - 8) = 12.24404 eV 1 --> G_4
e( 9 - 9) = 12.24679 eV 1 --> G_3
e( 10 - 10) = 12.50571 eV 1 --> G_3
e( 11 - 11) = 13.81909 eV 1 --> G_4
e( 12 - 12) = 14.43312 eV 1 --> G_4
e( 13 - 13) = 33.93158 eV 1 --> G_3
e( 14 - 14) = 33.96883 eV 1 --> G_4
e( 15 - 15) = 35.71551 eV 1 --> G_3
e( 16 - 16) = 35.71596 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 4.87567 eV 1 --> G_3
e( 2 - 2) = 5.00382 eV 1 --> G_4
e( 3 - 3) = 10.34289 eV 1 --> G_4
e( 4 - 4) = 10.34587 eV 1 --> G_3
e( 5 - 5) = 10.51404 eV 1 --> G_4
e( 6 - 6) = 11.21641 eV 1 --> G_3
e( 7 - 7) = 11.58387 eV 1 --> G_3
e( 8 - 8) = 12.24474 eV 1 --> G_4
e( 9 - 9) = 12.24667 eV 1 --> G_3
e( 10 - 10) = 12.45265 eV 1 --> G_3
e( 11 - 11) = 13.92202 eV 1 --> G_4
e( 12 - 12) = 14.39787 eV 1 --> G_4
e( 13 - 13) = 34.40962 eV 1 --> G_4
e( 14 - 14) = 34.41797 eV 1 --> G_3
e( 15 - 15) = 36.12203 eV 1 --> G_3
e( 16 - 16) = 36.12250 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 4.71765 eV 1 --> G_3
e( 2 - 2) = 4.84432 eV 1 --> G_4
e( 3 - 3) = 10.33862 eV 1 --> G_4
e( 4 - 4) = 10.34319 eV 1 --> G_3
e( 5 - 5) = 10.47295 eV 1 --> G_4
e( 6 - 6) = 11.28468 eV 1 --> G_3
e( 7 - 7) = 11.55757 eV 1 --> G_3
e( 8 - 8) = 12.24731 eV 1 --> G_4
e( 9 - 9) = 12.24809 eV 1 --> G_3
e( 10 - 10) = 12.40659 eV 1 --> G_3
e( 11 - 11) = 14.01267 eV 1 --> G_4
e( 12 - 12) = 14.36601 eV 1 --> G_4
e( 13 - 13) = 34.86161 eV 1 --> G_4
e( 14 - 14) = 34.91625 eV 1 --> G_3
e( 15 - 15) = 36.42794 eV 1 --> G_3
e( 16 - 16) = 36.42831 eV 1 --> G_4
**************************************************************************
**************************************************************************
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) = 4.58240 eV 1 --> G_3
e( 2 - 2) = 4.70813 eV 1 --> G_4
e( 3 - 3) = 10.33499 eV 1 --> G_4
e( 4 - 4) = 10.34192 eV 1 --> G_3
e( 5 - 5) = 10.43882 eV 1 --> G_4
e( 6 - 6) = 11.34301 eV 1 --> G_3
e( 7 - 7) = 11.53499 eV 1 --> G_3
e( 8 - 8) = 12.24982 eV 1 --> G_3
e( 9 - 9) = 12.25076 eV 1 --> G_4
e( 10 - 10) = 12.36801 eV 1 --> G_3
e( 11 - 11) = 14.09030 eV 1 --> G_4
e( 12 - 12) = 14.33801 eV 1 --> G_4
e( 13 - 13) = 35.31675 eV 1 --> G_4
e( 14 - 14) = 35.41903 eV 1 --> G_3
e( 15 - 15) = 36.60330 eV 1 --> G_3
e( 16 - 16) = 36.60341 eV 1 --> 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) = 4.47071 eV 1 --> G_3
e( 2 - 2) = 4.59587 eV 1 --> G_4
e( 3 - 3) = 10.33114 eV 1 --> G_4
e( 4 - 4) = 10.34158 eV 1 --> G_3
e( 5 - 5) = 10.41221 eV 1 --> G_4
e( 6 - 6) = 11.39108 eV 1 --> G_3
e( 7 - 7) = 11.51625 eV 1 --> G_3
e( 8 - 8) = 12.25084 eV 1 --> G_3
e( 9 - 9) = 12.25450 eV 1 --> G_4
e( 10 - 10) = 12.33753 eV 1 --> G_3
e( 11 - 11) = 14.15444 eV 1 --> G_4
e( 12 - 12) = 14.31436 eV 1 --> G_4
e( 13 - 13) = 35.76207 eV 1 --> G_4
e( 14 - 14) = 35.91390 eV 1 --> G_3
e( 15 - 16) = 36.71889 eV 2 --> G_3
e( 15 - 16) = 36.71889 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) = 4.38323 eV 1 --> G_3
e( 2 - 2) = 4.50805 eV 1 --> G_4
e( 3 - 3) = 10.32716 eV 1 --> G_4
e( 4 - 4) = 10.34247 eV 1 --> G_3
e( 5 - 5) = 10.39412 eV 1 --> G_4
e( 6 - 6) = 11.42904 eV 1 --> G_3
e( 7 - 7) = 11.50158 eV 1 --> G_3
e( 8 - 8) = 12.25077 eV 1 --> G_3
e( 9 - 9) = 12.25867 eV 1 --> G_4
e( 10 - 10) = 12.31642 eV 1 --> G_3
e( 11 - 11) = 14.20514 eV 1 --> G_4
e( 12 - 12) = 14.29551 eV 1 --> G_4
e( 13 - 13) = 36.17671 eV 1 --> G_4
e( 14 - 14) = 36.37989 eV 1 --> G_3
e( 15 - 16) = 36.79102 eV 2 --> G_3
e( 15 - 16) = 36.79102 eV 2 --> 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) = 4.32042 eV 1 --> G_3
e( 2 - 2) = 4.44506 eV 1 --> G_4
e( 3 - 3) = 10.32243 eV 1 --> G_4
e( 4 - 4) = 10.34340 eV 1 --> G_3
e( 5 - 5) = 10.38300 eV 1 --> G_4
e( 6 - 6) = 11.45586 eV 1 --> G_3
e( 7 - 7) = 11.49144 eV 1 --> G_3
e( 8 - 8) = 12.24839 eV 1 --> G_3
e( 9 - 9) = 12.26202 eV 1 --> G_4
e( 10 - 10) = 12.30370 eV 1 --> G_3
e( 11 - 11) = 14.24131 eV 1 --> G_4
e( 12 - 12) = 14.28209 eV 1 --> G_4
e( 13 - 13) = 36.52818 eV 1 --> G_4
e( 14 - 14) = 36.78180 eV 1 --> G_3
e( 15 - 16) = 36.83253 eV 2 --> G_3
e( 15 - 16) = 36.83253 eV 2 --> 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) = 4.28260 eV 1 --> G_3
e( 2 - 2) = 4.40715 eV 1 --> G_4
e( 3 - 3) = 10.31827 eV 1 --> G_4
e( 4 - 4) = 10.34373 eV 1 --> G_3
e( 5 - 5) = 10.37728 eV 1 --> G_4
e( 6 - 6) = 11.47140 eV 1 --> G_3
e( 7 - 7) = 11.48568 eV 1 --> G_3
e( 8 - 8) = 12.24507 eV 1 --> G_3
e( 9 - 9) = 12.26383 eV 1 --> G_4
e( 10 - 10) = 12.29764 eV 1 --> G_3
e( 11 - 11) = 14.26304 eV 1 --> G_4
e( 12 - 12) = 14.27376 eV 1 --> G_4
e( 13 - 13) = 36.77140 eV 1 --> G_4
e( 14 - 15) = 36.85335 eV 2 --> G_3
e( 14 - 15) = 36.85335 eV 2 --> G_4
e( 16 - 16) = 37.06591 eV 1 --> G_3
**************************************************************************
**************************************************************************
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 C4^2 -C4^2 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 C4^2 -C4^2 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:
E 1
C4^2 2
C4^3 3
C4 4
i 5
s_h 6
S4 7
S4^3 8
-E -1
-C4^2 -2
-C4^3 -3
-C4 -4
-i -5
-s_h -6
-S4 -7
-S4^3 -8
Band symmetry, D_4h(4/mmm) [C_4h (4/m) ] magnetic double point group,
using C_4h (4/m)
e( 1 - 1) = 4.26997 eV 1 --> G_5+
e( 2 - 2) = 4.39450 eV 1 --> G_6+
e( 3 - 3) = 10.31669 eV 1 --> G_6+
e( 4 - 4) = 10.34385 eV 1 --> G_7+
e( 5 - 5) = 10.37558 eV 1 --> G_8+
e( 6 - 6) = 11.47572 eV 1 --> G_5+
e( 7 - 7) = 11.48462 eV 1 --> G_7+
e( 8 - 8) = 12.24363 eV 1 --> G_5+
e( 9 - 9) = 12.26446 eV 1 --> G_8+
e( 10 - 10) = 12.29597 eV 1 --> G_7+
e( 11 - 11) = 14.27004 eV 1 --> G_6+
e( 12 - 12) = 14.27123 eV 1 --> G_8+
e( 13 - 15) = 36.85961 eV 3 --> G_5-
e( 13 - 15) = 36.85961 eV 3 --> G_7-
e( 13 - 15) = 36.85961 eV 3 --> G_8-
e( 16 - 16) = 37.17063 eV 1 --> G_6-
**************************************************************************
**************************************************************************
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 C4^2 -C4^2 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 C4^2 -C4^2 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:
E 1
C4^2 2
C4^3 3
C4 4
-E -1
-C4^2 -2
-C4^3 -3
-C4 -4
Band symmetry, D_4 (422) [C_4 (4) ] magnetic double point group,
using C_4 (4)
e( 1 - 1) = 4.28260 eV 1 --> G_5
e( 2 - 2) = 4.40715 eV 1 --> G_6
e( 3 - 3) = 10.31656 eV 1 --> G_6
e( 4 - 4) = 10.34724 eV 1 --> G_7
e( 5 - 5) = 10.37546 eV 1 --> G_8
e( 6 - 6) = 11.47787 eV 1 --> G_5
e( 7 - 7) = 11.47917 eV 1 --> G_7
e( 8 - 8) = 12.24302 eV 1 --> G_5
e( 9 - 9) = 12.26823 eV 1 --> G_8
e( 10 - 10) = 12.29533 eV 1 --> G_7
e( 11 - 11) = 14.26397 eV 1 --> G_8
e( 12 - 12) = 14.27284 eV 1 --> G_6
e( 13 - 13) = 36.77142 eV 1 --> G_8
e( 14 - 14) = 36.85350 eV 1 --> G_7
e( 15 - 15) = 37.06610 eV 1 --> G_7
e( 16 - 16) = 37.15806 eV 1 --> G_6
**************************************************************************
**************************************************************************
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) = 4.32042 eV 1 --> G_5
e( 2 - 2) = 4.44505 eV 1 --> G_6
e( 3 - 3) = 10.31622 eV 1 --> G_6
e( 4 - 4) = 10.35737 eV 1 --> G_7
e( 5 - 5) = 10.37514 eV 1 --> G_8
e( 6 - 6) = 11.46287 eV 1 --> G_7
e( 7 - 7) = 11.48431 eV 1 --> G_5
e( 8 - 8) = 12.24127 eV 1 --> G_5
e( 9 - 9) = 12.27954 eV 1 --> G_8
e( 10 - 10) = 12.29349 eV 1 --> G_7
e( 11 - 11) = 14.24224 eV 1 --> G_8
e( 12 - 12) = 14.28120 eV 1 --> G_6
e( 13 - 13) = 36.52820 eV 1 --> G_8
e( 14 - 14) = 36.78197 eV 1 --> G_7
e( 15 - 15) = 36.83185 eV 1 --> G_5
e( 16 - 16) = 36.83322 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 4.38323 eV 1 --> G_5
e( 2 - 2) = 4.50805 eV 1 --> G_6
e( 3 - 3) = 10.31527 eV 1 --> G_6
e( 4 - 4) = 10.37402 eV 1 --> G_7
e( 5 - 5) = 10.37422 eV 1 --> G_8
e( 6 - 6) = 11.43576 eV 1 --> G_7
e( 7 - 7) = 11.49462 eV 1 --> G_5
e( 8 - 8) = 12.23802 eV 1 --> G_5
e( 9 - 9) = 12.29009 eV 1 --> G_7
e( 10 - 10) = 12.29816 eV 1 --> G_8
e( 11 - 11) = 14.20609 eV 1 --> G_8
e( 12 - 12) = 14.29463 eV 1 --> G_6
e( 13 - 13) = 36.17674 eV 1 --> G_8
e( 14 - 14) = 36.38009 eV 1 --> G_7
e( 15 - 15) = 36.79276 eV 1 --> G_7
e( 16 - 16) = 37.03968 eV 1 --> G_6
**************************************************************************
**************************************************************************
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) = 4.47071 eV 1 --> G_5
e( 2 - 2) = 4.59586 eV 1 --> G_6
e( 3 - 3) = 10.31435 eV 1 --> G_6
e( 4 - 4) = 10.37336 eV 1 --> G_8
e( 5 - 5) = 10.39677 eV 1 --> G_7
e( 6 - 6) = 11.39766 eV 1 --> G_7
e( 7 - 7) = 11.50932 eV 1 --> G_5
e( 8 - 8) = 12.23399 eV 1 --> G_5
e( 9 - 9) = 12.28585 eV 1 --> G_7
e( 10 - 10) = 12.32370 eV 1 --> G_8
e( 11 - 11) = 14.15544 eV 1 --> G_8
e( 12 - 12) = 14.31349 eV 1 --> G_6
e( 13 - 13) = 35.76211 eV 1 --> G_8
e( 14 - 14) = 35.91412 eV 1 --> G_7
e( 15 - 15) = 36.71532 eV 1 --> G_5
e( 16 - 16) = 36.72260 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 4.58240 eV 1 --> G_5
e( 2 - 2) = 4.70812 eV 1 --> G_6
e( 3 - 3) = 10.31466 eV 1 --> G_6
e( 4 - 4) = 10.37374 eV 1 --> G_8
e( 5 - 5) = 10.42659 eV 1 --> G_7
e( 6 - 6) = 11.34957 eV 1 --> G_7
e( 7 - 7) = 11.52801 eV 1 --> G_5
e( 8 - 8) = 12.23044 eV 1 --> G_5
e( 9 - 9) = 12.28205 eV 1 --> G_7
e( 10 - 10) = 12.35707 eV 1 --> G_8
e( 11 - 11) = 14.09135 eV 1 --> G_8
e( 12 - 12) = 14.33716 eV 1 --> G_6
e( 13 - 13) = 35.31680 eV 1 --> G_8
e( 14 - 14) = 35.41926 eV 1 --> G_7
e( 15 - 15) = 36.61050 eV 1 --> G_7
e( 16 - 16) = 36.71890 eV 1 --> G_6
**************************************************************************
**************************************************************************
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) = 4.71765 eV 1 --> G_5
e( 2 - 2) = 4.84432 eV 1 --> G_6
e( 3 - 3) = 10.31590 eV 1 --> G_6
e( 4 - 4) = 10.37507 eV 1 --> G_8
e( 5 - 5) = 10.46263 eV 1 --> G_7
e( 6 - 6) = 11.29137 eV 1 --> G_7
e( 7 - 7) = 11.55050 eV 1 --> G_5
e( 8 - 8) = 12.22720 eV 1 --> G_5
e( 9 - 9) = 12.27852 eV 1 --> G_7
e( 10 - 10) = 12.39749 eV 1 --> G_8
e( 11 - 11) = 14.01381 eV 1 --> G_8
e( 12 - 12) = 14.36517 eV 1 --> G_6
e( 13 - 13) = 34.86166 eV 1 --> G_8
e( 14 - 14) = 34.91650 eV 1 --> G_7
e( 15 - 15) = 36.42132 eV 1 --> G_5
e( 16 - 16) = 36.44380 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 4.87567 eV 1 --> G_5
e( 2 - 2) = 5.00381 eV 1 --> G_6
e( 3 - 3) = 10.31855 eV 1 --> G_6
e( 4 - 4) = 10.37783 eV 1 --> G_8
e( 5 - 5) = 10.50459 eV 1 --> G_7
e( 6 - 6) = 11.22349 eV 1 --> G_7
e( 7 - 7) = 11.57667 eV 1 --> G_5
e( 8 - 8) = 12.22491 eV 1 --> G_5
e( 9 - 9) = 12.27590 eV 1 --> G_7
e( 10 - 10) = 12.44474 eV 1 --> G_8
e( 11 - 11) = 13.92330 eV 1 --> G_8
e( 12 - 12) = 14.39704 eV 1 --> G_6
e( 13 - 13) = 34.40967 eV 1 --> G_8
e( 14 - 14) = 34.41822 eV 1 --> G_7
e( 15 - 15) = 36.10459 eV 1 --> G_6
e( 16 - 16) = 36.15074 eV 1 --> G_8
**************************************************************************
**************************************************************************
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) = 5.05545 eV 1 --> G_5
e( 2 - 2) = 5.18584 eV 1 --> G_6
e( 3 - 3) = 10.32345 eV 1 --> G_6
e( 4 - 4) = 10.38287 eV 1 --> G_8
e( 5 - 5) = 10.55207 eV 1 --> G_7
e( 6 - 6) = 11.14660 eV 1 --> G_7
e( 7 - 7) = 11.60653 eV 1 --> G_5
e( 8 - 8) = 12.22452 eV 1 --> G_5
e( 9 - 9) = 12.27517 eV 1 --> G_7
e( 10 - 10) = 12.49854 eV 1 --> G_8
e( 11 - 11) = 13.82055 eV 1 --> G_8
e( 12 - 12) = 14.43231 eV 1 --> G_6
e( 13 - 13) = 33.93185 eV 1 --> G_7
e( 14 - 14) = 33.96890 eV 1 --> G_8
e( 15 - 15) = 35.68920 eV 1 --> G_6
e( 16 - 16) = 35.75106 eV 1 --> G_8
**************************************************************************
**************************************************************************
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) = 5.25573 eV 1 --> G_5
e( 2 - 2) = 5.38946 eV 1 --> G_6
e( 3 - 3) = 10.33055 eV 1 --> G_6
e( 4 - 4) = 10.39014 eV 1 --> G_8
e( 5 - 5) = 10.60434 eV 1 --> G_7
e( 6 - 6) = 11.06136 eV 1 --> G_7
e( 7 - 7) = 11.63982 eV 1 --> G_5
e( 8 - 8) = 12.22618 eV 1 --> G_5
e( 9 - 9) = 12.27646 eV 1 --> G_7
e( 10 - 10) = 12.55856 eV 1 --> G_8
e( 11 - 11) = 13.70596 eV 1 --> G_8
e( 12 - 12) = 14.47007 eV 1 --> G_6
e( 13 - 13) = 33.46191 eV 1 --> G_7
e( 14 - 14) = 33.54434 eV 1 --> G_8
e( 15 - 15) = 35.21780 eV 1 --> G_6
e( 16 - 16) = 35.29469 eV 1 --> G_8
**************************************************************************
**************************************************************************
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) = 5.47497 eV 1 --> G_5
e( 2 - 2) = 5.61359 eV 1 --> G_6
e( 3 - 3) = 10.34075 eV 1 --> G_6
e( 4 - 4) = 10.40055 eV 1 --> G_8
e( 5 - 5) = 10.65966 eV 1 --> G_7
e( 6 - 6) = 10.96983 eV 1 --> G_7
e( 7 - 7) = 11.67722 eV 1 --> G_5
e( 8 - 8) = 12.23097 eV 1 --> G_5
e( 9 - 9) = 12.28085 eV 1 --> G_7
e( 10 - 10) = 12.62440 eV 1 --> G_8
e( 11 - 11) = 13.58050 eV 1 --> G_8
e( 12 - 12) = 14.51033 eV 1 --> G_6
e( 13 - 13) = 33.01119 eV 1 --> G_7
e( 14 - 14) = 33.13908 eV 1 --> G_8
e( 15 - 15) = 34.70489 eV 1 --> G_6
e( 16 - 16) = 34.79528 eV 1 --> G_8
**************************************************************************
**************************************************************************
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) = 5.71130 eV 1 --> G_5
e( 2 - 2) = 5.85690 eV 1 --> G_6
e( 3 - 3) = 10.35468 eV 1 --> G_6
e( 4 - 4) = 10.41472 eV 1 --> G_8
e( 5 - 5) = 10.71042 eV 1 --> G_7
e( 6 - 6) = 10.87987 eV 1 --> G_7
e( 7 - 7) = 11.71907 eV 1 --> G_5
e( 8 - 8) = 12.23966 eV 1 --> G_5
e( 9 - 9) = 12.28912 eV 1 --> G_7
e( 10 - 10) = 12.69553 eV 1 --> G_8
e( 11 - 11) = 13.44521 eV 1 --> G_8
e( 12 - 12) = 14.55247 eV 1 --> G_6
e( 13 - 13) = 32.58137 eV 1 --> G_7
e( 14 - 14) = 32.75498 eV 1 --> G_8
e( 15 - 15) = 34.16307 eV 1 --> G_6
e( 16 - 16) = 34.26516 eV 1 --> G_8
**************************************************************************
**************************************************************************
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) = 5.96238 eV 1 --> G_5
e( 2 - 2) = 6.11785 eV 1 --> G_6
e( 3 - 3) = 10.37294 eV 1 --> G_6
e( 4 - 4) = 10.43325 eV 1 --> G_8
e( 5 - 5) = 10.70440 eV 1 --> G_7
e( 6 - 6) = 10.84398 eV 1 --> G_7
e( 7 - 7) = 11.76627 eV 1 --> G_5
e( 8 - 8) = 12.25307 eV 1 --> G_5
e( 9 - 9) = 12.30206 eV 1 --> G_7
e( 10 - 10) = 12.77105 eV 1 --> G_8
e( 11 - 11) = 13.30148 eV 1 --> G_8
e( 12 - 12) = 14.59624 eV 1 --> G_6
e( 13 - 13) = 32.17340 eV 1 --> G_7
e( 14 - 14) = 32.39302 eV 1 --> G_8
e( 15 - 15) = 33.60224 eV 1 --> G_6
e( 16 - 16) = 33.71427 eV 1 --> G_8
**************************************************************************
**************************************************************************
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) = 6.22535 eV 1 --> G_5
e( 2 - 2) = 6.39462 eV 1 --> G_6
e( 3 - 3) = 10.39612 eV 1 --> G_6
e( 4 - 4) = 10.45675 eV 1 --> G_8
e( 5 - 5) = 10.60970 eV 1 --> G_7
e( 6 - 6) = 10.89434 eV 1 --> G_7
e( 7 - 7) = 11.82021 eV 1 --> G_5
e( 8 - 8) = 12.27198 eV 1 --> G_5
e( 9 - 9) = 12.32041 eV 1 --> G_7
e( 10 - 10) = 12.84848 eV 1 --> G_8
e( 11 - 11) = 13.15241 eV 1 --> G_8
e( 12 - 12) = 14.64166 eV 1 --> G_6
e( 13 - 13) = 31.78772 eV 1 --> G_7
e( 14 - 14) = 32.05361 eV 1 --> G_8
e( 15 - 15) = 33.02977 eV 1 --> G_6
e( 16 - 16) = 33.15021 eV 1 --> G_8
**************************************************************************
**************************************************************************
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) = 6.49670 eV 1 --> G_5
e( 2 - 2) = 6.68503 eV 1 --> G_6
e( 3 - 3) = 10.42449 eV 1 --> G_6
e( 4 - 4) = 10.48548 eV 1 --> G_8
e( 5 - 5) = 10.49157 eV 1 --> G_7
e( 6 - 6) = 10.96565 eV 1 --> G_7
e( 7 - 7) = 11.88389 eV 1 --> G_5
e( 8 - 8) = 12.29705 eV 1 --> G_5
e( 9 - 9) = 12.34471 eV 1 --> G_7
e( 10 - 10) = 12.90443 eV 1 --> G_8
e( 11 - 11) = 13.02156 eV 1 --> G_8
e( 12 - 12) = 14.69005 eV 1 --> G_6
e( 13 - 13) = 31.42442 eV 1 --> G_7
e( 14 - 14) = 31.73671 eV 1 --> G_8
e( 15 - 15) = 32.45110 eV 1 --> G_6
e( 16 - 16) = 32.57870 eV 1 --> G_8
**************************************************************************
**************************************************************************
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) = 6.77212 eV 1 --> G_5
e( 2 - 2) = 6.98650 eV 1 --> G_6
e( 3 - 3) = 10.36503 eV 1 --> G_7
e( 4 - 4) = 10.45918 eV 1 --> G_6
e( 5 - 5) = 10.52054 eV 1 --> G_8
e( 6 - 6) = 11.04401 eV 1 --> G_7
e( 7 - 7) = 11.95817 eV 1 --> G_5
e( 8 - 8) = 12.32949 eV 1 --> G_5
e( 9 - 9) = 12.37605 eV 1 --> G_7
e( 10 - 10) = 12.80038 eV 1 --> G_8
e( 11 - 11) = 13.04889 eV 1 --> G_8
e( 12 - 12) = 14.74028 eV 1 --> G_6
e( 13 - 13) = 31.08333 eV 1 --> G_7
e( 14 - 14) = 31.44191 eV 1 --> G_8
e( 15 - 15) = 31.87030 eV 1 --> G_6
e( 16 - 16) = 32.00407 eV 1 --> G_8
**************************************************************************
**************************************************************************
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) = 7.04635 eV 1 --> G_5
e( 2 - 2) = 7.29594 eV 1 --> G_6
e( 3 - 3) = 10.23305 eV 1 --> G_7
e( 4 - 4) = 10.50029 eV 1 --> G_6
e( 5 - 5) = 10.56207 eV 1 --> G_8
e( 6 - 6) = 11.12645 eV 1 --> G_7
e( 7 - 7) = 12.04698 eV 1 --> G_5
e( 8 - 8) = 12.37005 eV 1 --> G_5
e( 9 - 9) = 12.41477 eV 1 --> G_7
e( 10 - 10) = 12.63537 eV 1 --> G_8
e( 11 - 11) = 13.13562 eV 1 --> G_8
e( 12 - 12) = 14.79409 eV 1 --> G_6
e( 13 - 13) = 30.76406 eV 1 --> G_7
e( 14 - 14) = 31.16829 eV 1 --> G_8
e( 15 - 15) = 31.29043 eV 1 --> G_6
e( 16 - 16) = 31.42997 eV 1 --> G_8
**************************************************************************
**************************************************************************
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) = 7.31339 eV 1 --> G_5
e( 2 - 2) = 7.60980 eV 1 --> G_6
e( 3 - 3) = 10.09712 eV 1 --> G_7
e( 4 - 4) = 10.54835 eV 1 --> G_6
e( 5 - 5) = 10.61056 eV 1 --> G_8
e( 6 - 6) = 11.21185 eV 1 --> G_7
e( 7 - 7) = 12.15553 eV 1 --> G_5
e( 8 - 8) = 12.42049 eV 1 --> G_5
e( 9 - 9) = 12.46157 eV 1 --> G_7
e( 10 - 10) = 12.46195 eV 1 --> G_8
e( 11 - 11) = 13.22987 eV 1 --> G_8
e( 12 - 12) = 14.85500 eV 1 --> G_6
e( 13 - 13) = 30.46609 eV 1 --> G_7
e( 14 - 14) = 30.71388 eV 1 --> G_6
e( 15 - 15) = 30.85148 eV 1 --> G_8
e( 16 - 16) = 30.92260 eV 1 --> G_8
**************************************************************************
**************************************************************************
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) = 7.56633 eV 1 --> G_5
e( 2 - 2) = 7.92377 eV 1 --> G_6
e( 3 - 3) = 9.95839 eV 1 --> G_7
e( 4 - 4) = 10.60365 eV 1 --> G_6
e( 5 - 5) = 10.66629 eV 1 --> G_8
e( 6 - 6) = 11.29945 eV 1 --> G_7
e( 7 - 7) = 12.28490 eV 1 --> G_8
e( 8 - 8) = 12.28594 eV 1 --> G_5
e( 9 - 9) = 12.48441 eV 1 --> G_5
e( 10 - 10) = 12.51685 eV 1 --> G_7
e( 11 - 11) = 13.32749 eV 1 --> G_8
e( 12 - 12) = 14.92537 eV 1 --> G_6
e( 13 - 13) = 30.14262 eV 1 --> G_6
e( 14 - 14) = 30.18875 eV 1 --> G_7
e( 15 - 15) = 30.28818 eV 1 --> G_8
e( 16 - 16) = 30.68647 eV 1 --> G_8
**************************************************************************
**************************************************************************
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) = 7.79791 eV 1 --> G_5
e( 2 - 2) = 8.23286 eV 1 --> G_6
e( 3 - 3) = 9.81787 eV 1 --> G_7
e( 4 - 4) = 10.66587 eV 1 --> G_6
e( 5 - 5) = 10.72893 eV 1 --> G_8
e( 6 - 6) = 11.38846 eV 1 --> G_7
e( 7 - 7) = 12.10612 eV 1 --> G_8
e( 8 - 8) = 12.43069 eV 1 --> G_5
e( 9 - 9) = 12.57541 eV 1 --> G_5
e( 10 - 10) = 12.58047 eV 1 --> G_7
e( 11 - 11) = 13.42703 eV 1 --> G_8
e( 12 - 12) = 15.00897 eV 1 --> G_6
e( 13 - 13) = 29.57826 eV 1 --> G_6
e( 14 - 14) = 29.72749 eV 1 --> G_8
e( 15 - 15) = 29.93115 eV 1 --> G_7
e( 16 - 16) = 30.18947 eV 1 --> G_5
**************************************************************************
**************************************************************************
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) = 8.00146 eV 1 --> G_5
e( 2 - 2) = 8.53153 eV 1 --> G_6
e( 3 - 3) = 9.67658 eV 1 --> G_7
e( 4 - 4) = 10.73629 eV 1 --> G_6
e( 5 - 5) = 10.79969 eV 1 --> G_8
e( 6 - 6) = 11.47857 eV 1 --> G_7
e( 7 - 7) = 11.92713 eV 1 --> G_8
e( 8 - 8) = 12.55569 eV 1 --> G_5
e( 9 - 9) = 12.65375 eV 1 --> G_7
e( 10 - 10) = 12.73569 eV 1 --> G_5
e( 11 - 11) = 13.52798 eV 1 --> G_8
e( 12 - 12) = 15.11123 eV 1 --> G_6
e( 13 - 13) = 29.02226 eV 1 --> G_6
e( 14 - 14) = 29.17450 eV 1 --> G_8
e( 15 - 15) = 29.63497 eV 1 --> G_5
e( 16 - 16) = 29.69021 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.17152 eV 1 --> G_5
e( 2 - 2) = 8.81365 eV 1 --> G_6
e( 3 - 3) = 9.53547 eV 1 --> G_7
e( 4 - 4) = 10.81440 eV 1 --> G_6
e( 5 - 5) = 10.87799 eV 1 --> G_8
e( 6 - 6) = 11.56904 eV 1 --> G_7
e( 7 - 7) = 11.74923 eV 1 --> G_8
e( 8 - 8) = 12.65552 eV 1 --> G_5
e( 9 - 9) = 12.73634 eV 1 --> G_7
e( 10 - 10) = 12.97521 eV 1 --> G_5
e( 11 - 11) = 13.62946 eV 1 --> G_8
e( 12 - 12) = 15.23765 eV 1 --> G_6
e( 13 - 13) = 28.47595 eV 1 --> G_6
e( 14 - 14) = 28.63076 eV 1 --> G_8
e( 15 - 15) = 29.08696 eV 1 --> G_5
e( 16 - 16) = 29.23585 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.30491 eV 1 --> G_5
e( 2 - 2) = 9.07298 eV 1 --> G_6
e( 3 - 3) = 9.39546 eV 1 --> G_7
e( 4 - 4) = 10.90015 eV 1 --> G_6
e( 5 - 5) = 10.96357 eV 1 --> G_8
e( 6 - 6) = 11.57382 eV 1 --> G_8
e( 7 - 7) = 11.65929 eV 1 --> G_7
e( 8 - 8) = 12.75346 eV 1 --> G_5
e( 9 - 9) = 12.82830 eV 1 --> G_7
e( 10 - 10) = 13.27383 eV 1 --> G_5
e( 11 - 11) = 13.73080 eV 1 --> G_8
e( 12 - 12) = 15.39444 eV 1 --> G_6
e( 13 - 13) = 27.94058 eV 1 --> G_6
e( 14 - 14) = 28.09765 eV 1 --> G_8
e( 15 - 15) = 28.54693 eV 1 --> G_5
e( 16 - 16) = 28.69897 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.40081 eV 1 --> G_5
e( 2 - 2) = 9.25748 eV 1 --> G_7
e( 3 - 3) = 9.30348 eV 1 --> G_6
e( 4 - 4) = 10.99322 eV 1 --> G_6
e( 5 - 5) = 11.05531 eV 1 --> G_8
e( 6 - 6) = 11.40279 eV 1 --> G_8
e( 7 - 7) = 11.74874 eV 1 --> G_7
e( 8 - 8) = 12.85703 eV 1 --> G_5
e( 9 - 9) = 12.92940 eV 1 --> G_7
e( 10 - 10) = 13.62421 eV 1 --> G_5
e( 11 - 11) = 13.83132 eV 1 --> G_8
e( 12 - 12) = 15.58729 eV 1 --> G_6
e( 13 - 13) = 27.41741 eV 1 --> G_6
e( 14 - 14) = 27.57645 eV 1 --> G_8
e( 15 - 15) = 28.01626 eV 1 --> G_5
e( 16 - 16) = 28.17056 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.46171 eV 1 --> G_5
e( 2 - 2) = 9.12240 eV 1 --> G_7
e( 3 - 3) = 9.50080 eV 1 --> G_6
e( 4 - 4) = 11.09349 eV 1 --> G_6
e( 5 - 5) = 11.14348 eV 1 --> G_8
e( 6 - 6) = 11.24684 eV 1 --> G_8
e( 7 - 7) = 11.83682 eV 1 --> G_7
e( 8 - 8) = 12.96834 eV 1 --> G_5
e( 9 - 9) = 13.03967 eV 1 --> G_7
e( 10 - 10) = 13.93036 eV 1 --> G_8
e( 11 - 11) = 14.02320 eV 1 --> G_5
e( 12 - 12) = 15.82218 eV 1 --> G_6
e( 13 - 13) = 26.90771 eV 1 --> G_6
e( 14 - 14) = 27.06849 eV 1 --> G_8
e( 15 - 15) = 27.49637 eV 1 --> G_5
e( 16 - 16) = 27.65253 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.49106 eV 1 --> G_5
e( 2 - 2) = 8.99108 eV 1 --> G_7
e( 3 - 3) = 9.66183 eV 1 --> G_6
e( 4 - 4) = 11.05984 eV 1 --> G_8
e( 5 - 5) = 11.20035 eV 1 --> G_6
e( 6 - 6) = 11.27455 eV 1 --> G_8
e( 7 - 7) = 11.92295 eV 1 --> G_7
e( 8 - 8) = 13.08761 eV 1 --> G_5
e( 9 - 9) = 13.15857 eV 1 --> G_7
e( 10 - 10) = 14.02730 eV 1 --> G_8
e( 11 - 11) = 14.46642 eV 1 --> G_5
e( 12 - 12) = 16.10224 eV 1 --> G_6
e( 13 - 13) = 26.41282 eV 1 --> G_6
e( 14 - 14) = 26.57513 eV 1 --> G_8
e( 15 - 15) = 26.98863 eV 1 --> G_5
e( 16 - 16) = 27.14640 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.49357 eV 1 --> G_5
e( 2 - 2) = 8.86433 eV 1 --> G_7
e( 3 - 3) = 9.78589 eV 1 --> G_6
e( 4 - 4) = 10.90686 eV 1 --> G_8
e( 5 - 5) = 11.31308 eV 1 --> G_6
e( 6 - 6) = 11.38372 eV 1 --> G_8
e( 7 - 7) = 12.00657 eV 1 --> G_7
e( 8 - 8) = 13.21457 eV 1 --> G_5
e( 9 - 9) = 13.28553 eV 1 --> G_7
e( 10 - 10) = 14.12147 eV 1 --> G_8
e( 11 - 11) = 14.94929 eV 1 --> G_5
e( 12 - 12) = 16.42888 eV 1 --> G_6
e( 13 - 13) = 25.93416 eV 1 --> G_6
e( 14 - 14) = 26.09781 eV 1 --> G_8
e( 15 - 15) = 26.49453 eV 1 --> G_5
e( 16 - 16) = 26.65369 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.47428 eV 1 --> G_5
e( 2 - 2) = 8.74291 eV 1 --> G_7
e( 3 - 3) = 9.87447 eV 1 --> G_6
e( 4 - 4) = 10.75821 eV 1 --> G_8
e( 5 - 5) = 11.43079 eV 1 --> G_6
e( 6 - 6) = 11.50067 eV 1 --> G_8
e( 7 - 7) = 12.08714 eV 1 --> G_7
e( 8 - 8) = 13.34859 eV 1 --> G_5
e( 9 - 9) = 13.41972 eV 1 --> G_7
e( 10 - 10) = 14.21227 eV 1 --> G_8
e( 11 - 11) = 15.46701 eV 1 --> G_5
e( 12 - 12) = 16.80122 eV 1 --> G_6
e( 13 - 13) = 25.47325 eV 1 --> G_6
e( 14 - 14) = 25.63809 eV 1 --> G_8
e( 15 - 15) = 26.01563 eV 1 --> G_5
e( 16 - 16) = 26.17601 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.43857 eV 1 --> G_5
e( 2 - 2) = 8.62755 eV 1 --> G_7
e( 3 - 3) = 9.93133 eV 1 --> G_6
e( 4 - 4) = 10.61693 eV 1 --> G_8
e( 5 - 5) = 11.55243 eV 1 --> G_6
e( 6 - 6) = 11.62210 eV 1 --> G_8
e( 7 - 7) = 12.16412 eV 1 --> G_7
e( 8 - 8) = 13.48876 eV 1 --> G_5
e( 9 - 9) = 13.56015 eV 1 --> G_7
e( 10 - 10) = 14.29909 eV 1 --> G_8
e( 11 - 11) = 16.01504 eV 1 --> G_5
e( 12 - 12) = 17.21669 eV 1 --> G_6
e( 13 - 13) = 25.03179 eV 1 --> G_6
e( 14 - 14) = 25.19766 eV 1 --> G_8
e( 15 - 15) = 25.55367 eV 1 --> G_5
e( 16 - 16) = 25.71511 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.39005 eV 1 --> G_5
e( 2 - 2) = 8.51892 eV 1 --> G_7
e( 3 - 3) = 9.96036 eV 1 --> G_6
e( 4 - 4) = 10.48413 eV 1 --> G_8
e( 5 - 5) = 11.67659 eV 1 --> G_6
e( 6 - 6) = 11.74625 eV 1 --> G_8
e( 7 - 7) = 12.23701 eV 1 --> G_7
e( 8 - 8) = 13.63372 eV 1 --> G_5
e( 9 - 9) = 13.70540 eV 1 --> G_7
e( 10 - 10) = 14.38134 eV 1 --> G_8
e( 11 - 11) = 16.58828 eV 1 --> G_5
e( 12 - 12) = 17.67002 eV 1 --> G_6
e( 13 - 13) = 24.61161 eV 1 --> G_6
e( 14 - 14) = 24.77837 eV 1 --> G_8
e( 15 - 15) = 25.11058 eV 1 --> G_5
e( 16 - 16) = 25.27296 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.33334 eV 1 --> G_5
e( 2 - 2) = 8.41821 eV 1 --> G_7
e( 3 - 3) = 9.96713 eV 1 --> G_6
e( 4 - 4) = 10.36112 eV 1 --> G_8
e( 5 - 5) = 11.80218 eV 1 --> G_6
e( 6 - 6) = 11.87190 eV 1 --> G_8
e( 7 - 7) = 12.30542 eV 1 --> G_7
e( 8 - 8) = 13.78237 eV 1 --> G_5
e( 9 - 9) = 13.85430 eV 1 --> G_7
e( 10 - 10) = 14.45860 eV 1 --> G_8
e( 11 - 11) = 17.18237 eV 1 --> G_5
e( 12 - 12) = 18.15594 eV 1 --> G_6
e( 13 - 13) = 24.21477 eV 1 --> G_6
e( 14 - 14) = 24.38228 eV 1 --> G_8
e( 15 - 15) = 24.68856 eV 1 --> G_5
e( 16 - 16) = 24.85175 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.27194 eV 1 --> G_5
e( 2 - 2) = 8.32485 eV 1 --> G_7
e( 3 - 3) = 9.95684 eV 1 --> G_6
e( 4 - 4) = 10.24753 eV 1 --> G_8
e( 5 - 5) = 11.92654 eV 1 --> G_6
e( 6 - 6) = 11.99634 eV 1 --> G_8
e( 7 - 7) = 12.36869 eV 1 --> G_7
e( 8 - 8) = 13.93183 eV 1 --> G_5
e( 9 - 9) = 14.00396 eV 1 --> G_7
e( 10 - 10) = 14.53009 eV 1 --> G_8
e( 11 - 11) = 17.79249 eV 1 --> G_5
e( 12 - 12) = 18.66786 eV 1 --> G_6
e( 13 - 13) = 23.84353 eV 1 --> G_6
e( 14 - 14) = 24.01161 eV 1 --> G_8
e( 15 - 15) = 24.29010 eV 1 --> G_5
e( 16 - 16) = 24.45399 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.20898 eV 1 --> G_5
e( 2 - 2) = 8.23993 eV 1 --> G_7
e( 3 - 3) = 9.93440 eV 1 --> G_6
e( 4 - 4) = 10.14444 eV 1 --> G_8
e( 5 - 5) = 12.04799 eV 1 --> G_6
e( 6 - 6) = 12.11785 eV 1 --> G_8
e( 7 - 7) = 12.42593 eV 1 --> G_7
e( 8 - 8) = 14.08008 eV 1 --> G_5
e( 9 - 9) = 14.15233 eV 1 --> G_7
e( 10 - 10) = 14.59491 eV 1 --> G_8
e( 11 - 11) = 18.41324 eV 1 --> G_5
e( 12 - 12) = 19.19827 eV 1 --> G_6
e( 13 - 13) = 23.50037 eV 1 --> G_6
e( 14 - 14) = 23.66882 eV 1 --> G_8
e( 15 - 15) = 23.91804 eV 1 --> G_5
e( 16 - 16) = 24.08251 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.14743 eV 1 --> G_5
e( 2 - 2) = 8.16392 eV 1 --> G_7
e( 3 - 3) = 9.90455 eV 1 --> G_6
e( 4 - 4) = 10.05235 eV 1 --> G_8
e( 5 - 5) = 12.16429 eV 1 --> G_6
e( 6 - 6) = 12.23418 eV 1 --> G_8
e( 7 - 7) = 12.47789 eV 1 --> G_7
e( 8 - 8) = 14.22440 eV 1 --> G_5
e( 9 - 9) = 14.29667 eV 1 --> G_7
e( 10 - 10) = 14.65370 eV 1 --> G_8
e( 11 - 11) = 19.03816 eV 1 --> G_5
e( 12 - 12) = 19.73851 eV 1 --> G_6
e( 13 - 13) = 23.18805 eV 1 --> G_6
e( 14 - 14) = 23.35655 eV 1 --> G_8
e( 15 - 15) = 23.57570 eV 1 --> G_5
e( 16 - 16) = 23.74055 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.08997 eV 1 --> G_5
e( 2 - 2) = 8.09727 eV 1 --> G_7
e( 3 - 3) = 9.87145 eV 1 --> G_6
e( 4 - 4) = 9.97176 eV 1 --> G_8
e( 5 - 5) = 12.27339 eV 1 --> G_6
e( 6 - 6) = 12.34327 eV 1 --> G_8
e( 7 - 7) = 12.52369 eV 1 --> G_7
e( 8 - 8) = 14.36194 eV 1 --> G_5
e( 9 - 9) = 14.43413 eV 1 --> G_7
e( 10 - 10) = 14.70555 eV 1 --> G_8
e( 11 - 11) = 19.65889 eV 1 --> G_5
e( 12 - 12) = 20.27799 eV 1 --> G_6
e( 13 - 13) = 22.90956 eV 1 --> G_6
e( 14 - 14) = 23.07762 eV 1 --> G_8
e( 15 - 15) = 23.26677 eV 1 --> G_5
e( 16 - 16) = 23.43173 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 8.03774 eV 1 --> G_5
e( 2 - 2) = 8.04024 eV 1 --> G_7
e( 3 - 3) = 9.83780 eV 1 --> G_6
e( 4 - 4) = 9.90290 eV 1 --> G_8
e( 5 - 5) = 12.37161 eV 1 --> G_6
e( 6 - 6) = 12.44142 eV 1 --> G_8
e( 7 - 7) = 12.56295 eV 1 --> G_7
e( 8 - 8) = 14.48796 eV 1 --> G_5
e( 9 - 9) = 14.55999 eV 1 --> G_7
e( 10 - 10) = 14.75001 eV 1 --> G_8
e( 11 - 11) = 20.26358 eV 1 --> G_5
e( 12 - 12) = 20.80270 eV 1 --> G_6
e( 13 - 13) = 22.66829 eV 1 --> G_6
e( 14 - 14) = 22.83491 eV 1 --> G_8
e( 15 - 15) = 22.99544 eV 1 --> G_5
e( 16 - 16) = 23.15999 eV 1 --> G_7
**************************************************************************
**************************************************************************
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 - 2) = 7.99267 eV 2 --> G_5
e( 1 - 2) = 7.99267 eV 2 --> G_7
e( 3 - 3) = 9.80655 eV 1 --> G_6
e( 4 - 4) = 9.84578 eV 1 --> G_8
e( 5 - 5) = 12.45649 eV 1 --> G_6
e( 6 - 6) = 12.52622 eV 1 --> G_8
e( 7 - 7) = 12.59503 eV 1 --> G_7
e( 8 - 8) = 14.59869 eV 1 --> G_5
e( 9 - 9) = 14.67050 eV 1 --> G_7
e( 10 - 10) = 14.78637 eV 1 --> G_8
e( 11 - 11) = 20.83523 eV 1 --> G_5
e( 12 - 12) = 21.29374 eV 1 --> G_6
e( 13 - 13) = 22.46846 eV 1 --> G_6
e( 14 - 14) = 22.63132 eV 1 --> G_8
e( 15 - 15) = 22.76639 eV 1 --> G_5
e( 16 - 16) = 22.92953 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 7.95585 eV 1 --> G_7
e( 2 - 2) = 7.95637 eV 1 --> G_5
e( 3 - 3) = 9.78011 eV 1 --> G_6
e( 4 - 4) = 9.80139 eV 1 --> G_8
e( 5 - 5) = 12.52595 eV 1 --> G_6
e( 6 - 6) = 12.59559 eV 1 --> G_8
e( 7 - 7) = 12.62053 eV 1 --> G_7
e( 8 - 8) = 14.69061 eV 1 --> G_5
e( 9 - 9) = 14.76217 eV 1 --> G_7
e( 10 - 10) = 14.81527 eV 1 --> G_8
e( 11 - 11) = 21.34803 eV 1 --> G_5
e( 12 - 12) = 21.72198 eV 1 --> G_6
e( 13 - 13) = 22.31837 eV 1 --> G_6
e( 14 - 14) = 22.46958 eV 1 --> G_8
e( 15 - 15) = 22.58515 eV 1 --> G_5
e( 16 - 16) = 22.74462 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 7.92918 eV 1 --> G_7
e( 2 - 2) = 7.92964 eV 1 --> G_5
e( 3 - 3) = 9.75997 eV 1 --> G_6
e( 4 - 4) = 9.76933 eV 1 --> G_8
e( 5 - 5) = 12.57683 eV 1 --> G_6
e( 6 - 6) = 12.63880 eV 1 --> G_7
e( 7 - 7) = 12.64637 eV 1 --> G_8
e( 8 - 8) = 14.75900 eV 1 --> G_5
e( 9 - 9) = 14.83033 eV 1 --> G_7
e( 10 - 10) = 14.83598 eV 1 --> G_8
e( 11 - 11) = 21.76292 eV 1 --> G_5
e( 12 - 12) = 22.01539 eV 1 --> G_6
e( 13 - 13) = 22.26181 eV 1 --> G_6
e( 14 - 14) = 22.35211 eV 1 --> G_8
e( 15 - 15) = 22.45910 eV 1 --> G_5
e( 16 - 16) = 22.60915 eV 1 --> G_7
**************************************************************************
**************************************************************************
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) = 7.91305 eV 1 --> G_5
e( 2 - 2) = 7.91324 eV 1 --> G_7
e( 3 - 3) = 9.74722 eV 1 --> G_6
e( 4 - 4) = 9.75016 eV 1 --> G_8
e( 5 - 5) = 12.60829 eV 1 --> G_6
e( 6 - 6) = 12.64982 eV 1 --> G_7
e( 7 - 7) = 12.67778 eV 1 --> G_8
e( 8 - 8) = 14.80159 eV 1 --> G_5
e( 9 - 9) = 14.84847 eV 1 --> G_8
e( 10 - 10) = 14.87276 eV 1 --> G_7
e( 11 - 11) = 22.02561 eV 1 --> G_5
e( 12 - 12) = 22.05561 eV 1 --> G_6
e( 13 - 13) = 22.28081 eV 1 --> G_8
e( 14 - 14) = 22.38389 eV 1 --> G_6
e( 15 - 15) = 22.39955 eV 1 --> G_5
e( 16 - 16) = 22.52643 eV 1 --> G_7
**************************************************************************
**************************************************************************
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 C4^2 -C4^2 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 C4^2 -C4^2 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:
E 1
C4^2 2
C4^3 3
C4 4
i 5
s_h 6
S4 7
S4^3 8
-E -1
-C4^2 -2
-C4^3 -3
-C4 -4
-i -5
-s_h -6
-S4 -7
-S4^3 -8
Band symmetry, D_4h(4/mmm) [C_4h (4/m) ] magnetic double point group,
using C_4h (4/m)
e( 1 - 1) = 7.90757 eV 1 --> G_5+
e( 2 - 2) = 7.90792 eV 1 --> G_7+
e( 3 - 3) = 9.74298 eV 1 --> G_6+
e( 4 - 4) = 9.74377 eV 1 --> G_8+
e( 5 - 5) = 12.61899 eV 1 --> G_6+
e( 6 - 6) = 12.65352 eV 1 --> G_7+
e( 7 - 7) = 12.68845 eV 1 --> G_8+
e( 8 - 8) = 14.81611 eV 1 --> G_5+
e( 9 - 9) = 14.85265 eV 1 --> G_8+
e( 10 - 10) = 14.88722 eV 1 --> G_7+
e( 11 - 11) = 22.04401 eV 1 --> G_6-
e( 12 - 12) = 22.10528 eV 1 --> G_5-
e( 13 - 13) = 22.25691 eV 1 --> G_8-
e( 14 - 14) = 22.39403 eV 1 --> G_5-
e( 15 - 15) = 22.45368 eV 1 --> G_6-
e( 16 - 16) = 22.49861 eV 1 --> G_7-
**************************************************************************
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