Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:16: 7
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 48 processors
R & G space division: proc/nbgrp/npool/nimage = 48
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./Ge2N2O.save/
Subspace diagonalization in iterative solution of the eigenvalue problem:
a serial algorithm will be used
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 51 29 8 1879 821 128
Max 52 30 9 1883 842 131
Sum 2453 1429 413 90311 39941 6215
bravais-lattice index = 14
lattice parameter (alat) = 10.3226 a.u.
unit-cell volume = 916.3336 (a.u.)^3
number of atoms/cell = 10
number of atomic types = 3
number of electrons = 48.00
number of Kohn-Sham states= 58
kinetic-energy cutoff = 47.0000 Ry
charge density cutoff = 324.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 10.322580 celldm(2)= 1.000000 celldm(3)= 0.932178
celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.448673
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( -0.448673 0.893696 0.000000 )
a(3) = ( 0.000000 0.000000 0.932178 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 0.502042 -0.000000 )
b(2) = ( 0.000000 1.118949 -0.000000 )
b(3) = ( 0.000000 0.000000 1.072756 )
PseudoPot. # 1 for Ge read from file:
/home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78
Pseudo is Ultrasoft + core correction, Zval = 4.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1207 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
PseudoPot. # 2 for O read from file:
/home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: e551570ea340e0688630c94d366e26e3
Pseudo is Ultrasoft + core correction, Zval = 6.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1095 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
PseudoPot. # 3 for N read from file:
/home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: e87e56825df8daeb07642eb4d268bcfd
Pseudo is Ultrasoft + core correction, Zval = 5.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1085 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
Ge 4.00 72.64000 Ge( 1.00)
O 6.00 15.99940 O( 1.00)
N 5.00 14.00670 N( 1.00)
2 Sym. Ops. (no inversion) found ( 1 have fractional translation)
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 deg rotation - cart. axis [0,0,1]
cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 )
( 0 -1 0 ) ( 0.0000000 )
( 0 0 1 ) ( -0.5000000 )
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 )
( 0.0000000 0.0000000 1.0000000 ) ( -0.4660892 )
double point group C_2 (2)
there are 4 classes and 2 irreducible representations
the character table:
E -E C2 -C2
G_3 1.00 -1.00 0.00 0.00
G_4 1.00 -1.00 0.00 0.00
imaginary part
E -E C2 -C2
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
C2 2
-E -1
-C2 -2
Cartesian axes
number of k points= 354 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249
k( 2) = ( 0.0090827 0.0147230 -0.0000000), wk = 0.0028249
k( 3) = ( 0.0181654 0.0294460 -0.0000000), wk = 0.0028249
k( 4) = ( 0.0272482 0.0441690 -0.0000000), wk = 0.0028249
k( 5) = ( 0.0363309 0.0588920 -0.0000000), wk = 0.0028249
k( 6) = ( 0.0454136 0.0736150 -0.0000000), wk = 0.0028249
k( 7) = ( 0.0544963 0.0883381 -0.0000000), wk = 0.0028249
k( 8) = ( 0.0635791 0.1030611 -0.0000000), wk = 0.0028249
k( 9) = ( 0.0726618 0.1177841 -0.0000000), wk = 0.0028249
k( 10) = ( 0.0817445 0.1325071 -0.0000000), wk = 0.0028249
k( 11) = ( 0.0908272 0.1472301 -0.0000000), wk = 0.0028249
k( 12) = ( 0.0999100 0.1619531 -0.0000000), wk = 0.0028249
k( 13) = ( 0.1089927 0.1766761 -0.0000000), wk = 0.0028249
k( 14) = ( 0.1180754 0.1913991 -0.0000000), wk = 0.0028249
k( 15) = ( 0.1271581 0.2061221 -0.0000000), wk = 0.0028249
k( 16) = ( 0.1362409 0.2208451 -0.0000000), wk = 0.0028249
k( 17) = ( 0.1453236 0.2355681 -0.0000000), wk = 0.0028249
k( 18) = ( 0.1544063 0.2502911 -0.0000000), wk = 0.0028249
k( 19) = ( 0.1634890 0.2650141 -0.0000000), wk = 0.0028249
k( 20) = ( 0.1725718 0.2797371 -0.0000000), wk = 0.0028249
k( 21) = ( 0.1816545 0.2944601 -0.0000000), wk = 0.0028249
k( 22) = ( 0.1907372 0.3091832 -0.0000000), wk = 0.0028249
k( 23) = ( 0.1998199 0.3239062 -0.0000000), wk = 0.0028249
k( 24) = ( 0.2089027 0.3386292 -0.0000000), wk = 0.0028249
k( 25) = ( 0.2179854 0.3533522 -0.0000000), wk = 0.0028249
k( 26) = ( 0.2270681 0.3680752 -0.0000000), wk = 0.0028249
k( 27) = ( 0.2361508 0.3827982 -0.0000000), wk = 0.0028249
k( 28) = ( 0.2452335 0.3975212 -0.0000000), wk = 0.0028249
k( 29) = ( 0.2543163 0.4122442 -0.0000000), wk = 0.0028249
k( 30) = ( 0.2633990 0.4269672 -0.0000000), wk = 0.0028249
k( 31) = ( 0.2724817 0.4416902 -0.0000000), wk = 0.0028249
k( 32) = ( 0.2815645 0.4564132 -0.0000000), wk = 0.0028249
k( 33) = ( 0.2906472 0.4711362 -0.0000000), wk = 0.0028249
k( 34) = ( 0.2997299 0.4858592 -0.0000000), wk = 0.0028249
k( 35) = ( 0.3088126 0.5005822 -0.0000000), wk = 0.0028249
k( 36) = ( 0.3178954 0.5153053 -0.0000000), wk = 0.0028249
k( 37) = ( 0.3269781 0.5300283 -0.0000000), wk = 0.0028249
k( 38) = ( 0.3360608 0.5447513 -0.0000000), wk = 0.0028249
k( 39) = ( 0.3451435 0.5594743 -0.0000000), wk = 0.0028249
k( 40) = ( 0.3451435 0.5594743 -0.0000000), wk = 0.0028249
k( 41) = ( 0.3278863 0.5594743 -0.0000000), wk = 0.0028249
k( 42) = ( 0.3106292 0.5594743 -0.0000000), wk = 0.0028249
k( 43) = ( 0.2933720 0.5594743 -0.0000000), wk = 0.0028249
k( 44) = ( 0.2761148 0.5594743 -0.0000000), wk = 0.0028249
k( 45) = ( 0.2588576 0.5594743 -0.0000000), wk = 0.0028249
k( 46) = ( 0.2416005 0.5594743 -0.0000000), wk = 0.0028249
k( 47) = ( 0.2243433 0.5594743 -0.0000000), wk = 0.0028249
k( 48) = ( 0.2070861 0.5594743 -0.0000000), wk = 0.0028249
k( 49) = ( 0.1898289 0.5594743 -0.0000000), wk = 0.0028249
k( 50) = ( 0.1725718 0.5594743 -0.0000000), wk = 0.0028249
k( 51) = ( 0.1553146 0.5594743 -0.0000000), wk = 0.0028249
k( 52) = ( 0.1380574 0.5594743 -0.0000000), wk = 0.0028249
k( 53) = ( 0.1208002 0.5594743 -0.0000000), wk = 0.0028249
k( 54) = ( 0.1035431 0.5594743 -0.0000000), wk = 0.0028249
k( 55) = ( 0.0862859 0.5594743 -0.0000000), wk = 0.0028249
k( 56) = ( 0.0690287 0.5594743 -0.0000000), wk = 0.0028249
k( 57) = ( 0.0517715 0.5594743 -0.0000000), wk = 0.0028249
k( 58) = ( 0.0345143 0.5594743 -0.0000000), wk = 0.0028249
k( 59) = ( 0.0172572 0.5594743 -0.0000000), wk = 0.0028249
k( 60) = ( 0.0000000 0.5594743 -0.0000000), wk = 0.0028249
k( 61) = ( 0.0000000 0.5594743 -0.0000000), wk = 0.0028249
k( 62) = ( 0.0000000 0.5594743 0.0173025), wk = 0.0028249
k( 63) = ( 0.0000000 0.5594743 0.0346050), wk = 0.0028249
k( 64) = ( 0.0000000 0.5594743 0.0519076), wk = 0.0028249
k( 65) = ( 0.0000000 0.5594743 0.0692101), wk = 0.0028249
k( 66) = ( 0.0000000 0.5594743 0.0865126), wk = 0.0028249
k( 67) = ( 0.0000000 0.5594743 0.1038151), wk = 0.0028249
k( 68) = ( 0.0000000 0.5594743 0.1211176), wk = 0.0028249
k( 69) = ( 0.0000000 0.5594743 0.1384201), wk = 0.0028249
k( 70) = ( 0.0000000 0.5594743 0.1557227), wk = 0.0028249
k( 71) = ( 0.0000000 0.5594743 0.1730252), wk = 0.0028249
k( 72) = ( 0.0000000 0.5594743 0.1903277), wk = 0.0028249
k( 73) = ( 0.0000000 0.5594743 0.2076302), wk = 0.0028249
k( 74) = ( 0.0000000 0.5594743 0.2249327), wk = 0.0028249
k( 75) = ( 0.0000000 0.5594743 0.2422353), wk = 0.0028249
k( 76) = ( 0.0000000 0.5594743 0.2595378), wk = 0.0028249
k( 77) = ( 0.0000000 0.5594743 0.2768403), wk = 0.0028249
k( 78) = ( 0.0000000 0.5594743 0.2941428), wk = 0.0028249
k( 79) = ( 0.0000000 0.5594743 0.3114453), wk = 0.0028249
k( 80) = ( 0.0000000 0.5594743 0.3287478), wk = 0.0028249
k( 81) = ( 0.0000000 0.5594743 0.3460504), wk = 0.0028249
k( 82) = ( 0.0000000 0.5594743 0.3633529), wk = 0.0028249
k( 83) = ( 0.0000000 0.5594743 0.3806554), wk = 0.0028249
k( 84) = ( 0.0000000 0.5594743 0.3979579), wk = 0.0028249
k( 85) = ( 0.0000000 0.5594743 0.4152604), wk = 0.0028249
k( 86) = ( 0.0000000 0.5594743 0.4325630), wk = 0.0028249
k( 87) = ( 0.0000000 0.5594743 0.4498655), wk = 0.0028249
k( 88) = ( 0.0000000 0.5594743 0.4671680), wk = 0.0028249
k( 89) = ( 0.0000000 0.5594743 0.4844705), wk = 0.0028249
k( 90) = ( 0.0000000 0.5594743 0.5017730), wk = 0.0028249
k( 91) = ( 0.0000000 0.5594743 0.5190756), wk = 0.0028249
k( 92) = ( 0.0000000 0.5594743 0.5363781), wk = 0.0028249
k( 93) = ( 0.0000000 0.5594743 0.5363781), wk = 0.0028249
k( 94) = ( 0.0172572 0.5594743 0.5363781), wk = 0.0028249
k( 95) = ( 0.0345143 0.5594743 0.5363781), wk = 0.0028249
k( 96) = ( 0.0517715 0.5594743 0.5363781), wk = 0.0028249
k( 97) = ( 0.0690287 0.5594743 0.5363781), wk = 0.0028249
k( 98) = ( 0.0862859 0.5594743 0.5363781), wk = 0.0028249
k( 99) = ( 0.1035431 0.5594743 0.5363781), wk = 0.0028249
k( 100) = ( 0.1208002 0.5594743 0.5363781), wk = 0.0028249
k( 101) = ( 0.1380574 0.5594743 0.5363781), wk = 0.0028249
k( 102) = ( 0.1553146 0.5594743 0.5363781), wk = 0.0028249
k( 103) = ( 0.1725718 0.5594743 0.5363781), wk = 0.0028249
k( 104) = ( 0.1898289 0.5594743 0.5363781), wk = 0.0028249
k( 105) = ( 0.2070861 0.5594743 0.5363781), wk = 0.0028249
k( 106) = ( 0.2243433 0.5594743 0.5363781), wk = 0.0028249
k( 107) = ( 0.2416005 0.5594743 0.5363781), wk = 0.0028249
k( 108) = ( 0.2588576 0.5594743 0.5363781), wk = 0.0028249
k( 109) = ( 0.2761148 0.5594743 0.5363781), wk = 0.0028249
k( 110) = ( 0.2933720 0.5594743 0.5363781), wk = 0.0028249
k( 111) = ( 0.3106292 0.5594743 0.5363781), wk = 0.0028249
k( 112) = ( 0.3278863 0.5594743 0.5363781), wk = 0.0028249
k( 113) = ( 0.3451435 0.5594743 0.5363781), wk = 0.0028249
k( 114) = ( 0.3451435 0.5594743 0.5363781), wk = 0.0028249
k( 115) = ( 0.3360608 0.5447513 0.5363781), wk = 0.0028249
k( 116) = ( 0.3269781 0.5300283 0.5363781), wk = 0.0028249
k( 117) = ( 0.3178954 0.5153053 0.5363781), wk = 0.0028249
k( 118) = ( 0.3088126 0.5005822 0.5363781), wk = 0.0028249
k( 119) = ( 0.2997299 0.4858592 0.5363781), wk = 0.0028249
k( 120) = ( 0.2906472 0.4711362 0.5363781), wk = 0.0028249
k( 121) = ( 0.2815645 0.4564132 0.5363781), wk = 0.0028249
k( 122) = ( 0.2724817 0.4416902 0.5363781), wk = 0.0028249
k( 123) = ( 0.2633990 0.4269672 0.5363781), wk = 0.0028249
k( 124) = ( 0.2543163 0.4122442 0.5363781), wk = 0.0028249
k( 125) = ( 0.2452335 0.3975212 0.5363781), wk = 0.0028249
k( 126) = ( 0.2361508 0.3827982 0.5363781), wk = 0.0028249
k( 127) = ( 0.2270681 0.3680752 0.5363781), wk = 0.0028249
k( 128) = ( 0.2179854 0.3533522 0.5363781), wk = 0.0028249
k( 129) = ( 0.2089027 0.3386292 0.5363781), wk = 0.0028249
k( 130) = ( 0.1998199 0.3239062 0.5363781), wk = 0.0028249
k( 131) = ( 0.1907372 0.3091832 0.5363781), wk = 0.0028249
k( 132) = ( 0.1816545 0.2944601 0.5363781), wk = 0.0028249
k( 133) = ( 0.1725718 0.2797371 0.5363781), wk = 0.0028249
k( 134) = ( 0.1634890 0.2650141 0.5363781), wk = 0.0028249
k( 135) = ( 0.1544063 0.2502911 0.5363781), wk = 0.0028249
k( 136) = ( 0.1453236 0.2355681 0.5363781), wk = 0.0028249
k( 137) = ( 0.1362409 0.2208451 0.5363781), wk = 0.0028249
k( 138) = ( 0.1271581 0.2061221 0.5363781), wk = 0.0028249
k( 139) = ( 0.1180754 0.1913991 0.5363781), wk = 0.0028249
k( 140) = ( 0.1089927 0.1766761 0.5363781), wk = 0.0028249
k( 141) = ( 0.0999100 0.1619531 0.5363781), wk = 0.0028249
k( 142) = ( 0.0908272 0.1472301 0.5363781), wk = 0.0028249
k( 143) = ( 0.0817445 0.1325071 0.5363781), wk = 0.0028249
k( 144) = ( 0.0726618 0.1177841 0.5363781), wk = 0.0028249
k( 145) = ( 0.0635791 0.1030611 0.5363781), wk = 0.0028249
k( 146) = ( 0.0544963 0.0883381 0.5363781), wk = 0.0028249
k( 147) = ( 0.0454136 0.0736150 0.5363781), wk = 0.0028249
k( 148) = ( 0.0363309 0.0588920 0.5363781), wk = 0.0028249
k( 149) = ( 0.0272482 0.0441690 0.5363781), wk = 0.0028249
k( 150) = ( 0.0181654 0.0294460 0.5363781), wk = 0.0028249
k( 151) = ( 0.0090827 0.0147230 0.5363781), wk = 0.0028249
k( 152) = ( 0.0000000 0.0000000 0.5363781), wk = 0.0028249
k( 153) = ( 0.0000000 0.0000000 0.5363781), wk = 0.0028249
k( 154) = ( 0.0000000 0.0000000 0.5190756), wk = 0.0028249
k( 155) = ( 0.0000000 0.0000000 0.5017730), wk = 0.0028249
k( 156) = ( 0.0000000 0.0000000 0.4844705), wk = 0.0028249
k( 157) = ( 0.0000000 0.0000000 0.4671680), wk = 0.0028249
k( 158) = ( 0.0000000 0.0000000 0.4498655), wk = 0.0028249
k( 159) = ( 0.0000000 0.0000000 0.4325630), wk = 0.0028249
k( 160) = ( 0.0000000 0.0000000 0.4152604), wk = 0.0028249
k( 161) = ( 0.0000000 0.0000000 0.3979579), wk = 0.0028249
k( 162) = ( 0.0000000 0.0000000 0.3806554), wk = 0.0028249
k( 163) = ( 0.0000000 0.0000000 0.3633529), wk = 0.0028249
k( 164) = ( 0.0000000 0.0000000 0.3460504), wk = 0.0028249
k( 165) = ( 0.0000000 0.0000000 0.3287478), wk = 0.0028249
k( 166) = ( 0.0000000 0.0000000 0.3114453), wk = 0.0028249
k( 167) = ( 0.0000000 0.0000000 0.2941428), wk = 0.0028249
k( 168) = ( 0.0000000 0.0000000 0.2768403), wk = 0.0028249
k( 169) = ( 0.0000000 0.0000000 0.2595378), wk = 0.0028249
k( 170) = ( 0.0000000 0.0000000 0.2422353), wk = 0.0028249
k( 171) = ( 0.0000000 0.0000000 0.2249327), wk = 0.0028249
k( 172) = ( 0.0000000 0.0000000 0.2076302), wk = 0.0028249
k( 173) = ( 0.0000000 0.0000000 0.1903277), wk = 0.0028249
k( 174) = ( 0.0000000 0.0000000 0.1730252), wk = 0.0028249
k( 175) = ( 0.0000000 0.0000000 0.1557227), wk = 0.0028249
k( 176) = ( 0.0000000 0.0000000 0.1384201), wk = 0.0028249
k( 177) = ( 0.0000000 0.0000000 0.1211176), wk = 0.0028249
k( 178) = ( 0.0000000 0.0000000 0.1038151), wk = 0.0028249
k( 179) = ( 0.0000000 0.0000000 0.0865126), wk = 0.0028249
k( 180) = ( 0.0000000 0.0000000 0.0692101), wk = 0.0028249
k( 181) = ( 0.0000000 0.0000000 0.0519076), wk = 0.0028249
k( 182) = ( 0.0000000 0.0000000 0.0346050), wk = 0.0028249
k( 183) = ( 0.0000000 0.0000000 0.0173025), wk = 0.0028249
k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249
k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249
k( 186) = ( -0.0147059 0.0090722 0.0000000), wk = 0.0028249
k( 187) = ( -0.0294118 0.0181443 0.0000000), wk = 0.0028249
k( 188) = ( -0.0441177 0.0272165 0.0000000), wk = 0.0028249
k( 189) = ( -0.0588235 0.0362886 0.0000000), wk = 0.0028249
k( 190) = ( -0.0735294 0.0453608 0.0000000), wk = 0.0028249
k( 191) = ( -0.0882353 0.0544330 0.0000000), wk = 0.0028249
k( 192) = ( -0.1029412 0.0635051 0.0000000), wk = 0.0028249
k( 193) = ( -0.1176471 0.0725773 0.0000000), wk = 0.0028249
k( 194) = ( -0.1323529 0.0816494 0.0000000), wk = 0.0028249
k( 195) = ( -0.1470588 0.0907216 0.0000000), wk = 0.0028249
k( 196) = ( -0.1617647 0.0997938 0.0000000), wk = 0.0028249
k( 197) = ( -0.1764706 0.1088659 0.0000000), wk = 0.0028249
k( 198) = ( -0.1911765 0.1179381 0.0000000), wk = 0.0028249
k( 199) = ( -0.2058823 0.1270102 0.0000000), wk = 0.0028249
k( 200) = ( -0.2205882 0.1360824 0.0000000), wk = 0.0028249
k( 201) = ( -0.2352941 0.1451546 0.0000000), wk = 0.0028249
k( 202) = ( -0.2500000 0.1542267 0.0000000), wk = 0.0028249
k( 203) = ( -0.2647059 0.1632989 0.0000000), wk = 0.0028249
k( 204) = ( -0.2794118 0.1723710 0.0000000), wk = 0.0028249
k( 205) = ( -0.2941177 0.1814432 0.0000000), wk = 0.0028249
k( 206) = ( -0.3088235 0.1905154 0.0000000), wk = 0.0028249
k( 207) = ( -0.3235294 0.1995875 0.0000000), wk = 0.0028249
k( 208) = ( -0.3382353 0.2086597 0.0000000), wk = 0.0028249
k( 209) = ( -0.3529412 0.2177318 0.0000000), wk = 0.0028249
k( 210) = ( -0.3676471 0.2268040 0.0000000), wk = 0.0028249
k( 211) = ( -0.3823529 0.2358762 0.0000000), wk = 0.0028249
k( 212) = ( -0.3970588 0.2449483 0.0000000), wk = 0.0028249
k( 213) = ( -0.4117647 0.2540205 0.0000000), wk = 0.0028249
k( 214) = ( -0.4264706 0.2630926 0.0000000), wk = 0.0028249
k( 215) = ( -0.4411765 0.2721648 0.0000000), wk = 0.0028249
k( 216) = ( -0.4558823 0.2812369 0.0000000), wk = 0.0028249
k( 217) = ( -0.4705882 0.2903091 0.0000000), wk = 0.0028249
k( 218) = ( -0.4852941 0.2993813 0.0000000), wk = 0.0028249
k( 219) = ( -0.5000000 0.3084534 0.0000000), wk = 0.0028249
k( 220) = ( -0.5000000 0.3084534 0.0000000), wk = 0.0028249
k( 221) = ( -0.4908908 0.3232194 -0.0000000), wk = 0.0028249
k( 222) = ( -0.4817816 0.3379853 -0.0000000), wk = 0.0028249
k( 223) = ( -0.4726724 0.3527512 -0.0000000), wk = 0.0028249
k( 224) = ( -0.4635632 0.3675172 -0.0000000), wk = 0.0028249
k( 225) = ( -0.4544540 0.3822831 -0.0000000), wk = 0.0028249
k( 226) = ( -0.4453448 0.3970490 -0.0000000), wk = 0.0028249
k( 227) = ( -0.4362356 0.4118149 -0.0000000), wk = 0.0028249
k( 228) = ( -0.4271264 0.4265809 -0.0000000), wk = 0.0028249
k( 229) = ( -0.4180172 0.4413468 -0.0000000), wk = 0.0028249
k( 230) = ( -0.4089080 0.4561128 -0.0000000), wk = 0.0028249
k( 231) = ( -0.3997987 0.4708787 -0.0000000), wk = 0.0028249
k( 232) = ( -0.3906895 0.4856446 -0.0000000), wk = 0.0028249
k( 233) = ( -0.3815803 0.5004105 -0.0000000), wk = 0.0028249
k( 234) = ( -0.3724711 0.5151765 -0.0000000), wk = 0.0028249
k( 235) = ( -0.3633619 0.5299424 -0.0000000), wk = 0.0028249
k( 236) = ( -0.3542527 0.5447083 -0.0000000), wk = 0.0028249
k( 237) = ( -0.3451435 0.5594743 -0.0000000), wk = 0.0028249
k( 238) = ( -0.3451435 0.5594743 -0.0000000), wk = 0.0028249
k( 239) = ( -0.3451435 0.5594743 0.0173025), wk = 0.0028249
k( 240) = ( -0.3451435 0.5594743 0.0346050), wk = 0.0028249
k( 241) = ( -0.3451435 0.5594743 0.0519076), wk = 0.0028249
k( 242) = ( -0.3451435 0.5594743 0.0692101), wk = 0.0028249
k( 243) = ( -0.3451435 0.5594743 0.0865126), wk = 0.0028249
k( 244) = ( -0.3451435 0.5594743 0.1038151), wk = 0.0028249
k( 245) = ( -0.3451435 0.5594743 0.1211176), wk = 0.0028249
k( 246) = ( -0.3451435 0.5594743 0.1384201), wk = 0.0028249
k( 247) = ( -0.3451435 0.5594743 0.1557227), wk = 0.0028249
k( 248) = ( -0.3451435 0.5594743 0.1730252), wk = 0.0028249
k( 249) = ( -0.3451435 0.5594743 0.1903277), wk = 0.0028249
k( 250) = ( -0.3451435 0.5594743 0.2076302), wk = 0.0028249
k( 251) = ( -0.3451435 0.5594743 0.2249327), wk = 0.0028249
k( 252) = ( -0.3451435 0.5594743 0.2422353), wk = 0.0028249
k( 253) = ( -0.3451435 0.5594743 0.2595378), wk = 0.0028249
k( 254) = ( -0.3451435 0.5594743 0.2768403), wk = 0.0028249
k( 255) = ( -0.3451435 0.5594743 0.2941428), wk = 0.0028249
k( 256) = ( -0.3451435 0.5594743 0.3114453), wk = 0.0028249
k( 257) = ( -0.3451435 0.5594743 0.3287478), wk = 0.0028249
k( 258) = ( -0.3451435 0.5594743 0.3460504), wk = 0.0028249
k( 259) = ( -0.3451435 0.5594743 0.3633529), wk = 0.0028249
k( 260) = ( -0.3451435 0.5594743 0.3806554), wk = 0.0028249
k( 261) = ( -0.3451435 0.5594743 0.3979579), wk = 0.0028249
k( 262) = ( -0.3451435 0.5594743 0.4152604), wk = 0.0028249
k( 263) = ( -0.3451435 0.5594743 0.4325630), wk = 0.0028249
k( 264) = ( -0.3451435 0.5594743 0.4498655), wk = 0.0028249
k( 265) = ( -0.3451435 0.5594743 0.4671680), wk = 0.0028249
k( 266) = ( -0.3451435 0.5594743 0.4844705), wk = 0.0028249
k( 267) = ( -0.3451435 0.5594743 0.5017730), wk = 0.0028249
k( 268) = ( -0.3451435 0.5594743 0.5190756), wk = 0.0028249
k( 269) = ( -0.3451435 0.5594743 0.5363781), wk = 0.0028249
k( 270) = ( -0.3451435 0.5594743 0.5363781), wk = 0.0028249
k( 271) = ( -0.3542527 0.5447083 0.5363781), wk = 0.0028249
k( 272) = ( -0.3633619 0.5299424 0.5363781), wk = 0.0028249
k( 273) = ( -0.3724711 0.5151765 0.5363781), wk = 0.0028249
k( 274) = ( -0.3815803 0.5004105 0.5363781), wk = 0.0028249
k( 275) = ( -0.3906895 0.4856446 0.5363781), wk = 0.0028249
k( 276) = ( -0.3997987 0.4708787 0.5363781), wk = 0.0028249
k( 277) = ( -0.4089080 0.4561128 0.5363781), wk = 0.0028249
k( 278) = ( -0.4180172 0.4413468 0.5363781), wk = 0.0028249
k( 279) = ( -0.4271264 0.4265809 0.5363781), wk = 0.0028249
k( 280) = ( -0.4362356 0.4118149 0.5363781), wk = 0.0028249
k( 281) = ( -0.4453448 0.3970490 0.5363781), wk = 0.0028249
k( 282) = ( -0.4544540 0.3822831 0.5363781), wk = 0.0028249
k( 283) = ( -0.4635632 0.3675172 0.5363781), wk = 0.0028249
k( 284) = ( -0.4726724 0.3527512 0.5363781), wk = 0.0028249
k( 285) = ( -0.4817816 0.3379853 0.5363781), wk = 0.0028249
k( 286) = ( -0.4908908 0.3232194 0.5363781), wk = 0.0028249
k( 287) = ( -0.5000000 0.3084534 0.5363781), wk = 0.0028249
k( 288) = ( -0.5000000 0.3084534 0.5363781), wk = 0.0028249
k( 289) = ( -0.5000000 0.3084534 0.5190756), wk = 0.0028249
k( 290) = ( -0.5000000 0.3084534 0.5017730), wk = 0.0028249
k( 291) = ( -0.5000000 0.3084534 0.4844705), wk = 0.0028249
k( 292) = ( -0.5000000 0.3084534 0.4671680), wk = 0.0028249
k( 293) = ( -0.5000000 0.3084534 0.4498655), wk = 0.0028249
k( 294) = ( -0.5000000 0.3084534 0.4325630), wk = 0.0028249
k( 295) = ( -0.5000000 0.3084534 0.4152604), wk = 0.0028249
k( 296) = ( -0.5000000 0.3084534 0.3979579), wk = 0.0028249
k( 297) = ( -0.5000000 0.3084534 0.3806554), wk = 0.0028249
k( 298) = ( -0.5000000 0.3084534 0.3633529), wk = 0.0028249
k( 299) = ( -0.5000000 0.3084534 0.3460504), wk = 0.0028249
k( 300) = ( -0.5000000 0.3084534 0.3287478), wk = 0.0028249
k( 301) = ( -0.5000000 0.3084534 0.3114453), wk = 0.0028249
k( 302) = ( -0.5000000 0.3084534 0.2941428), wk = 0.0028249
k( 303) = ( -0.5000000 0.3084534 0.2768403), wk = 0.0028249
k( 304) = ( -0.5000000 0.3084534 0.2595378), wk = 0.0028249
k( 305) = ( -0.5000000 0.3084534 0.2422353), wk = 0.0028249
k( 306) = ( -0.5000000 0.3084534 0.2249327), wk = 0.0028249
k( 307) = ( -0.5000000 0.3084534 0.2076302), wk = 0.0028249
k( 308) = ( -0.5000000 0.3084534 0.1903277), wk = 0.0028249
k( 309) = ( -0.5000000 0.3084534 0.1730252), wk = 0.0028249
k( 310) = ( -0.5000000 0.3084534 0.1557227), wk = 0.0028249
k( 311) = ( -0.5000000 0.3084534 0.1384201), wk = 0.0028249
k( 312) = ( -0.5000000 0.3084534 0.1211176), wk = 0.0028249
k( 313) = ( -0.5000000 0.3084534 0.1038151), wk = 0.0028249
k( 314) = ( -0.5000000 0.3084534 0.0865126), wk = 0.0028249
k( 315) = ( -0.5000000 0.3084534 0.0692101), wk = 0.0028249
k( 316) = ( -0.5000000 0.3084534 0.0519076), wk = 0.0028249
k( 317) = ( -0.5000000 0.3084534 0.0346050), wk = 0.0028249
k( 318) = ( -0.5000000 0.3084534 0.0173025), wk = 0.0028249
k( 319) = ( -0.5000000 0.3084534 0.0000000), wk = 0.0028249
k( 320) = ( 0.0000000 0.0000000 0.5363781), wk = 0.0028249
k( 321) = ( -0.0147059 0.0090722 0.5363781), wk = 0.0028249
k( 322) = ( -0.0294118 0.0181443 0.5363781), wk = 0.0028249
k( 323) = ( -0.0441177 0.0272165 0.5363781), wk = 0.0028249
k( 324) = ( -0.0588235 0.0362886 0.5363781), wk = 0.0028249
k( 325) = ( -0.0735294 0.0453608 0.5363781), wk = 0.0028249
k( 326) = ( -0.0882353 0.0544330 0.5363781), wk = 0.0028249
k( 327) = ( -0.1029412 0.0635051 0.5363781), wk = 0.0028249
k( 328) = ( -0.1176471 0.0725773 0.5363781), wk = 0.0028249
k( 329) = ( -0.1323529 0.0816494 0.5363781), wk = 0.0028249
k( 330) = ( -0.1470588 0.0907216 0.5363781), wk = 0.0028249
k( 331) = ( -0.1617647 0.0997938 0.5363781), wk = 0.0028249
k( 332) = ( -0.1764706 0.1088659 0.5363781), wk = 0.0028249
k( 333) = ( -0.1911765 0.1179381 0.5363781), wk = 0.0028249
k( 334) = ( -0.2058823 0.1270102 0.5363781), wk = 0.0028249
k( 335) = ( -0.2205882 0.1360824 0.5363781), wk = 0.0028249
k( 336) = ( -0.2352941 0.1451546 0.5363781), wk = 0.0028249
k( 337) = ( -0.2500000 0.1542267 0.5363781), wk = 0.0028249
k( 338) = ( -0.2647059 0.1632989 0.5363781), wk = 0.0028249
k( 339) = ( -0.2794118 0.1723710 0.5363781), wk = 0.0028249
k( 340) = ( -0.2941177 0.1814432 0.5363781), wk = 0.0028249
k( 341) = ( -0.3088235 0.1905154 0.5363781), wk = 0.0028249
k( 342) = ( -0.3235294 0.1995875 0.5363781), wk = 0.0028249
k( 343) = ( -0.3382353 0.2086597 0.5363781), wk = 0.0028249
k( 344) = ( -0.3529412 0.2177318 0.5363781), wk = 0.0028249
k( 345) = ( -0.3676471 0.2268040 0.5363781), wk = 0.0028249
k( 346) = ( -0.3823529 0.2358762 0.5363781), wk = 0.0028249
k( 347) = ( -0.3970588 0.2449483 0.5363781), wk = 0.0028249
k( 348) = ( -0.4117647 0.2540205 0.5363781), wk = 0.0028249
k( 349) = ( -0.4264706 0.2630926 0.5363781), wk = 0.0028249
k( 350) = ( -0.4411765 0.2721648 0.5363781), wk = 0.0028249
k( 351) = ( -0.4558823 0.2812369 0.5363781), wk = 0.0028249
k( 352) = ( -0.4705882 0.2903091 0.5363781), wk = 0.0028249
k( 353) = ( -0.4852941 0.2993813 0.5363781), wk = 0.0028249
k( 354) = ( -0.5000000 0.3084534 0.5363781), wk = 0.0028249
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249
k( 2) = ( 0.0090827 0.0090827 0.0000000), wk = 0.0028249
k( 3) = ( 0.0181654 0.0181654 0.0000000), wk = 0.0028249
k( 4) = ( 0.0272482 0.0272482 -0.0000000), wk = 0.0028249
k( 5) = ( 0.0363309 0.0363309 0.0000000), wk = 0.0028249
k( 6) = ( 0.0454136 0.0454136 0.0000000), wk = 0.0028249
k( 7) = ( 0.0544963 0.0544963 0.0000000), wk = 0.0028249
k( 8) = ( 0.0635791 0.0635791 0.0000000), wk = 0.0028249
k( 9) = ( 0.0726618 0.0726618 0.0000000), wk = 0.0028249
k( 10) = ( 0.0817445 0.0817445 -0.0000000), wk = 0.0028249
k( 11) = ( 0.0908272 0.0908272 0.0000000), wk = 0.0028249
k( 12) = ( 0.0999100 0.0999100 0.0000000), wk = 0.0028249
k( 13) = ( 0.1089927 0.1089927 0.0000000), wk = 0.0028249
k( 14) = ( 0.1180754 0.1180754 0.0000000), wk = 0.0028249
k( 15) = ( 0.1271581 0.1271581 0.0000000), wk = 0.0028249
k( 16) = ( 0.1362409 0.1362409 0.0000000), wk = 0.0028249
k( 17) = ( 0.1453236 0.1453236 0.0000000), wk = 0.0028249
k( 18) = ( 0.1544063 0.1544063 0.0000000), wk = 0.0028249
k( 19) = ( 0.1634890 0.1634890 -0.0000000), wk = 0.0028249
k( 20) = ( 0.1725718 0.1725718 0.0000000), wk = 0.0028249
k( 21) = ( 0.1816545 0.1816545 0.0000000), wk = 0.0028249
k( 22) = ( 0.1907372 0.1907372 -0.0000000), wk = 0.0028249
k( 23) = ( 0.1998199 0.1998199 0.0000000), wk = 0.0028249
k( 24) = ( 0.2089027 0.2089027 0.0000000), wk = 0.0028249
k( 25) = ( 0.2179854 0.2179854 0.0000000), wk = 0.0028249
k( 26) = ( 0.2270681 0.2270681 0.0000000), wk = 0.0028249
k( 27) = ( 0.2361508 0.2361508 0.0000000), wk = 0.0028249
k( 28) = ( 0.2452335 0.2452335 -0.0000000), wk = 0.0028249
k( 29) = ( 0.2543163 0.2543163 0.0000000), wk = 0.0028249
k( 30) = ( 0.2633990 0.2633990 -0.0000000), wk = 0.0028249
k( 31) = ( 0.2724817 0.2724817 0.0000000), wk = 0.0028249
k( 32) = ( 0.2815645 0.2815645 0.0000000), wk = 0.0028249
k( 33) = ( 0.2906472 0.2906472 -0.0000000), wk = 0.0028249
k( 34) = ( 0.2997299 0.2997299 0.0000000), wk = 0.0028249
k( 35) = ( 0.3088126 0.3088126 0.0000000), wk = 0.0028249
k( 36) = ( 0.3178954 0.3178953 0.0000000), wk = 0.0028249
k( 37) = ( 0.3269781 0.3269781 0.0000000), wk = 0.0028249
k( 38) = ( 0.3360608 0.3360608 0.0000000), wk = 0.0028249
k( 39) = ( 0.3451435 0.3451435 0.0000000), wk = 0.0028249
k( 40) = ( 0.3451435 0.3451435 0.0000000), wk = 0.0028249
k( 41) = ( 0.3278863 0.3528863 -0.0000000), wk = 0.0028249
k( 42) = ( 0.3106292 0.3606292 0.0000000), wk = 0.0028249
k( 43) = ( 0.2933720 0.3683720 -0.0000000), wk = 0.0028249
k( 44) = ( 0.2761148 0.3761148 0.0000000), wk = 0.0028249
k( 45) = ( 0.2588576 0.3838576 -0.0000000), wk = 0.0028249
k( 46) = ( 0.2416005 0.3916005 0.0000000), wk = 0.0028249
k( 47) = ( 0.2243433 0.3993433 0.0000000), wk = 0.0028249
k( 48) = ( 0.2070861 0.4070861 0.0000000), wk = 0.0028249
k( 49) = ( 0.1898289 0.4148289 0.0000000), wk = 0.0028249
k( 50) = ( 0.1725718 0.4225718 0.0000000), wk = 0.0028249
k( 51) = ( 0.1553146 0.4303146 0.0000000), wk = 0.0028249
k( 52) = ( 0.1380574 0.4380574 0.0000000), wk = 0.0028249
k( 53) = ( 0.1208002 0.4458002 0.0000000), wk = 0.0028249
k( 54) = ( 0.1035431 0.4535431 0.0000000), wk = 0.0028249
k( 55) = ( 0.0862859 0.4612859 0.0000000), wk = 0.0028249
k( 56) = ( 0.0690287 0.4690287 0.0000000), wk = 0.0028249
k( 57) = ( 0.0517715 0.4767715 0.0000000), wk = 0.0028249
k( 58) = ( 0.0345143 0.4845144 0.0000000), wk = 0.0028249
k( 59) = ( 0.0172572 0.4922572 0.0000000), wk = 0.0028249
k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028249
k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028249
k( 62) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0028249
k( 63) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0028249
k( 64) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0028249
k( 65) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0028249
k( 66) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0028249
k( 67) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0028249
k( 68) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0028249
k( 69) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0028249
k( 70) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0028249
k( 71) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0028249
k( 72) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0028249
k( 73) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0028249
k( 74) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0028249
k( 75) = ( 0.0000000 0.5000000 0.2258065), wk = 0.0028249
k( 76) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0028249
k( 77) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0028249
k( 78) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0028249
k( 79) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0028249
k( 80) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0028249
k( 81) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0028249
k( 82) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0028249
k( 83) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0028249
k( 84) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0028249
k( 85) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0028249
k( 86) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0028249
k( 87) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0028249
k( 88) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0028249
k( 89) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0028249
k( 90) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0028249
k( 91) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0028249
k( 92) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249
k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028249
k( 94) = ( 0.0172572 0.4922572 0.5000000), wk = 0.0028249
k( 95) = ( 0.0345143 0.4845144 0.5000000), wk = 0.0028249
k( 96) = ( 0.0517715 0.4767715 0.5000000), wk = 0.0028249
k( 97) = ( 0.0690287 0.4690287 0.5000000), wk = 0.0028249
k( 98) = ( 0.0862859 0.4612859 0.5000000), wk = 0.0028249
k( 99) = ( 0.1035431 0.4535431 0.5000000), wk = 0.0028249
k( 100) = ( 0.1208002 0.4458002 0.5000000), wk = 0.0028249
k( 101) = ( 0.1380574 0.4380574 0.5000000), wk = 0.0028249
k( 102) = ( 0.1553146 0.4303146 0.5000000), wk = 0.0028249
k( 103) = ( 0.1725718 0.4225718 0.5000000), wk = 0.0028249
k( 104) = ( 0.1898289 0.4148289 0.5000000), wk = 0.0028249
k( 105) = ( 0.2070861 0.4070861 0.5000000), wk = 0.0028249
k( 106) = ( 0.2243433 0.3993433 0.5000000), wk = 0.0028249
k( 107) = ( 0.2416005 0.3916005 0.5000000), wk = 0.0028249
k( 108) = ( 0.2588576 0.3838576 0.5000000), wk = 0.0028249
k( 109) = ( 0.2761148 0.3761148 0.5000000), wk = 0.0028249
k( 110) = ( 0.2933720 0.3683720 0.5000000), wk = 0.0028249
k( 111) = ( 0.3106292 0.3606292 0.5000000), wk = 0.0028249
k( 112) = ( 0.3278863 0.3528863 0.5000000), wk = 0.0028249
k( 113) = ( 0.3451435 0.3451435 0.5000000), wk = 0.0028249
k( 114) = ( 0.3451435 0.3451435 0.5000000), wk = 0.0028249
k( 115) = ( 0.3360608 0.3360608 0.5000000), wk = 0.0028249
k( 116) = ( 0.3269781 0.3269781 0.5000000), wk = 0.0028249
k( 117) = ( 0.3178954 0.3178953 0.5000000), wk = 0.0028249
k( 118) = ( 0.3088126 0.3088126 0.5000000), wk = 0.0028249
k( 119) = ( 0.2997299 0.2997299 0.5000000), wk = 0.0028249
k( 120) = ( 0.2906472 0.2906472 0.5000000), wk = 0.0028249
k( 121) = ( 0.2815645 0.2815645 0.5000000), wk = 0.0028249
k( 122) = ( 0.2724817 0.2724817 0.5000000), wk = 0.0028249
k( 123) = ( 0.2633990 0.2633990 0.5000000), wk = 0.0028249
k( 124) = ( 0.2543163 0.2543163 0.5000000), wk = 0.0028249
k( 125) = ( 0.2452335 0.2452335 0.5000000), wk = 0.0028249
k( 126) = ( 0.2361508 0.2361508 0.5000000), wk = 0.0028249
k( 127) = ( 0.2270681 0.2270681 0.5000000), wk = 0.0028249
k( 128) = ( 0.2179854 0.2179854 0.5000000), wk = 0.0028249
k( 129) = ( 0.2089027 0.2089027 0.5000000), wk = 0.0028249
k( 130) = ( 0.1998199 0.1998199 0.5000000), wk = 0.0028249
k( 131) = ( 0.1907372 0.1907372 0.5000000), wk = 0.0028249
k( 132) = ( 0.1816545 0.1816545 0.5000000), wk = 0.0028249
k( 133) = ( 0.1725718 0.1725718 0.5000000), wk = 0.0028249
k( 134) = ( 0.1634890 0.1634890 0.5000000), wk = 0.0028249
k( 135) = ( 0.1544063 0.1544063 0.5000000), wk = 0.0028249
k( 136) = ( 0.1453236 0.1453236 0.5000000), wk = 0.0028249
k( 137) = ( 0.1362409 0.1362409 0.5000000), wk = 0.0028249
k( 138) = ( 0.1271581 0.1271581 0.5000000), wk = 0.0028249
k( 139) = ( 0.1180754 0.1180754 0.5000000), wk = 0.0028249
k( 140) = ( 0.1089927 0.1089927 0.5000000), wk = 0.0028249
k( 141) = ( 0.0999100 0.0999100 0.5000000), wk = 0.0028249
k( 142) = ( 0.0908272 0.0908272 0.5000000), wk = 0.0028249
k( 143) = ( 0.0817445 0.0817445 0.5000000), wk = 0.0028249
k( 144) = ( 0.0726618 0.0726618 0.5000000), wk = 0.0028249
k( 145) = ( 0.0635791 0.0635791 0.5000000), wk = 0.0028249
k( 146) = ( 0.0544963 0.0544963 0.5000000), wk = 0.0028249
k( 147) = ( 0.0454136 0.0454136 0.5000000), wk = 0.0028249
k( 148) = ( 0.0363309 0.0363309 0.5000000), wk = 0.0028249
k( 149) = ( 0.0272482 0.0272482 0.5000000), wk = 0.0028249
k( 150) = ( 0.0181654 0.0181654 0.5000000), wk = 0.0028249
k( 151) = ( 0.0090827 0.0090827 0.5000000), wk = 0.0028249
k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249
k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249
k( 154) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0028249
k( 155) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0028249
k( 156) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0028249
k( 157) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0028249
k( 158) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0028249
k( 159) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0028249
k( 160) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0028249
k( 161) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0028249
k( 162) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0028249
k( 163) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0028249
k( 164) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0028249
k( 165) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0028249
k( 166) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0028249
k( 167) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0028249
k( 168) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0028249
k( 169) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0028249
k( 170) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0028249
k( 171) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0028249
k( 172) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0028249
k( 173) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0028249
k( 174) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0028249
k( 175) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0028249
k( 176) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0028249
k( 177) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0028249
k( 178) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0028249
k( 179) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0028249
k( 180) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0028249
k( 181) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0028249
k( 182) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0028249
k( 183) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0028249
k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249
k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249
k( 186) = ( -0.0147059 0.0147059 0.0000000), wk = 0.0028249
k( 187) = ( -0.0294118 0.0294118 0.0000000), wk = 0.0028249
k( 188) = ( -0.0441177 0.0441177 0.0000000), wk = 0.0028249
k( 189) = ( -0.0588235 0.0588235 0.0000000), wk = 0.0028249
k( 190) = ( -0.0735294 0.0735294 0.0000000), wk = 0.0028249
k( 191) = ( -0.0882353 0.0882353 0.0000000), wk = 0.0028249
k( 192) = ( -0.1029412 0.1029412 0.0000000), wk = 0.0028249
k( 193) = ( -0.1176471 0.1176471 0.0000000), wk = 0.0028249
k( 194) = ( -0.1323529 0.1323529 0.0000000), wk = 0.0028249
k( 195) = ( -0.1470588 0.1470588 0.0000000), wk = 0.0028249
k( 196) = ( -0.1617647 0.1617647 0.0000000), wk = 0.0028249
k( 197) = ( -0.1764706 0.1764706 0.0000000), wk = 0.0028249
k( 198) = ( -0.1911765 0.1911765 0.0000000), wk = 0.0028249
k( 199) = ( -0.2058823 0.2058823 0.0000000), wk = 0.0028249
k( 200) = ( -0.2205882 0.2205882 0.0000000), wk = 0.0028249
k( 201) = ( -0.2352941 0.2352941 0.0000000), wk = 0.0028249
k( 202) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0028249
k( 203) = ( -0.2647059 0.2647059 0.0000000), wk = 0.0028249
k( 204) = ( -0.2794118 0.2794118 0.0000000), wk = 0.0028249
k( 205) = ( -0.2941177 0.2941177 0.0000000), wk = 0.0028249
k( 206) = ( -0.3088235 0.3088235 0.0000000), wk = 0.0028249
k( 207) = ( -0.3235294 0.3235294 0.0000000), wk = 0.0028249
k( 208) = ( -0.3382353 0.3382353 0.0000000), wk = 0.0028249
k( 209) = ( -0.3529412 0.3529412 0.0000000), wk = 0.0028249
k( 210) = ( -0.3676471 0.3676471 0.0000000), wk = 0.0028249
k( 211) = ( -0.3823529 0.3823529 0.0000000), wk = 0.0028249
k( 212) = ( -0.3970588 0.3970588 0.0000000), wk = 0.0028249
k( 213) = ( -0.4117647 0.4117647 0.0000000), wk = 0.0028249
k( 214) = ( -0.4264706 0.4264706 0.0000000), wk = 0.0028249
k( 215) = ( -0.4411765 0.4411765 0.0000000), wk = 0.0028249
k( 216) = ( -0.4558823 0.4558823 0.0000000), wk = 0.0028249
k( 217) = ( -0.4705882 0.4705882 0.0000000), wk = 0.0028249
k( 218) = ( -0.4852941 0.4852941 0.0000000), wk = 0.0028249
k( 219) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028249
k( 220) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028249
k( 221) = ( -0.4908908 0.5091092 0.0000000), wk = 0.0028249
k( 222) = ( -0.4817816 0.5182184 0.0000000), wk = 0.0028249
k( 223) = ( -0.4726724 0.5273276 0.0000000), wk = 0.0028249
k( 224) = ( -0.4635632 0.5364368 0.0000000), wk = 0.0028249
k( 225) = ( -0.4544540 0.5455460 0.0000000), wk = 0.0028249
k( 226) = ( -0.4453448 0.5546552 -0.0000000), wk = 0.0028249
k( 227) = ( -0.4362356 0.5637644 0.0000000), wk = 0.0028249
k( 228) = ( -0.4271264 0.5728736 0.0000000), wk = 0.0028249
k( 229) = ( -0.4180172 0.5819828 0.0000000), wk = 0.0028249
k( 230) = ( -0.4089080 0.5910921 0.0000000), wk = 0.0028249
k( 231) = ( -0.3997987 0.6002013 0.0000000), wk = 0.0028249
k( 232) = ( -0.3906895 0.6093105 0.0000000), wk = 0.0028249
k( 233) = ( -0.3815803 0.6184197 0.0000000), wk = 0.0028249
k( 234) = ( -0.3724711 0.6275289 0.0000000), wk = 0.0028249
k( 235) = ( -0.3633619 0.6366381 0.0000000), wk = 0.0028249
k( 236) = ( -0.3542527 0.6457473 0.0000000), wk = 0.0028249
k( 237) = ( -0.3451435 0.6548565 0.0000000), wk = 0.0028249
k( 238) = ( -0.3451435 0.6548565 0.0000000), wk = 0.0028249
k( 239) = ( -0.3451435 0.6548565 0.0161290), wk = 0.0028249
k( 240) = ( -0.3451435 0.6548565 0.0322581), wk = 0.0028249
k( 241) = ( -0.3451435 0.6548565 0.0483871), wk = 0.0028249
k( 242) = ( -0.3451435 0.6548565 0.0645161), wk = 0.0028249
k( 243) = ( -0.3451435 0.6548565 0.0806452), wk = 0.0028249
k( 244) = ( -0.3451435 0.6548565 0.0967742), wk = 0.0028249
k( 245) = ( -0.3451435 0.6548565 0.1129032), wk = 0.0028249
k( 246) = ( -0.3451435 0.6548565 0.1290323), wk = 0.0028249
k( 247) = ( -0.3451435 0.6548565 0.1451613), wk = 0.0028249
k( 248) = ( -0.3451435 0.6548565 0.1612903), wk = 0.0028249
k( 249) = ( -0.3451435 0.6548565 0.1774194), wk = 0.0028249
k( 250) = ( -0.3451435 0.6548565 0.1935484), wk = 0.0028249
k( 251) = ( -0.3451435 0.6548565 0.2096774), wk = 0.0028249
k( 252) = ( -0.3451435 0.6548565 0.2258065), wk = 0.0028249
k( 253) = ( -0.3451435 0.6548565 0.2419355), wk = 0.0028249
k( 254) = ( -0.3451435 0.6548565 0.2580645), wk = 0.0028249
k( 255) = ( -0.3451435 0.6548565 0.2741936), wk = 0.0028249
k( 256) = ( -0.3451435 0.6548565 0.2903226), wk = 0.0028249
k( 257) = ( -0.3451435 0.6548565 0.3064516), wk = 0.0028249
k( 258) = ( -0.3451435 0.6548565 0.3225807), wk = 0.0028249
k( 259) = ( -0.3451435 0.6548565 0.3387097), wk = 0.0028249
k( 260) = ( -0.3451435 0.6548565 0.3548387), wk = 0.0028249
k( 261) = ( -0.3451435 0.6548565 0.3709677), wk = 0.0028249
k( 262) = ( -0.3451435 0.6548565 0.3870968), wk = 0.0028249
k( 263) = ( -0.3451435 0.6548565 0.4032258), wk = 0.0028249
k( 264) = ( -0.3451435 0.6548565 0.4193548), wk = 0.0028249
k( 265) = ( -0.3451435 0.6548565 0.4354839), wk = 0.0028249
k( 266) = ( -0.3451435 0.6548565 0.4516129), wk = 0.0028249
k( 267) = ( -0.3451435 0.6548565 0.4677419), wk = 0.0028249
k( 268) = ( -0.3451435 0.6548565 0.4838710), wk = 0.0028249
k( 269) = ( -0.3451435 0.6548565 0.5000000), wk = 0.0028249
k( 270) = ( -0.3451435 0.6548565 0.5000000), wk = 0.0028249
k( 271) = ( -0.3542527 0.6457473 0.5000000), wk = 0.0028249
k( 272) = ( -0.3633619 0.6366381 0.5000000), wk = 0.0028249
k( 273) = ( -0.3724711 0.6275289 0.5000000), wk = 0.0028249
k( 274) = ( -0.3815803 0.6184197 0.5000000), wk = 0.0028249
k( 275) = ( -0.3906895 0.6093105 0.5000000), wk = 0.0028249
k( 276) = ( -0.3997987 0.6002013 0.5000000), wk = 0.0028249
k( 277) = ( -0.4089080 0.5910921 0.5000000), wk = 0.0028249
k( 278) = ( -0.4180172 0.5819828 0.5000000), wk = 0.0028249
k( 279) = ( -0.4271264 0.5728736 0.5000000), wk = 0.0028249
k( 280) = ( -0.4362356 0.5637644 0.5000000), wk = 0.0028249
k( 281) = ( -0.4453448 0.5546552 0.5000000), wk = 0.0028249
k( 282) = ( -0.4544540 0.5455460 0.5000000), wk = 0.0028249
k( 283) = ( -0.4635632 0.5364368 0.5000000), wk = 0.0028249
k( 284) = ( -0.4726724 0.5273276 0.5000000), wk = 0.0028249
k( 285) = ( -0.4817816 0.5182184 0.5000000), wk = 0.0028249
k( 286) = ( -0.4908908 0.5091092 0.5000000), wk = 0.0028249
k( 287) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249
k( 288) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249
k( 289) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0028249
k( 290) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0028249
k( 291) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0028249
k( 292) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0028249
k( 293) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0028249
k( 294) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0028249
k( 295) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0028249
k( 296) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0028249
k( 297) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0028249
k( 298) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0028249
k( 299) = ( -0.5000000 0.5000000 0.3225807), wk = 0.0028249
k( 300) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0028249
k( 301) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0028249
k( 302) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0028249
k( 303) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0028249
k( 304) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0028249
k( 305) = ( -0.5000000 0.5000000 0.2258065), wk = 0.0028249
k( 306) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0028249
k( 307) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0028249
k( 308) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0028249
k( 309) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0028249
k( 310) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0028249
k( 311) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0028249
k( 312) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0028249
k( 313) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0028249
k( 314) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0028249
k( 315) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0028249
k( 316) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0028249
k( 317) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0028249
k( 318) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0028249
k( 319) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028249
k( 320) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249
k( 321) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0028249
k( 322) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0028249
k( 323) = ( -0.0441177 0.0441177 0.5000000), wk = 0.0028249
k( 324) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0028249
k( 325) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0028249
k( 326) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0028249
k( 327) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0028249
k( 328) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0028249
k( 329) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0028249
k( 330) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0028249
k( 331) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0028249
k( 332) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0028249
k( 333) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0028249
k( 334) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0028249
k( 335) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0028249
k( 336) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0028249
k( 337) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0028249
k( 338) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0028249
k( 339) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0028249
k( 340) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0028249
k( 341) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0028249
k( 342) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0028249
k( 343) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0028249
k( 344) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0028249
k( 345) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0028249
k( 346) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0028249
k( 347) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0028249
k( 348) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0028249
k( 349) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0028249
k( 350) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0028249
k( 351) = ( -0.4558823 0.4558823 0.5000000), wk = 0.0028249
k( 352) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0028249
k( 353) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0028249
k( 354) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028249
Dense grid: 90311 G-vectors FFT dimensions: ( 60, 60, 60)
Smooth grid: 39941 G-vectors FFT dimensions: ( 45, 45, 45)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.20 Mb ( 224, 58)
NL pseudopotentials 0.24 Mb ( 112, 140)
Each V/rho on FFT grid 0.11 Mb ( 7200)
Each G-vector array 0.01 Mb ( 1883)
G-vector shells 0.01 Mb ( 955)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.79 Mb ( 224, 232)
Each subspace H/S matrix 0.82 Mb ( 232, 232)
Each <psi_i|beta_j> matrix 0.25 Mb ( 140, 2, 58)
The potential is recalculated from file :
./Ge2N2O.save/charge-density.dat
Starting wfc are 80 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 40.9 secs
Computing kpt #: 2
total cpu time spent up to now is 44.0 secs
Computing kpt #: 3
total cpu time spent up to now is 46.8 secs
Computing kpt #: 4
total cpu time spent up to now is 49.6 secs
Computing kpt #: 5
total cpu time spent up to now is 52.3 secs
Computing kpt #: 6
total cpu time spent up to now is 55.3 secs
Computing kpt #: 7
total cpu time spent up to now is 58.3 secs
Computing kpt #: 8
total cpu time spent up to now is 61.0 secs
Computing kpt #: 9
total cpu time spent up to now is 65.7 secs
Computing kpt #: 10
total cpu time spent up to now is 70.0 secs
Computing kpt #: 11
total cpu time spent up to now is 72.8 secs
Computing kpt #: 12
total cpu time spent up to now is 75.8 secs
Computing kpt #: 13
total cpu time spent up to now is 78.6 secs
Computing kpt #: 14
total cpu time spent up to now is 81.8 secs
Computing kpt #: 15
total cpu time spent up to now is 84.4 secs
Computing kpt #: 16
total cpu time spent up to now is 86.7 secs
Computing kpt #: 17
total cpu time spent up to now is 90.6 secs
Computing kpt #: 18
total cpu time spent up to now is 94.5 secs
Computing kpt #: 19
total cpu time spent up to now is 96.7 secs
Computing kpt #: 20
total cpu time spent up to now is 98.9 secs
Computing kpt #: 21
total cpu time spent up to now is 101.5 secs
Computing kpt #: 22
total cpu time spent up to now is 103.9 secs
Computing kpt #: 23
total cpu time spent up to now is 106.2 secs
Computing kpt #: 24
total cpu time spent up to now is 108.5 secs
Computing kpt #: 25
total cpu time spent up to now is 110.7 secs
Computing kpt #: 26
total cpu time spent up to now is 114.3 secs
Computing kpt #: 27
total cpu time spent up to now is 118.5 secs
Computing kpt #: 28
total cpu time spent up to now is 120.8 secs
Computing kpt #: 29
total cpu time spent up to now is 123.1 secs
Computing kpt #: 30
total cpu time spent up to now is 125.3 secs
Computing kpt #: 31
total cpu time spent up to now is 127.4 secs
Computing kpt #: 32
total cpu time spent up to now is 129.6 secs
Computing kpt #: 33
total cpu time spent up to now is 131.8 secs
Computing kpt #: 34
total cpu time spent up to now is 134.0 secs
Computing kpt #: 35
total cpu time spent up to now is 136.2 secs
Computing kpt #: 36
total cpu time spent up to now is 138.5 secs
Computing kpt #: 37
total cpu time spent up to now is 141.2 secs
Computing kpt #: 38
total cpu time spent up to now is 143.4 secs
Computing kpt #: 39
total cpu time spent up to now is 145.6 secs
Computing kpt #: 40
total cpu time spent up to now is 148.1 secs
Computing kpt #: 41
total cpu time spent up to now is 150.4 secs
Computing kpt #: 42
total cpu time spent up to now is 153.0 secs
Computing kpt #: 43
total cpu time spent up to now is 155.6 secs
Computing kpt #: 44
total cpu time spent up to now is 158.5 secs
Computing kpt #: 45
total cpu time spent up to now is 160.6 secs
Computing kpt #: 46
total cpu time spent up to now is 162.8 secs
Computing kpt #: 47
total cpu time spent up to now is 165.3 secs
Computing kpt #: 48
total cpu time spent up to now is 168.5 secs
Computing kpt #: 49
total cpu time spent up to now is 171.6 secs
Computing kpt #: 50
total cpu time spent up to now is 173.8 secs
Computing kpt #: 51
total cpu time spent up to now is 176.9 secs
Computing kpt #: 52
total cpu time spent up to now is 179.5 secs
Computing kpt #: 53
total cpu time spent up to now is 182.0 secs
Computing kpt #: 54
total cpu time spent up to now is 184.6 secs
Computing kpt #: 55
total cpu time spent up to now is 187.5 secs
Computing kpt #: 56
total cpu time spent up to now is 190.1 secs
Computing kpt #: 57
total cpu time spent up to now is 193.4 secs
Computing kpt #: 58
total cpu time spent up to now is 196.7 secs
Computing kpt #: 59
total cpu time spent up to now is 200.1 secs
Computing kpt #: 60
total cpu time spent up to now is 202.9 secs
Computing kpt #: 61
total cpu time spent up to now is 205.9 secs
Computing kpt #: 62
total cpu time spent up to now is 208.7 secs
Computing kpt #: 63
total cpu time spent up to now is 211.6 secs
Computing kpt #: 64
total cpu time spent up to now is 214.3 secs
Computing kpt #: 65
total cpu time spent up to now is 216.8 secs
Computing kpt #: 66
total cpu time spent up to now is 219.2 secs
Computing kpt #: 67
total cpu time spent up to now is 221.5 secs
Computing kpt #: 68
total cpu time spent up to now is 223.9 secs
Computing kpt #: 69
total cpu time spent up to now is 226.3 secs
Computing kpt #: 70
total cpu time spent up to now is 228.9 secs
Computing kpt #: 71
total cpu time spent up to now is 231.7 secs
Computing kpt #: 72
total cpu time spent up to now is 234.4 secs
Computing kpt #: 73
total cpu time spent up to now is 237.1 secs
Computing kpt #: 74
total cpu time spent up to now is 240.6 secs
Computing kpt #: 75
total cpu time spent up to now is 243.9 secs
Computing kpt #: 76
total cpu time spent up to now is 247.4 secs
Computing kpt #: 77
total cpu time spent up to now is 251.1 secs
Computing kpt #: 78
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 256.0 secs
Computing kpt #: 79
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 261.2 secs
Computing kpt #: 80
total cpu time spent up to now is 265.4 secs
Computing kpt #: 81
total cpu time spent up to now is 269.0 secs
Computing kpt #: 82
total cpu time spent up to now is 271.9 secs
Computing kpt #: 83
total cpu time spent up to now is 274.8 secs
Computing kpt #: 84
total cpu time spent up to now is 278.2 secs
Computing kpt #: 85
total cpu time spent up to now is 280.5 secs
Computing kpt #: 86
total cpu time spent up to now is 283.5 secs
Computing kpt #: 87
total cpu time spent up to now is 286.2 secs
Computing kpt #: 88
total cpu time spent up to now is 288.9 secs
Computing kpt #: 89
total cpu time spent up to now is 292.3 secs
Computing kpt #: 90
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 296.9 secs
Computing kpt #: 91
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 301.7 secs
Computing kpt #: 92
total cpu time spent up to now is 304.5 secs
Computing kpt #: 93
total cpu time spent up to now is 308.3 secs
Computing kpt #: 94
total cpu time spent up to now is 310.8 secs
Computing kpt #: 95
total cpu time spent up to now is 314.2 secs
Computing kpt #: 96
total cpu time spent up to now is 316.9 secs
Computing kpt #: 97
total cpu time spent up to now is 319.7 secs
Computing kpt #: 98
total cpu time spent up to now is 322.4 secs
Computing kpt #: 99
total cpu time spent up to now is 325.2 secs
Computing kpt #: 100
total cpu time spent up to now is 328.2 secs
Computing kpt #: 101
total cpu time spent up to now is 331.0 secs
Computing kpt #: 102
total cpu time spent up to now is 333.7 secs
Computing kpt #: 103
total cpu time spent up to now is 336.7 secs
Computing kpt #: 104
total cpu time spent up to now is 339.5 secs
Computing kpt #: 105
total cpu time spent up to now is 342.9 secs
Computing kpt #: 106
total cpu time spent up to now is 345.6 secs
Computing kpt #: 107
total cpu time spent up to now is 348.7 secs
Computing kpt #: 108
total cpu time spent up to now is 351.4 secs
Computing kpt #: 109
total cpu time spent up to now is 354.3 secs
Computing kpt #: 110
total cpu time spent up to now is 357.9 secs
Computing kpt #: 111
total cpu time spent up to now is 361.2 secs
Computing kpt #: 112
total cpu time spent up to now is 364.1 secs
Computing kpt #: 113
total cpu time spent up to now is 368.1 secs
Computing kpt #: 114
total cpu time spent up to now is 371.5 secs
Computing kpt #: 115
total cpu time spent up to now is 374.3 secs
Computing kpt #: 116
total cpu time spent up to now is 377.6 secs
Computing kpt #: 117
total cpu time spent up to now is 380.7 secs
Computing kpt #: 118
total cpu time spent up to now is 383.9 secs
Computing kpt #: 119
total cpu time spent up to now is 387.2 secs
Computing kpt #: 120
total cpu time spent up to now is 390.6 secs
Computing kpt #: 121
total cpu time spent up to now is 394.5 secs
Computing kpt #: 122
total cpu time spent up to now is 397.3 secs
Computing kpt #: 123
total cpu time spent up to now is 401.0 secs
Computing kpt #: 124
total cpu time spent up to now is 404.5 secs
Computing kpt #: 125
total cpu time spent up to now is 407.7 secs
Computing kpt #: 126
total cpu time spent up to now is 411.4 secs
Computing kpt #: 127
total cpu time spent up to now is 414.7 secs
Computing kpt #: 128
total cpu time spent up to now is 418.0 secs
Computing kpt #: 129
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 422.6 secs
Computing kpt #: 130
total cpu time spent up to now is 426.1 secs
Computing kpt #: 131
total cpu time spent up to now is 429.9 secs
Computing kpt #: 132
total cpu time spent up to now is 432.9 secs
Computing kpt #: 133
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 437.4 secs
Computing kpt #: 134
total cpu time spent up to now is 442.0 secs
Computing kpt #: 135
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 446.5 secs
Computing kpt #: 136
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 451.3 secs
Computing kpt #: 137
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 456.1 secs
Computing kpt #: 138
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 460.9 secs
Computing kpt #: 139
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 465.8 secs
Computing kpt #: 140
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 472.0 secs
Computing kpt #: 141
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 476.9 secs
Computing kpt #: 142
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 481.7 secs
Computing kpt #: 143
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 486.5 secs
Computing kpt #: 144
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 491.6 secs
Computing kpt #: 145
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 496.0 secs
Computing kpt #: 146
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 501.0 secs
Computing kpt #: 147
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 506.0 secs
Computing kpt #: 148
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 510.8 secs
Computing kpt #: 149
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 515.5 secs
Computing kpt #: 150
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 520.7 secs
Computing kpt #: 151
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 525.6 secs
Computing kpt #: 152
total cpu time spent up to now is 527.6 secs
Computing kpt #: 153
total cpu time spent up to now is 529.8 secs
Computing kpt #: 154
total cpu time spent up to now is 532.2 secs
Computing kpt #: 155
total cpu time spent up to now is 534.7 secs
Computing kpt #: 156
total cpu time spent up to now is 537.2 secs
Computing kpt #: 157
total cpu time spent up to now is 539.3 secs
Computing kpt #: 158
total cpu time spent up to now is 541.5 secs
Computing kpt #: 159
total cpu time spent up to now is 543.5 secs
Computing kpt #: 160
total cpu time spent up to now is 545.7 secs
Computing kpt #: 161
total cpu time spent up to now is 548.1 secs
Computing kpt #: 162
total cpu time spent up to now is 550.8 secs
Computing kpt #: 163
total cpu time spent up to now is 553.0 secs
Computing kpt #: 164
total cpu time spent up to now is 555.0 secs
Computing kpt #: 165
total cpu time spent up to now is 557.2 secs
Computing kpt #: 166
total cpu time spent up to now is 559.2 secs
Computing kpt #: 167
total cpu time spent up to now is 561.1 secs
Computing kpt #: 168
total cpu time spent up to now is 563.3 secs
Computing kpt #: 169
total cpu time spent up to now is 565.4 secs
Computing kpt #: 170
total cpu time spent up to now is 567.4 secs
Computing kpt #: 171
total cpu time spent up to now is 569.5 secs
Computing kpt #: 172
total cpu time spent up to now is 571.7 secs
Computing kpt #: 173
total cpu time spent up to now is 574.1 secs
Computing kpt #: 174
total cpu time spent up to now is 576.5 secs
Computing kpt #: 175
total cpu time spent up to now is 578.6 secs
Computing kpt #: 176
total cpu time spent up to now is 580.7 secs
Computing kpt #: 177
total cpu time spent up to now is 582.8 secs
Computing kpt #: 178
total cpu time spent up to now is 585.2 secs
Computing kpt #: 179
total cpu time spent up to now is 587.4 secs
Computing kpt #: 180
total cpu time spent up to now is 590.1 secs
Computing kpt #: 181
total cpu time spent up to now is 592.5 secs
Computing kpt #: 182
total cpu time spent up to now is 595.1 secs
Computing kpt #: 183
total cpu time spent up to now is 597.7 secs
Computing kpt #: 184
total cpu time spent up to now is 600.3 secs
Computing kpt #: 185
total cpu time spent up to now is 603.2 secs
Computing kpt #: 186
total cpu time spent up to now is 605.9 secs
Computing kpt #: 187
total cpu time spent up to now is 608.6 secs
Computing kpt #: 188
total cpu time spent up to now is 611.4 secs
Computing kpt #: 189
total cpu time spent up to now is 614.0 secs
Computing kpt #: 190
total cpu time spent up to now is 616.8 secs
Computing kpt #: 191
total cpu time spent up to now is 619.8 secs
Computing kpt #: 192
total cpu time spent up to now is 623.1 secs
Computing kpt #: 193
total cpu time spent up to now is 625.5 secs
Computing kpt #: 194
total cpu time spent up to now is 627.8 secs
Computing kpt #: 195
total cpu time spent up to now is 630.2 secs
Computing kpt #: 196
total cpu time spent up to now is 632.5 secs
Computing kpt #: 197
total cpu time spent up to now is 634.8 secs
Computing kpt #: 198
total cpu time spent up to now is 637.0 secs
Computing kpt #: 199
total cpu time spent up to now is 639.2 secs
Computing kpt #: 200
total cpu time spent up to now is 641.4 secs
Computing kpt #: 201
total cpu time spent up to now is 643.6 secs
Computing kpt #: 202
total cpu time spent up to now is 645.9 secs
Computing kpt #: 203
total cpu time spent up to now is 648.1 secs
Computing kpt #: 204
total cpu time spent up to now is 650.3 secs
Computing kpt #: 205
total cpu time spent up to now is 652.5 secs
Computing kpt #: 206
total cpu time spent up to now is 654.9 secs
Computing kpt #: 207
total cpu time spent up to now is 657.0 secs
Computing kpt #: 208
total cpu time spent up to now is 659.2 secs
Computing kpt #: 209
total cpu time spent up to now is 661.4 secs
Computing kpt #: 210
total cpu time spent up to now is 663.9 secs
Computing kpt #: 211
total cpu time spent up to now is 666.1 secs
Computing kpt #: 212
total cpu time spent up to now is 668.3 secs
Computing kpt #: 213
total cpu time spent up to now is 670.7 secs
Computing kpt #: 214
total cpu time spent up to now is 673.4 secs
Computing kpt #: 215
total cpu time spent up to now is 675.7 secs
Computing kpt #: 216
total cpu time spent up to now is 678.2 secs
Computing kpt #: 217
total cpu time spent up to now is 681.2 secs
Computing kpt #: 218
total cpu time spent up to now is 684.0 secs
Computing kpt #: 219
total cpu time spent up to now is 687.9 secs
Computing kpt #: 220
total cpu time spent up to now is 691.1 secs
Computing kpt #: 221
total cpu time spent up to now is 694.5 secs
Computing kpt #: 222
total cpu time spent up to now is 698.4 secs
Computing kpt #: 223
total cpu time spent up to now is 702.0 secs
Computing kpt #: 224
total cpu time spent up to now is 705.4 secs
Computing kpt #: 225
total cpu time spent up to now is 709.0 secs
Computing kpt #: 226
total cpu time spent up to now is 711.8 secs
Computing kpt #: 227
total cpu time spent up to now is 714.5 secs
Computing kpt #: 228
total cpu time spent up to now is 717.3 secs
Computing kpt #: 229
total cpu time spent up to now is 720.3 secs
Computing kpt #: 230
total cpu time spent up to now is 722.9 secs
Computing kpt #: 231
total cpu time spent up to now is 726.9 secs
Computing kpt #: 232
total cpu time spent up to now is 730.2 secs
Computing kpt #: 233
total cpu time spent up to now is 733.6 secs
Computing kpt #: 234
total cpu time spent up to now is 736.5 secs
Computing kpt #: 235
total cpu time spent up to now is 739.1 secs
Computing kpt #: 236
total cpu time spent up to now is 741.3 secs
Computing kpt #: 237
total cpu time spent up to now is 743.7 secs
Computing kpt #: 238
total cpu time spent up to now is 745.9 secs
Computing kpt #: 239
total cpu time spent up to now is 748.0 secs
Computing kpt #: 240
total cpu time spent up to now is 750.2 secs
Computing kpt #: 241
total cpu time spent up to now is 752.4 secs
Computing kpt #: 242
total cpu time spent up to now is 754.7 secs
Computing kpt #: 243
total cpu time spent up to now is 757.5 secs
Computing kpt #: 244
total cpu time spent up to now is 759.9 secs
Computing kpt #: 245
total cpu time spent up to now is 762.2 secs
Computing kpt #: 246
total cpu time spent up to now is 764.7 secs
Computing kpt #: 247
total cpu time spent up to now is 768.2 secs
Computing kpt #: 248
total cpu time spent up to now is 770.5 secs
Computing kpt #: 249
total cpu time spent up to now is 773.0 secs
Computing kpt #: 250
total cpu time spent up to now is 775.3 secs
Computing kpt #: 251
total cpu time spent up to now is 777.7 secs
Computing kpt #: 252
total cpu time spent up to now is 780.2 secs
Computing kpt #: 253
total cpu time spent up to now is 783.2 secs
Computing kpt #: 254
total cpu time spent up to now is 785.4 secs
Computing kpt #: 255
total cpu time spent up to now is 787.6 secs
Computing kpt #: 256
total cpu time spent up to now is 790.0 secs
Computing kpt #: 257
total cpu time spent up to now is 792.4 secs
Computing kpt #: 258
total cpu time spent up to now is 794.7 secs
Computing kpt #: 259
total cpu time spent up to now is 797.0 secs
Computing kpt #: 260
total cpu time spent up to now is 799.3 secs
Computing kpt #: 261
total cpu time spent up to now is 801.8 secs
Computing kpt #: 262
total cpu time spent up to now is 804.4 secs
Computing kpt #: 263
total cpu time spent up to now is 807.0 secs
Computing kpt #: 264
total cpu time spent up to now is 809.7 secs
Computing kpt #: 265
total cpu time spent up to now is 812.5 secs
Computing kpt #: 266
total cpu time spent up to now is 815.0 secs
Computing kpt #: 267
total cpu time spent up to now is 817.7 secs
Computing kpt #: 268
total cpu time spent up to now is 820.6 secs
Computing kpt #: 269
total cpu time spent up to now is 824.6 secs
Computing kpt #: 270
total cpu time spent up to now is 827.8 secs
Computing kpt #: 271
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 832.5 secs
Computing kpt #: 272
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 837.6 secs
Computing kpt #: 273
total cpu time spent up to now is 840.5 secs
Computing kpt #: 274
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 845.3 secs
Computing kpt #: 275
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 850.2 secs
Computing kpt #: 276
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 855.0 secs
Computing kpt #: 277
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 859.8 secs
Computing kpt #: 278
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 864.5 secs
Computing kpt #: 279
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 869.2 secs
Computing kpt #: 280
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 874.2 secs
Computing kpt #: 281
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 879.7 secs
Computing kpt #: 282
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 884.7 secs
Computing kpt #: 283
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 889.8 secs
Computing kpt #: 284
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 894.7 secs
Computing kpt #: 285
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 899.6 secs
Computing kpt #: 286
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 904.6 secs
Computing kpt #: 287
total cpu time spent up to now is 906.9 secs
Computing kpt #: 288
total cpu time spent up to now is 909.2 secs
Computing kpt #: 289
total cpu time spent up to now is 912.0 secs
Computing kpt #: 290
total cpu time spent up to now is 914.7 secs
Computing kpt #: 291
total cpu time spent up to now is 917.1 secs
Computing kpt #: 292
total cpu time spent up to now is 919.6 secs
Computing kpt #: 293
total cpu time spent up to now is 922.1 secs
Computing kpt #: 294
total cpu time spent up to now is 924.2 secs
Computing kpt #: 295
total cpu time spent up to now is 926.3 secs
Computing kpt #: 296
total cpu time spent up to now is 928.5 secs
Computing kpt #: 297
total cpu time spent up to now is 930.5 secs
Computing kpt #: 298
total cpu time spent up to now is 932.6 secs
Computing kpt #: 299
total cpu time spent up to now is 934.9 secs
Computing kpt #: 300
total cpu time spent up to now is 937.6 secs
Computing kpt #: 301
total cpu time spent up to now is 939.7 secs
Computing kpt #: 302
total cpu time spent up to now is 941.9 secs
Computing kpt #: 303
total cpu time spent up to now is 943.9 secs
Computing kpt #: 304
total cpu time spent up to now is 946.1 secs
Computing kpt #: 305
total cpu time spent up to now is 948.4 secs
Computing kpt #: 306
total cpu time spent up to now is 950.7 secs
Computing kpt #: 307
total cpu time spent up to now is 952.9 secs
Computing kpt #: 308
total cpu time spent up to now is 955.2 secs
Computing kpt #: 309
total cpu time spent up to now is 957.7 secs
Computing kpt #: 310
total cpu time spent up to now is 960.3 secs
Computing kpt #: 311
total cpu time spent up to now is 962.9 secs
Computing kpt #: 312
total cpu time spent up to now is 965.6 secs
Computing kpt #: 313
total cpu time spent up to now is 968.3 secs
Computing kpt #: 314
total cpu time spent up to now is 971.7 secs
Computing kpt #: 315
total cpu time spent up to now is 974.9 secs
Computing kpt #: 316
total cpu time spent up to now is 978.6 secs
Computing kpt #: 317
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 983.3 secs
Computing kpt #: 318
total cpu time spent up to now is 986.8 secs
Computing kpt #: 319
total cpu time spent up to now is 990.0 secs
Computing kpt #: 320
total cpu time spent up to now is 992.1 secs
Computing kpt #: 321
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 996.7 secs
Computing kpt #: 322
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1001.5 secs
Computing kpt #: 323
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1006.4 secs
Computing kpt #: 324
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1011.1 secs
Computing kpt #: 325
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1015.7 secs
Computing kpt #: 326
total cpu time spent up to now is 1019.2 secs
Computing kpt #: 327
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1023.9 secs
Computing kpt #: 328
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1028.5 secs
Computing kpt #: 329
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1033.9 secs
Computing kpt #: 330
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1038.6 secs
Computing kpt #: 331
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1043.2 secs
Computing kpt #: 332
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1047.9 secs
Computing kpt #: 333
total cpu time spent up to now is 1052.4 secs
Computing kpt #: 334
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1057.2 secs
Computing kpt #: 335
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1061.8 secs
Computing kpt #: 336
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1066.9 secs
Computing kpt #: 337
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1072.9 secs
Computing kpt #: 338
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1077.7 secs
Computing kpt #: 339
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1082.4 secs
Computing kpt #: 340
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1087.5 secs
Computing kpt #: 341
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1092.2 secs
Computing kpt #: 342
c_bands: 2 eigenvalues not converged
total cpu time spent up to now is 1097.1 secs
Computing kpt #: 343
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1101.9 secs
Computing kpt #: 344
total cpu time spent up to now is 1106.7 secs
Computing kpt #: 345
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1111.2 secs
Computing kpt #: 346
total cpu time spent up to now is 1114.5 secs
Computing kpt #: 347
total cpu time spent up to now is 1118.9 secs
Computing kpt #: 348
total cpu time spent up to now is 1122.7 secs
Computing kpt #: 349
total cpu time spent up to now is 1126.2 secs
Computing kpt #: 350
total cpu time spent up to now is 1129.6 secs
Computing kpt #: 351
total cpu time spent up to now is 1133.5 secs
Computing kpt #: 352
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1138.1 secs
Computing kpt #: 353
c_bands: 1 eigenvalues not converged
total cpu time spent up to now is 1143.5 secs
Computing kpt #: 354
total cpu time spent up to now is 1145.5 secs
ethr = 2.08E-11, avg # of iterations = 56.9
total cpu time spent up to now is 1145.6 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 5005 PWs) bands (ev):
-13.4884 -13.4884 -12.7197 -12.7197 -11.3349 -11.3349 -9.9797 -9.9797
-9.8893 -9.8893 -9.6235 -9.6235 -4.4718 -4.4718 -4.0572 -4.0572
-3.9405 -3.9405 -1.1899 -1.1899 -0.8527 -0.8527 -0.8070 -0.8070
0.1657 0.1657 0.9207 0.9207 1.4009 1.4009 1.5108 1.5108
2.3849 2.3849 2.6931 2.6931 3.1518 3.1518 3.3933 3.3933
3.6803 3.6803 3.8074 3.8074 3.9185 3.9185 3.9321 3.9321
7.1666 7.1666 9.1745 9.1745 10.0062 10.0062 10.3459 10.3459
12.0432 12.0432
k = 0.0091 0.0147-0.0000 ( 4987 PWs) bands (ev):
-13.4879 -13.4878 -12.7197 -12.7197 -11.3346 -11.3345 -10.0139 -9.9993
-9.8724 -9.8559 -9.6236 -9.6226 -4.4713 -4.4708 -4.0852 -4.0791
-3.9164 -3.9082 -1.2023 -1.1847 -0.8541 -0.8539 -0.8111 -0.7997
0.1680 0.1720 0.9212 0.9216 1.3969 1.3986 1.5084 1.5084
2.3854 2.3857 2.6914 2.6929 3.1535 3.1538 3.3905 3.3918
3.6721 3.6768 3.8068 3.8071 3.9207 3.9232 3.9320 3.9322
7.1706 7.1707 9.1765 9.1775 10.0065 10.0073 10.3466 10.3472
12.0306 12.0362
k = 0.0182 0.0294-0.0000 ( 4995 PWs) bands (ev):
-13.4862 -13.4861 -12.7198 -12.7197 -11.3335 -11.3332 -10.0659 -10.0492
-9.8288 -9.8084 -9.6230 -9.6210 -4.4691 -4.4682 -4.1325 -4.1257
-3.8614 -3.8504 -1.2209 -1.1872 -0.8586 -0.8572 -0.8117 -0.7892
0.1788 0.1867 0.9229 0.9238 1.3867 1.3901 1.5011 1.5011
2.3872 2.3877 2.6880 2.6909 3.1588 3.1594 3.3832 3.3858
3.6539 3.6625 3.8052 3.8057 3.9290 3.9314 3.9318 3.9341
7.1827 7.1828 9.1835 9.1855 10.0084 10.0101 10.3494 10.3505
12.0038 12.0120
k = 0.0272 0.0442-0.0000 ( 4995 PWs) bands (ev):
-13.4834 -13.4833 -12.7199 -12.7198 -11.3316 -11.3311 -10.1226 -10.1060
-9.7818 -9.7597 -9.6217 -9.6186 -4.4653 -4.4640 -4.1818 -4.1755
-3.7969 -3.7844 -1.2448 -1.1975 -0.8663 -0.8625 -0.8084 -0.7761
0.1977 0.2093 0.9260 0.9274 1.3703 1.3754 1.4891 1.4891
2.3902 2.3908 2.6829 2.6873 3.1673 3.1681 3.3711 3.3750
3.6288 3.6405 3.8027 3.8033 3.9314 3.9316 3.9413 3.9471
7.2027 7.2029 9.1953 9.1983 10.0119 10.0144 10.3542 10.3558
11.9692 11.9778
k = 0.0363 0.0589-0.0000 ( 4997 PWs) bands (ev):
-13.4794 -13.4793 -12.7201 -12.7200 -11.3288 -11.3282 -10.1816 -10.1656
-9.7356 -9.7122 -9.6196 -9.6156 -4.4600 -4.4582 -4.2294 -4.2239
-3.7276 -3.7140 -1.2731 -1.2150 -0.8771 -0.8704 -0.8005 -0.7606
0.2239 0.2392 0.9303 0.9322 1.3478 1.3545 1.4724 1.4726
2.3943 2.3949 2.6765 2.6823 3.1784 3.1793 3.3537 3.3586
3.6002 3.6141 3.7995 3.8000 3.9309 3.9312 3.9552 3.9616
7.2303 7.2305 9.2118 9.2157 10.0168 10.0201 10.3609 10.3630
11.9298 11.9380
k = 0.0454 0.0736-0.0000 ( 4999 PWs) bands (ev):
-13.4744 -13.4742 -12.7202 -12.7201 -11.3253 -11.3245 -10.2422 -10.2269
-9.6914 -9.6668 -9.6167 -9.6119 -4.4531 -4.4509 -4.2742 -4.2696
-3.6549 -3.6401 -1.3048 -1.2388 -0.8909 -0.8812 -0.7879 -0.7429
0.2569 0.2756 0.9360 0.9383 1.3193 1.3276 1.4513 1.4517
2.3993 2.3999 2.6690 2.6763 3.1914 3.1922 3.3306 3.3360
3.5708 3.5863 3.7955 3.7959 3.9303 3.9306 3.9692 3.9759
7.2650 7.2653 9.2327 9.2375 10.0233 10.0274 10.3693 10.3720
11.8873 11.8945
k = 0.0545 0.0883-0.0000 ( 4987 PWs) bands (ev):
-13.4682 -13.4680 -12.7205 -12.7203 -11.3209 -11.3199 -10.3039 -10.2893
-9.6500 -9.6238 -9.6127 -9.6073 -4.4446 -4.4421 -4.3158 -4.3121
-3.5793 -3.5635 -1.3392 -1.2675 -0.9075 -0.8949 -0.7709 -0.7229
0.2957 0.3176 0.9428 0.9457 1.2850 1.2949 1.4258 1.4267
2.4049 2.4054 2.6609 2.6697 3.2049 3.2050 3.3025 3.3074
3.5428 3.5592 3.7907 3.7911 3.9294 3.9299 3.9827 3.9894
7.3063 7.3068 9.2575 9.2632 10.0312 10.0362 10.3794 10.3827
11.8423 11.8484
k = 0.0636 0.1031-0.0000 ( 4983 PWs) bands (ev):
-13.4610 -13.4608 -12.7207 -12.7206 -11.3157 -11.3146 -10.3665 -10.3527
-9.6167 -9.6026 -9.6023 -9.5830 -4.4346 -4.4317 -4.3540 -4.3512
-3.5013 -3.4845 -1.3755 -1.3000 -0.9268 -0.9116 -0.7499 -0.7007
0.3395 0.3643 0.9508 0.9542 1.2451 1.2565 1.3962 1.3977
2.4110 2.4113 2.6524 2.6625 3.2119 3.2152 3.2746 3.2759
3.5175 3.5340 3.7853 3.7856 3.9284 3.9289 3.9952 4.0018
7.3538 7.3545 9.2860 9.2925 10.0405 10.0463 10.3909 10.3947
11.7954 11.8002
k = 0.0727 0.1178-0.0000 ( 4987 PWs) bands (ev):
-13.4527 -13.4525 -12.7211 -12.7209 -11.3097 -11.3083 -10.4298 -10.4167
-9.6069 -9.5968 -9.5706 -9.5454 -4.4231 -4.4200 -4.3885 -4.3868
-3.4210 -3.4032 -1.4131 -1.3350 -0.9488 -0.9309 -0.7254 -0.6761
0.3875 0.4150 0.9600 0.9639 1.1998 1.2126 1.3626 1.3650
2.4170 2.4171 2.6438 2.6553 3.1954 3.2041 3.2598 3.2646
3.4951 3.5112 3.7793 3.7795 3.9272 3.9278 4.0068 4.0132
7.4069 7.4077 9.3177 9.3249 10.0511 10.0579 10.4035 10.4079
11.7469 11.7503
k = 0.0817 0.1325-0.0000 ( 4991 PWs) bands (ev):
-13.4434 -13.4432 -12.7214 -12.7212 -11.3028 -11.3013 -10.4935 -10.4811
-9.6010 -9.5904 -9.5373 -9.5107 -4.4212 -4.4192 -4.4097 -4.4053
-3.3387 -3.3200 -1.4513 -1.3716 -0.9733 -0.9527 -0.6976 -0.6489
0.4389 0.4689 0.9701 0.9747 1.1492 1.1634 1.3255 1.3290
2.4224 2.4229 2.6354 2.6482 3.1548 3.1636 3.2678 3.2736
3.4755 3.4908 3.7729 3.7729 3.9259 3.9265 4.0174 4.0235
7.4648 7.4659 9.3521 9.3599 10.0631 10.0708 10.4169 10.4219
11.6970 11.6991
k = 0.0908 0.1472-0.0000 ( 4996 PWs) bands (ev):
-13.4332 -13.4328 -12.7218 -12.7216 -11.2950 -11.2933 -10.5576 -10.5458
-9.5949 -9.5835 -9.5066 -9.4791 -4.4483 -4.4474 -4.3956 -4.3912
-3.2546 -3.2350 -1.4895 -1.4090 -1.0002 -0.9771 -0.6668 -0.6193
0.4932 0.5254 0.9812 0.9865 1.0937 1.1092 1.2850 1.2898
2.4269 2.4278 2.6275 2.6414 3.1053 3.1132 3.2810 3.2871
3.4583 3.4725 3.7659 3.7661 3.9243 3.9251 4.0273 4.0332
7.5271 7.5285 9.3887 9.3972 10.0764 10.0850 10.4308 10.4364
11.6459 11.6469
k = 0.0999 0.1620-0.0000 ( 4988 PWs) bands (ev):
-13.4219 -13.4216 -12.7223 -12.7220 -11.2863 -11.2845 -10.6218 -10.6107
-9.5883 -9.5760 -9.4788 -9.4506 -4.4726 -4.4724 -4.3797 -4.3751
-3.1689 -3.1485 -1.5273 -1.4465 -1.0295 -1.0037 -0.6330 -0.5870
0.5497 0.5838 0.9927 0.9992 1.0338 1.0501 1.2414 1.2478
2.4300 2.4313 2.6204 2.6354 3.0518 3.0590 3.2938 3.3005
3.4435 3.4564 3.7587 3.7590 3.9227 3.9235 4.0367 4.0421
7.5932 7.5948 9.4271 9.4361 10.0910 10.1006 10.4447 10.4509
11.5938 11.5941
k = 0.1090 0.1767-0.0000 ( 4992 PWs) bands (ev):
-13.4098 -13.4094 -12.7228 -12.7225 -11.2768 -11.2747 -10.6860 -10.6756
-9.5812 -9.5679 -9.4541 -9.4252 -4.4940 -4.4936 -4.3625 -4.3576
-3.0818 -3.0606 -1.5642 -1.4834 -1.0608 -1.0326 -0.5964 -0.5521
0.6078 0.6436 0.9672 0.9861 1.0073 1.0130 1.1950 1.2032
2.4313 2.4328 2.6146 2.6304 2.9964 3.0030 3.3043 3.3119
3.4316 3.4430 3.7513 3.7517 3.9209 3.9218 4.0455 4.0507
7.6623 7.6644 9.4669 9.4762 10.1069 10.1174 10.4580 10.4649
11.5410 11.5411
k = 0.1181 0.1914-0.0000 ( 5002 PWs) bands (ev):
-13.3967 -13.3963 -12.7233 -12.7230 -11.2663 -11.2640 -10.7501 -10.7403
-9.5737 -9.5594 -9.4325 -9.4031 -4.5125 -4.5115 -4.3440 -4.3387
-2.9936 -2.9715 -1.5996 -1.5191 -1.0942 -1.0635 -0.5571 -0.5146
0.6671 0.7039 0.8991 0.9178 1.0200 1.0272 1.1464 1.1565
2.4302 2.4317 2.6104 2.6265 2.9400 2.9463 3.3110 3.3197
3.4233 3.4331 3.7438 3.7443 3.9191 3.9200 4.0539 4.0588
7.7341 7.7366 9.5075 9.5171 10.1241 10.1355 10.4701 10.4777
11.4877 11.4881
k = 0.1272 0.2061-0.0000 ( 5016 PWs) bands (ev):
-13.3828 -13.3824 -12.7239 -12.7236 -11.2549 -11.2524 -10.8140 -10.8047
-9.5657 -9.5504 -9.4140 -9.3842 -4.5278 -4.5265 -4.3242 -4.3186
-2.9042 -2.8814 -1.6333 -1.5532 -1.1295 -1.0962 -0.5152 -0.4744
0.7271 0.7606 0.8306 0.8452 1.0330 1.0418 1.0961 1.1087
2.4265 2.4276 2.6079 2.6241 2.8837 2.8898 3.3128 3.3228
3.4196 3.4276 3.7363 3.7369 3.9173 3.9182 4.0620 4.0665
7.8080 7.8110 9.5487 9.5584 10.1426 10.1550 10.4803 10.4885
11.4349 11.4352
k = 0.1362 0.2208-0.0000 ( 5012 PWs) bands (ev):
-13.3682 -13.3677 -12.7246 -12.7243 -11.2425 -11.2398 -10.8774 -10.8687
-9.5573 -9.5410 -9.3986 -9.3684 -4.5404 -4.5387 -4.3032 -4.2974
-2.8141 -2.7905 -1.6647 -1.5853 -1.1664 -1.1307 -0.4707 -0.4317
0.7394 0.7680 0.7874 0.8363 1.0377 1.0406 1.0609 1.0681
2.4198 2.4202 2.6071 2.6231 2.8279 2.8340 3.3096 3.3205
3.4203 3.4270 3.7290 3.7298 3.9155 3.9165 4.0695 4.0738
7.8835 7.8870 9.5900 9.5998 10.1624 10.1759 10.4876 10.4966
11.3830 11.3831
k = 0.1453 0.2356-0.0000 ( 5000 PWs) bands (ev):
-13.3528 -13.3523 -12.7252 -12.7250 -11.2291 -11.2262 -10.9404 -10.9323
-9.5485 -9.5313 -9.3861 -9.3556 -4.5503 -4.5484 -4.2811 -4.2750
-2.7233 -2.6990 -1.6937 -1.6150 -1.2049 -1.1668 -0.4238 -0.3866
0.6609 0.6875 0.8454 0.8954 0.9912 0.9989 1.0701 1.0749
2.4096 2.4102 2.6076 2.6232 2.7734 2.7797 3.3025 3.3139
3.4243 3.4303 3.7220 3.7228 3.9138 3.9148 4.0765 4.0806
7.9601 7.9642 9.6312 9.6409 10.1838 10.1981 10.4911 10.5009
11.3326 11.3328
k = 0.1544 0.2503-0.0000 ( 5008 PWs) bands (ev):
-13.3367 -13.3362 -12.7260 -12.7257 -11.2146 -11.2115 -11.0028 -10.9952
-9.5395 -9.5213 -9.3766 -9.3459 -4.5579 -4.5558 -4.2579 -4.2516
-2.6322 -2.6071 -1.7197 -1.6420 -1.2447 -1.2042 -0.3746 -0.3390
0.5762 0.6030 0.8889 0.9450 0.9534 0.9587 1.0844 1.0910
2.3959 2.3976 2.6088 2.6240 2.7206 2.7275 3.2932 3.3045
3.4302 3.4359 3.7154 3.7163 3.9124 3.9134 4.0828 4.0867
8.0374 8.0421 9.6721 9.6817 10.2067 10.2219 10.4896 10.5002
11.2845 11.2853
k = 0.1635 0.2650-0.0000 ( 5000 PWs) bands (ev):
-13.3201 -13.3195 -12.7268 -12.7265 -11.1992 -11.1958 -11.0645 -11.0574
-9.5302 -9.5110 -9.3698 -9.3391 -4.5635 -4.5612 -4.2337 -4.2273
-2.5407 -2.5150 -1.7425 -1.6658 -1.2856 -1.2427 -0.3232 -0.2892
0.4878 0.5149 0.8630 0.8926 0.9837 1.0181 1.1005 1.1076
2.3793 2.3821 2.6092 2.6243 2.6709 2.6789 3.2828 3.2938
3.4368 3.4426 3.7092 3.7102 3.9112 3.9122 4.0883 4.0919
8.1151 8.1205 9.7126 9.7219 10.2312 10.2473 10.4821 10.4934
11.2399 11.2415
k = 0.1726 0.2797-0.0000 ( 5002 PWs) bands (ev):
-13.3028 -13.3023 -12.7276 -12.7274 -11.1828 -11.1791 -11.1253 -11.1187
-9.5207 -9.5006 -9.3658 -9.3351 -4.5674 -4.5650 -4.2086 -4.2021
-2.4493 -2.4229 -1.7618 -1.6863 -1.3273 -1.2822 -0.2696 -0.2373
0.3961 0.4235 0.8102 0.8378 1.0395 1.0761 1.1194 1.1245
2.3597 2.3638 2.6021 2.6113 2.6372 2.6406 3.2722 3.2827
3.4434 3.4495 3.7037 3.7047 3.9104 3.9113 4.0926 4.0961
8.1928 8.1988 9.7526 9.7615 10.2575 10.2744 10.4674 10.4795
11.1998 11.2023
k = 0.1817 0.2945-0.0000 ( 4990 PWs) bands (ev):
-13.2851 -13.2845 -12.7285 -12.7283 -11.1862 -11.1795 -11.1644 -11.1609
-9.5111 -9.4901 -9.3643 -9.3336 -4.5698 -4.5674 -4.1828 -4.1761
-2.3582 -2.3310 -1.7772 -1.7030 -1.3697 -1.3223 -0.2142 -0.1835
0.3015 0.3290 0.7541 0.7825 1.0965 1.1184 1.1424 1.1533
2.3373 2.3425 2.5707 2.5721 2.6281 2.6340 3.2620 3.2720
3.4497 3.4560 3.6989 3.6998 3.9101 3.9110 4.0956 4.0991
8.2701 8.2769 9.7922 9.8006 10.2856 10.3030 10.4449 10.4576
11.1650 11.1686
k = 0.1907 0.3092-0.0000 ( 4996 PWs) bands (ev):
-13.2669 -13.2663 -12.7295 -12.7292 -11.2449 -11.2389 -11.1460 -11.1421
-9.5015 -9.4796 -9.3651 -9.3347 -4.5712 -4.5688 -4.1562 -4.1494
-2.2677 -2.2395 -1.7884 -1.7158 -1.4123 -1.3628 -0.1571 -0.1280
0.2043 0.2318 0.6972 0.7269 1.1391 1.1440 1.1696 1.2078
2.3116 2.3180 2.5294 2.5338 2.6271 2.6347 3.2526 3.2619
3.4553 3.4621 3.6949 3.6958 3.9104 3.9112 4.0972 4.1006
8.3468 8.3544 9.8314 9.8392 10.3155 10.3329 10.4147 10.4273
11.1358 11.1407
k = 0.1998 0.3239-0.0000 ( 5004 PWs) bands (ev):
-13.2484 -13.2478 -12.7305 -12.7302 -11.3029 -11.2973 -11.1262 -11.1219
-9.4919 -9.4692 -9.3682 -9.3380 -4.5717 -4.5694 -4.1291 -4.1223
-2.1782 -2.1488 -1.7949 -1.7242 -1.4550 -1.4034 -0.0987 -0.0717
0.1054 0.1321 0.6401 0.6714 1.1551 1.1667 1.2205 1.2657
2.2826 2.2900 2.4919 2.4976 2.6274 2.6352 3.2442 3.2528
3.4601 3.4673 3.6918 3.6926 3.9114 3.9121 4.0971 4.1005
8.4226 8.4310 9.8702 9.8775 10.3470 10.3580 10.3829 10.3890
11.1124 11.1184
k = 0.2089 0.3386-0.0000 ( 4996 PWs) bands (ev):
-13.2296 -13.2290 -12.7315 -12.7312 -11.3599 -11.3547 -11.1051 -11.1005
-9.4825 -9.4590 -9.3732 -9.3434 -4.5718 -4.5695 -4.1015 -4.0947
-2.0905 -2.0594 -1.7961 -1.7279 -1.4974 -1.4437 -0.0403 -0.0255
0.0159 0.0315 0.5832 0.6161 1.1697 1.1828 1.2766 1.3233
2.2501 2.2582 2.4591 2.4655 2.6274 2.6350 3.2369 3.2448
3.4642 3.4718 3.6897 3.6904 3.9132 3.9138 4.0951 4.0986
8.4973 8.5065 9.9090 9.9156 10.3251 10.3413 10.3822 10.4035
11.0941 11.1012
k = 0.2180 0.3534-0.0000 ( 4994 PWs) bands (ev):
-13.2106 -13.2099 -12.7325 -12.7323 -11.4157 -11.4108 -11.0828 -11.0779
-9.4733 -9.4490 -9.3802 -9.3507 -4.5716 -4.5694 -4.0736 -4.0668
-2.0059 -1.9719 -1.7904 -1.7262 -1.5390 -1.4835 -0.1054 -0.0763
0.0244 0.0516 0.5267 0.5611 1.1833 1.1973 1.3324 1.3801
2.2142 2.2228 2.4312 2.4379 2.6263 2.6338 3.2310 3.2380
3.4673 3.4755 3.6887 3.6893 3.9160 3.9165 4.0912 4.0947
8.5708 8.5808 9.9477 9.9536 10.2729 10.2887 10.4174 10.4385
11.0802 11.0881
k = 0.2271 0.3681-0.0000 ( 4998 PWs) bands (ev):
-13.1914 -13.1908 -12.7336 -12.7334 -11.4702 -11.4657 -11.0593 -11.0541
-9.4645 -9.4394 -9.3888 -9.3598 -4.5715 -4.5693 -4.0455 -4.0387
-1.9281 -1.8880 -1.7746 -1.7174 -1.5796 -1.5223 -0.2096 -0.1811
0.0848 0.1107 0.4707 0.5066 1.1961 1.2109 1.3874 1.4358
2.1756 2.1843 2.4079 2.4147 2.6241 2.6313 3.2264 3.2326
3.4696 3.4782 3.6889 3.6892 3.9198 3.9202 4.0852 4.0888
8.6428 8.6537 9.9864 9.9917 10.2147 10.2301 10.4549 10.4760
11.0694 11.0778
k = 0.2362 0.3828-0.0000 ( 4988 PWs) bands (ev):
-13.1722 -13.1715 -12.7347 -12.7346 -11.5235 -11.5193 -11.0345 -11.0290
-9.4561 -9.4304 -9.3988 -9.3704 -4.5716 -4.5695 -4.0173 -4.0106
-1.8648 -1.8127 -1.7411 -1.6970 -1.6186 -1.5598 -0.3161 -0.2881
0.1459 0.1709 0.4154 0.4526 1.2082 1.2237 1.4412 1.4902
2.1347 2.1434 2.3887 2.3954 2.6207 2.6276 3.2232 3.2286
3.4710 3.4801 3.6903 3.6903 3.9249 3.9251 4.0770 4.0807
8.7132 8.7250 10.0253 10.0297 10.1523 10.1671 10.4942 10.5153
11.0605 11.0689
k = 0.2452 0.3975-0.0000 ( 4992 PWs) bands (ev):
-13.1530 -13.1523 -12.7359 -12.7357 -11.5754 -11.5715 -11.0085 -11.0027
-9.4483 -9.4219 -9.4102 -9.3824 -4.5721 -4.5701 -3.9892 -3.9827
-1.8221 -1.7566 -1.6838 -1.6557 -1.6541 -1.5955 -0.4237 -0.3963
0.2063 0.2310 0.3613 0.3992 1.2196 1.2358 1.4937 1.5432
2.0923 2.1008 2.3732 2.3797 2.6159 2.6226 3.2213 3.2259
3.4715 3.4811 3.6925 3.6928 3.9312 3.9313 4.0666 4.0704
8.7820 8.7946 10.0643 10.0645 10.0898 10.1006 10.5353 10.5563
11.0516 11.0590
k = 0.2543 0.4122-0.0000 ( 5004 PWs) bands (ev):
-13.1339 -13.1332 -12.7370 -12.7369 -11.6259 -11.6223 -10.9812 -10.9750
-9.4412 -9.4227 -9.4141 -9.3955 -4.5732 -4.5712 -3.9612 -3.9549
-1.7923 -1.7213 -1.6899 -1.6296 -1.6115 -1.5872 -0.5322 -0.5053
0.2609 0.2899 0.3128 0.3466 1.2306 1.2474 1.5448 1.5948
2.0488 2.0571 2.3608 2.3671 2.6098 2.6163 3.2208 3.2246
3.4711 3.4813 3.6960 3.6967 3.9389 3.9389 4.0539 4.0579
8.8491 8.8625 10.0156 10.0313 10.1036 10.1087 10.5781 10.5989
11.0391 11.0444
k = 0.2634 0.4270-0.0000 ( 5006 PWs) bands (ev):
-13.1149 -13.1142 -12.7381 -12.7380 -11.6749 -11.6716 -10.9526 -10.9461
-9.4362 -9.4348 -9.4096 -9.4072 -4.5750 -4.5730 -3.9337 -3.9275
-1.7681 -1.7183 -1.6931 -1.6607 -1.5337 -1.5110 -0.6412 -0.6149
0.2462 0.2930 0.3325 0.3491 1.2416 1.2588 1.5944 1.6448
2.0049 2.0129 2.3513 2.3573 2.6025 2.6087 3.2215 3.2245
3.4699 3.4805 3.7008 3.7018 3.9479 3.9480 4.0391 4.0432
8.9144 8.9287 9.9457 9.9605 10.1426 10.1467 10.6226 10.6429
11.0165 11.0190
k = 0.2725 0.4417-0.0000 ( 4998 PWs) bands (ev):
-13.0962 -13.0954 -12.7393 -12.7392 -11.7225 -11.7193 -10.9228 -10.9159
-9.4503 -9.4295 -9.4246 -9.4013 -4.5775 -4.5756 -3.9065 -3.9006
-1.7654 -1.7210 -1.6894 -1.6644 -1.4549 -1.4326 -0.7505 -0.7248
0.1953 0.2415 0.3865 0.4040 1.2529 1.2705 1.6425 1.6932
1.9608 1.9686 2.3443 2.3501 2.5940 2.5999 3.2234 3.2256
3.4679 3.4790 3.7068 3.7082 3.9584 3.9585 4.0221 4.0263
8.9780 8.9930 9.8744 9.8885 10.1814 10.1849 10.6686 10.6883
10.9738 10.9758
k = 0.2816 0.4564-0.0000 ( 4992 PWs) bands (ev):
-13.0778 -13.0770 -12.7404 -12.7403 -11.7685 -11.7655 -10.8916 -10.8843
-9.4651 -9.4402 -9.4251 -9.3964 -4.5808 -4.5789 -3.8799 -3.8742
-1.7864 -1.7147 -1.6938 -1.6334 -1.3765 -1.3544 -0.8596 -0.8347
0.1432 0.1902 0.4388 0.4559 1.2652 1.2832 1.6888 1.7398
1.9169 1.9243 2.3396 2.3453 2.5845 2.5901 3.2263 3.2278
3.4649 3.4765 3.7141 3.7160 3.9704 3.9705 4.0030 4.0073
9.0397 9.0555 9.8025 9.8160 10.2196 10.2228 10.7160 10.7348
10.9097 10.9146
k = 0.2906 0.4711-0.0000 ( 4990 PWs) bands (ev):
-13.0597 -13.0589 -12.7415 -12.7415 -11.8128 -11.8101 -10.8592 -10.8515
-9.4803 -9.4562 -9.4219 -9.3928 -4.5849 -4.5830 -3.8540 -3.8485
-1.8081 -1.7366 -1.6593 -1.5992 -1.2996 -1.2775 -0.9683 -0.9443
0.0911 0.1391 0.4869 0.5033 1.2794 1.2975 1.7332 1.7846
1.8736 1.8806 2.3373 2.3427 2.5741 2.5793 3.2302 3.2310
3.4612 3.4733 3.7228 3.7250 3.9813 3.9839 3.9847 3.9864
9.0997 9.1162 9.7306 9.7434 10.2570 10.2599 10.7649 10.7802
10.8337 10.8442
k = 0.2997 0.4859-0.0000 ( 4982 PWs) bands (ev):
-13.0421 -13.0413 -12.7425 -12.7425 -11.8556 -11.8531 -10.8255 -10.8174
-9.4959 -9.4727 -9.4200 -9.3906 -4.5898 -4.5878 -3.8287 -3.8235
-1.8268 -1.7549 -1.6206 -1.5617 -1.2248 -1.2024 -1.0759 -1.0533
0.0391 0.0884 0.5293 0.5448 1.2961 1.3143 1.7748 1.8246
1.8320 1.8403 2.3371 2.3423 2.5630 2.5678 3.2348 3.2350
3.4567 3.4692 3.7328 3.7354 3.9590 3.9637 3.9988 3.9989
9.1578 9.1750 9.6590 9.6711 10.2933 10.2960 10.7539 10.7587
10.8150 10.8372
k = 0.3088 0.5006-0.0000 ( 4998 PWs) bands (ev):
-13.0250 -13.0242 -12.7436 -12.7435 -11.8967 -11.8944 -10.7906 -10.7820
-9.5116 -9.4893 -9.4196 -9.3898 -4.5953 -4.5934 -3.8041 -3.7991
-1.8419 -1.7695 -1.5784 -1.5208 -1.1891 -1.1612 -1.1454 -1.1295
-0.0126 0.0378 0.5649 0.5793 1.3164 1.3345 1.7836 1.7937
1.8220 1.8698 2.3389 2.3438 2.5512 2.5556 3.2398 3.2402
3.4514 3.4643 3.7442 3.7471 3.9344 3.9393 4.0149 4.0150
9.2141 9.2318 9.5882 9.5996 10.3281 10.3308 10.6743 10.6823
10.8661 10.8854
k = 0.3179 0.5153-0.0000 ( 4986 PWs) bands (ev):
-13.0084 -13.0076 -12.7445 -12.7444 -11.9361 -11.9339 -10.7545 -10.7455
-9.5274 -9.5060 -9.4206 -9.3907 -4.6015 -4.5995 -3.7801 -3.7754
-1.8532 -1.7804 -1.5331 -1.4768 -1.2906 -1.2676 -1.0781 -1.0589
-0.0643 -0.0126 0.5925 0.6059 1.3409 1.3588 1.7450 1.7523
1.8586 1.9087 2.3426 2.3473 2.5391 2.5429 3.2452 3.2462
3.4452 3.4586 3.7570 3.7601 3.9083 3.9134 4.0320 4.0323
9.2686 9.2868 9.5184 9.5292 10.3611 10.3638 10.5968 10.6058
10.9181 10.9360
k = 0.3270 0.5300-0.0000 ( 4982 PWs) bands (ev):
-12.9925 -12.9917 -12.7454 -12.7453 -11.9737 -11.9717 -10.7172 -10.7077
-9.5431 -9.5226 -9.4234 -9.3932 -4.6083 -4.6063 -3.7567 -3.7522
-1.8610 -1.7883 -1.4865 -1.4298 -1.3916 -1.3715 -1.0098 -0.9908
-0.1159 -0.0631 0.6114 0.6237 1.3701 1.3876 1.7055 1.7119
1.8953 1.9456 2.3482 2.3525 2.5268 2.5299 3.2511 3.2526
3.4383 3.4521 3.7712 3.7745 3.8810 3.8862 4.0501 4.0506
9.3212 9.3398 9.4501 9.4602 10.3915 10.3943 10.5228 10.5321
10.9706 10.9874
k = 0.3361 0.5448-0.0000 ( 4988 PWs) bands (ev):
-12.9773 -12.9765 -12.7462 -12.7461 -12.0096 -12.0078 -10.6788 -10.6688
-9.5586 -9.5390 -9.4278 -9.3976 -4.6155 -4.6135 -3.7337 -3.7294
-1.8664 -1.7944 -1.5004 -1.4716 -1.4263 -1.3797 -0.9439 -0.9254
-0.1676 -0.1136 0.6212 0.6325 1.4038 1.4209 1.6671 1.6729
1.9302 1.9804 2.3555 2.3593 2.5144 2.5168 3.2575 3.2594
3.4307 3.4449 3.7868 3.7901 3.8526 3.8580 4.0688 4.0696
9.3710 9.3843 9.3896 9.3939 10.4142 10.4175 10.4581 10.4668
11.0233 11.0391
k = 0.3451 0.5595-0.0000 ( 4976 PWs) bands (ev):
-12.9628 -12.9620 -12.7469 -12.7467 -12.0437 -12.0420 -10.6393 -10.6289
-9.5737 -9.5552 -9.4342 -9.4040 -4.6231 -4.6211 -3.7109 -3.7069
-1.8717 -1.8028 -1.5913 -1.5632 -1.3752 -1.3273 -0.8806 -0.8629
-0.2195 -0.1644 0.6222 0.6326 1.4415 1.4579 1.6305 1.6353
1.9629 2.0129 2.3643 2.3675 2.5023 2.5038 3.2642 3.2665
3.4222 3.4367 3.8036 3.8069 3.8235 3.8291 4.0879 4.0890
9.3185 9.3274 9.4207 9.4396 10.3766 10.3841 10.4552 10.4597
11.0758 11.0908
k = 0.3451 0.5595-0.0000 ( 4976 PWs) bands (ev):
-12.9628 -12.9620 -12.7469 -12.7467 -12.0437 -12.0420 -10.6393 -10.6289
-9.5737 -9.5552 -9.4342 -9.4040 -4.6231 -4.6211 -3.7109 -3.7069
-1.8717 -1.8028 -1.5913 -1.5632 -1.3752 -1.3273 -0.8806 -0.8629
-0.2195 -0.1644 0.6222 0.6326 1.4415 1.4579 1.6305 1.6353
1.9629 2.0129 2.3643 2.3675 2.5023 2.5038 3.2642 3.2665
3.4222 3.4367 3.8036 3.8069 3.8235 3.8291 4.0879 4.0890
9.3185 9.3274 9.4207 9.4396 10.3766 10.3841 10.4552 10.4597
11.0758 11.0908
k = 0.3279 0.5595-0.0000 ( 4993 PWs) bands (ev):
-12.9707 -12.9698 -12.7474 -12.7472 -12.0243 -12.0225 -10.6606 -10.6504
-9.5657 -9.5467 -9.4305 -9.4003 -4.6188 -4.6168 -3.7240 -3.7199
-1.8689 -1.7981 -1.5496 -1.5229 -1.3989 -1.3517 -0.9109 -0.8924
-0.1908 -0.1363 0.6226 0.6335 1.4198 1.4366 1.6488 1.6540
1.9464 1.9961 2.3608 2.3646 2.5092 2.5112 3.2610 3.2631
3.4260 3.4403 3.7923 3.7954 3.8415 3.8466 4.0776 4.0785
9.3456 9.3535 9.4020 9.4191 10.3968 10.4190 10.4406 10.4639
11.0484 11.0633
k = 0.3106 0.5595-0.0000 ( 4988 PWs) bands (ev):
-12.9792 -12.9783 -12.7495 -12.7493 -12.0011 -11.9993 -10.6826 -10.6727
-9.5575 -9.5380 -9.4271 -9.3969 -4.6140 -4.6120 -3.7395 -3.7353
-1.8675 -1.7960 -1.5232 -1.4993 -1.4054 -1.3650 -0.9352 -0.9155
-0.1596 -0.1057 0.6206 0.6320 1.3960 1.4130 1.6655 1.6703
1.9313 1.9798 2.3601 2.3651 2.5174 2.5196 3.2586 3.2604
3.4278 3.4417 3.7806 3.7840 3.8599 3.8647 4.0672 4.0680
9.3455 9.3521 9.4119 9.4196 10.3947 10.4252 10.4587 10.4920
11.0216 11.0358
k = 0.2934 0.5595-0.0000 ( 4992 PWs) bands (ev):
-12.9881 -12.9872 -12.7530 -12.7528 -11.9747 -11.9727 -10.7055 -10.6958
-9.5491 -9.5291 -9.4240 -9.3939 -4.6085 -4.6066 -3.7572 -3.7529
-1.8671 -1.7958 -1.5205 -1.4978 -1.3908 -1.3634 -0.9506 -0.9296
-0.1264 -0.0730 0.6165 0.6284 1.3701 1.3872 1.6785 1.6821
1.9201 1.9658 2.3622 2.3683 2.5266 2.5290 3.2567 3.2584
3.4268 3.4403 3.7705 3.7743 3.8764 3.8810 4.0577 4.0584
9.3238 9.3340 9.4356 9.4399 10.3852 10.4110 10.4998 10.5297
10.9963 11.0096
k = 0.2761 0.5595-0.0000 ( 4992 PWs) bands (ev):
-12.9973 -12.9965 -12.7576 -12.7574 -11.9453 -11.9433 -10.7291 -10.7197
-9.5405 -9.5201 -9.4212 -9.3912 -4.6025 -4.6006 -3.7769 -3.7727
-1.8677 -1.7975 -1.5343 -1.5093 -1.3703 -1.3517 -0.9546 -0.9326
-0.0916 -0.0386 0.6106 0.6231 1.3422 1.3593 1.6840 1.6879
1.9157 1.9566 2.3667 2.3739 2.5368 2.5393 3.2554 3.2568
3.4229 3.4357 3.7625 3.7667 3.8897 3.8941 4.0504 4.0510
9.3000 9.3114 9.4591 9.4631 10.3750 10.3986 10.5414 10.5703
10.9729 10.9856
k = 0.2589 0.5595-0.0000 ( 4990 PWs) bands (ev):
-13.0066 -13.0058 -12.7630 -12.7628 -11.9135 -11.9114 -10.7536 -10.7445
-9.5319 -9.5110 -9.4187 -9.3888 -4.5957 -4.5939 -3.7985 -3.7943
-1.8694 -1.8013 -1.5532 -1.5271 -1.3546 -1.3393 -0.9459 -0.9237
-0.0553 -0.0030 0.6033 0.6166 1.3125 1.3296 1.6785 1.6869
1.9203 1.9545 2.3732 2.3815 2.5479 2.5504 3.2544 3.2555
3.4157 3.4277 3.7569 3.7615 3.8981 3.9022 4.0471 4.0478
9.2773 9.2890 9.4800 9.4839 10.3660 10.3882 10.5829 10.6115
10.9520 10.9645
k = 0.2416 0.5595-0.0000 ( 4994 PWs) bands (ev):
-13.0158 -13.0150 -12.7691 -12.7689 -11.8797 -11.8775 -10.7789 -10.7700
-9.5232 -9.5019 -9.4165 -9.3868 -4.5883 -4.5865 -3.8218 -3.8176
-1.8721 -1.8070 -1.5728 -1.5476 -1.3459 -1.3306 -0.9255 -0.9038
-0.0181 0.0338 0.5950 0.6091 1.2812 1.2982 1.6631 1.6772
1.9337 1.9608 2.3813 2.3904 2.5598 2.5621 3.2533 3.2542
3.4055 3.4167 3.7537 3.7585 3.9004 3.9039 4.0491 4.0499
9.2565 9.2681 9.4976 9.5014 10.3588 10.3799 10.6232 10.6519
10.9343 10.9468
k = 0.2243 0.5595-0.0000 ( 4995 PWs) bands (ev):
-13.0249 -13.0242 -12.7755 -12.7753 -11.8443 -11.8420 -10.8049 -10.7964
-9.5145 -9.4929 -9.4145 -9.3851 -4.5800 -4.5783 -3.8463 -3.8423
-1.8760 -1.8147 -1.5922 -1.5690 -1.3420 -1.3256 -0.8958 -0.8752
0.0200 0.0713 0.5861 0.6010 1.2486 1.2655 1.6402 1.6592
1.9539 1.9747 2.3904 2.4003 2.5724 2.5746 3.2517 3.2526
3.3930 3.4031 3.7523 3.7572 3.8966 3.8996 4.0564 4.0576
9.2379 9.2492 9.5118 9.5154 10.3539 10.3740 10.6614 10.6902
10.9208 10.9333
k = 0.2071 0.5595-0.0000 ( 4998 PWs) bands (ev):
-13.0337 -13.0330 -12.7820 -12.7818 -11.8077 -11.8052 -10.8318 -10.8236
-9.5060 -9.4840 -9.4129 -9.3837 -4.5709 -4.5693 -3.8720 -3.8681
-1.8809 -1.8241 -1.6114 -1.5907 -1.3403 -1.3227 -0.8603 -0.8409
0.0587 0.1094 0.5770 0.5929 1.2149 1.2317 1.6121 1.6347
1.9787 1.9944 2.4002 2.4106 2.5856 2.5876 3.2488 3.2502
3.3792 3.3881 3.7522 3.7569 3.8884 3.8908 4.0678 4.0692
9.2215 9.2324 9.5225 9.5259 10.3512 10.3703 10.6962 10.7247
10.9129 10.9251
k = 0.1898 0.5595-0.0000 ( 4996 PWs) bands (ev):
-13.0422 -13.0415 -12.7885 -12.7883 -11.7702 -11.7676 -10.8594 -10.8514
-9.4976 -9.4754 -9.4115 -9.3826 -4.5611 -4.5596 -3.8985 -3.8948
-1.8866 -1.8346 -1.6304 -1.6124 -1.3386 -1.3202 -0.8215 -0.8037
0.0977 0.1478 0.5680 0.5849 1.1805 1.1971 1.5807 1.6057
2.0063 2.0181 2.4103 2.4211 2.5993 2.6012 3.2438 3.2461
3.3654 3.3730 3.7523 3.7566 3.8780 3.8797 4.0817 4.0832
9.2075 9.2179 9.5300 9.5332 10.3507 10.3688 10.7258 10.7529
10.9126 10.9234
k = 0.1726 0.5595-0.0000 ( 4999 PWs) bands (ev):
-13.0501 -13.0495 -12.7949 -12.7947 -11.7322 -11.7294 -10.8876 -10.8800
-9.4894 -9.4669 -9.4104 -9.3819 -4.5505 -4.5491 -3.9254 -3.9220
-1.8927 -1.8459 -1.6492 -1.6337 -1.3357 -1.3171 -0.7818 -0.7655
0.1367 0.1861 0.5594 0.5775 1.1459 1.1623 1.5476 1.5738
2.0352 2.0441 2.4203 2.4312 2.6135 2.6153 3.2357 3.2392
3.3534 3.3594 3.7517 3.7553 3.8672 3.8683 4.0966 4.0982
9.1958 9.2055 9.5346 9.5376 10.3521 10.3691 10.7487 10.7727
10.9217 10.9295
k = 0.1553 0.5595-0.0000 ( 4991 PWs) bands (ev):
-13.0576 -13.0570 -12.8009 -12.8007 -11.6940 -11.6911 -10.9163 -10.9090
-9.4815 -9.4589 -9.4097 -9.3816 -4.5392 -4.5379 -3.9524 -3.9493
-1.8990 -1.8573 -1.6677 -1.6544 -1.3311 -1.3131 -0.7427 -0.7280
0.1755 0.2241 0.5514 0.5708 1.1114 1.1275 1.5137 1.5403
2.0646 2.0712 2.4299 2.4408 2.6279 2.6298 3.2238 3.2285
3.3444 3.3489 3.7492 3.7519 3.8578 3.8586 4.1117 4.1133
9.1861 9.1952 9.5368 9.5396 10.3552 10.3709 10.7643 10.7839
10.9398 10.9434
k = 0.1381 0.5595-0.0000 ( 4998 PWs) bands (ev):
-13.0644 -13.0639 -12.8065 -12.8063 -11.6560 -11.6530 -10.9453 -10.9384
-9.4739 -9.4513 -9.4091 -9.3816 -4.5273 -4.5261 -3.9791 -3.9763
-1.9052 -1.8685 -1.6854 -1.6741 -1.3250 -1.3080 -0.7053 -0.6923
0.2138 0.2614 0.5441 0.5651 1.0775 1.0933 1.4801 1.5064
2.0936 2.0983 2.4389 2.4495 2.6424 2.6445 3.2081 3.2138
3.3389 3.3420 3.7440 3.7457 3.8507 3.8518 4.1262 4.1277
9.1785 9.1868 9.5370 9.5396 10.3596 10.3739 10.7737 10.7890
10.9635 10.9637
k = 0.1208 0.5595-0.0000 ( 4995 PWs) bands (ev):
-13.0706 -13.0701 -12.8116 -12.8114 -11.6185 -11.6155 -10.9744 -10.9679
-9.4667 -9.4442 -9.4088 -9.3821 -4.5151 -4.5140 -4.0052 -4.0026
-1.9110 -1.8792 -1.7021 -1.6924 -1.3177 -1.3023 -0.6707 -0.6593
0.2512 0.2977 0.5376 0.5602 1.0449 1.0602 1.4476 1.4728
2.1214 2.1247 2.4472 2.4572 2.6568 2.6592 3.1897 3.1960
3.3366 3.3386 3.7360 3.7368 3.8464 3.8481 4.1398 4.1412
9.1726 9.1802 9.5357 9.5381 10.3648 10.3776 10.7790 10.7909
10.9871 10.9900
k = 0.1035 0.5595-0.0000 ( 5002 PWs) bands (ev):
-13.0761 -13.0757 -12.8161 -12.8160 -11.5822 -11.5791 -11.0032 -10.9971
-9.4599 -9.4379 -9.4086 -9.3829 -4.5027 -4.5017 -4.0300 -4.0277
-1.9161 -1.8891 -1.7172 -1.7091 -1.3099 -1.2963 -0.6394 -0.6298
0.2874 0.3326 0.5318 0.5560 1.0143 1.0288 1.4170 1.4406
2.1474 2.1495 2.4545 2.4637 2.6708 2.6735 3.1699 3.1764
3.3364 3.3378 3.7258 3.7260 3.8448 3.8467 4.1521 4.1533
9.1683 9.1749 9.5335 9.5356 10.3705 10.3817 10.7821 10.7915
11.0115 11.0160
k = 0.0863 0.5595-0.0000 ( 5004 PWs) bands (ev):
-13.0808 -13.0804 -12.8200 -12.8199 -11.5476 -11.5446 -11.0311 -11.0256
-9.4536 -9.4325 -9.4083 -9.3841 -4.4906 -4.4897 -4.0529 -4.0510
-1.9204 -1.8981 -1.7305 -1.7239 -1.3021 -1.2905 -0.6121 -0.6041
0.3219 0.3654 0.5262 0.5521 0.9864 0.9999 1.3893 1.4105
2.1709 2.1721 2.4609 2.4691 2.6842 2.6870 3.1501 3.1564
3.3377 3.3387 3.7145 3.7149 3.8449 3.8469 4.1628 4.1639
9.1653 9.1710 9.5307 9.5325 10.3763 10.3858 10.7841 10.7915
11.0348 11.0400
k = 0.0690 0.5595-0.0000 ( 5001 PWs) bands (ev):
-13.0846 -13.0844 -12.8233 -12.8232 -11.5155 -11.5127 -11.0574 -11.0525
-9.4478 -9.4286 -9.4074 -9.3858 -4.4792 -4.4785 -4.0734 -4.0719
-1.9237 -1.9059 -1.7417 -1.7364 -1.2947 -1.2853 -0.5891 -0.5828
0.3542 0.3957 0.5205 0.5478 0.9621 0.9741 1.3654 1.3836
2.1912 2.1919 2.4662 2.4732 2.6965 2.6992 3.1318 3.1375
3.3398 3.3404 3.7036 3.7041 3.8460 3.8478 4.1718 4.1727
9.1634 9.1680 9.5278 9.5293 10.3817 10.3894 10.7857 10.7915
11.0558 11.0609
k = 0.0518 0.5595-0.0000 ( 5005 PWs) bands (ev):
-13.0877 -13.0875 -12.8259 -12.8258 -11.4873 -11.4848 -11.0808 -11.0768
-9.4425 -9.4265 -9.4057 -9.3879 -4.4691 -4.4686 -4.0906 -4.0894
-1.9259 -1.9126 -1.7504 -1.7465 -1.2882 -1.2811 -0.5708 -0.5661
0.3839 0.4223 0.5146 0.5424 0.9425 0.9523 1.3462 1.3606
2.2077 2.2081 2.4706 2.4761 2.7071 2.7096 3.1161 3.1208
3.3420 3.3424 3.6942 3.6947 3.8475 3.8489 4.1790 4.1797
9.1623 9.1659 9.5252 9.5264 10.3865 10.3924 10.7871 10.7913
11.0734 11.0777
k = 0.0345 0.5595-0.0000 ( 5011 PWs) bands (ev):
-13.0899 -13.0897 -12.8277 -12.8277 -11.4646 -11.4626 -11.0996 -11.0967
-9.4377 -9.4264 -9.4030 -9.3904 -4.4612 -4.4608 -4.1037 -4.1029
-1.9268 -1.9180 -1.7566 -1.7540 -1.2830 -1.2782 -0.5574 -0.5542
0.4102 0.4429 0.5094 0.5351 0.9283 0.9354 1.3326 1.3426
2.2199 2.2202 2.4740 2.4778 2.7156 2.7174 3.1042 3.1076
3.3439 3.3442 3.6869 3.6873 3.8489 3.8498 4.1842 4.1847
9.1619 9.1643 9.5232 9.5240 10.3905 10.3944 10.7883 10.7911
11.0867 11.0899
k = 0.0173 0.5595-0.0000 ( 5013 PWs) bands (ev):
-13.0912 -13.0911 -12.8288 -12.8288 -11.4493 -11.4483 -11.1119 -11.1104
-9.4337 -9.4278 -9.3998 -9.3933 -4.4560 -4.4558 -4.1118 -4.1114
-1.9265 -1.9221 -1.7601 -1.7588 -1.2792 -1.2768 -0.5490 -0.5474
0.4321 0.4527 0.5088 0.5259 0.9203 0.9241 1.3252 1.3304
2.2275 2.2277 2.4764 2.4784 2.7212 2.7222 3.0970 3.0988
3.3453 3.3454 3.6823 3.6826 3.8499 3.8504 4.1875 4.1877
9.1620 9.1631 9.5220 9.5224 10.3933 10.3953 10.7893 10.7907
11.0953 11.0970
k = 0.0000 0.5595-0.0000 ( 5016 PWs) bands (ev):
-13.0916 -13.0916 -12.8292 -12.8292 -11.4436 -11.4436 -11.1157 -11.1157
-9.4303 -9.4303 -9.3964 -9.3964 -4.4541 -4.4541 -4.1145 -4.1145
-1.9250 -1.9250 -1.7609 -1.7609 -1.2772 -1.2772 -0.5456 -0.5456
0.4477 0.4477 0.5157 0.5157 0.9189 0.9189 1.3244 1.3244
2.2301 2.2301 2.4779 2.4779 2.7235 2.7235 3.0951 3.0951
3.3458 3.3458 3.6809 3.6809 3.8504 3.8504 4.1886 4.1886
9.1624 9.1624 9.5217 9.5217 10.3949 10.3949 10.7901 10.7901
11.0988 11.0988
k = 0.0000 0.5595-0.0000 ( 5016 PWs) bands (ev):
-13.0916 -13.0916 -12.8292 -12.8292 -11.4436 -11.4436 -11.1157 -11.1157
-9.4303 -9.4303 -9.3964 -9.3964 -4.4541 -4.4541 -4.1145 -4.1145
-1.9250 -1.9250 -1.7609 -1.7609 -1.2772 -1.2772 -0.5456 -0.5456
0.4477 0.4477 0.5157 0.5157 0.9189 0.9189 1.3244 1.3244
2.2301 2.2301 2.4779 2.4779 2.7235 2.7235 3.0951 3.0951
3.3458 3.3458 3.6809 3.6809 3.8504 3.8504 4.1886 4.1886
9.1624 9.1624 9.5217 9.5217 10.3949 10.3949 10.7901 10.7901
11.0988 11.0988
k = 0.0000 0.5595 0.0173 ( 5014 PWs) bands (ev):
-13.0913 -13.0912 -12.8291 -12.8291 -11.4428 -11.4428 -11.1152 -11.1151
-9.4325 -9.4320 -9.3986 -9.3984 -4.4526 -4.4525 -4.1129 -4.1120
-1.9222 -1.9221 -1.7626 -1.7618 -1.2765 -1.2758 -0.5525 -0.5496
0.4490 0.4517 0.5154 0.5160 0.9190 0.9197 1.3255 1.3264
2.2302 2.2310 2.4724 2.4729 2.7266 2.7273 3.0951 3.0955
3.3449 3.3450 3.6813 3.6819 3.8507 3.8509 4.1883 4.1884
9.1597 9.1615 9.5200 9.5204 10.3722 10.3788 10.8078 10.8129
11.0796 11.0872
k = 0.0000 0.5595 0.0346 ( 5010 PWs) bands (ev):
-13.0902 -13.0902 -12.8290 -12.8290 -11.4404 -11.4404 -11.1137 -11.1135
-9.4385 -9.4376 -9.4049 -9.4046 -4.4480 -4.4478 -4.1071 -4.1054
-1.9138 -1.9135 -1.7670 -1.7656 -1.2737 -1.2723 -0.5699 -0.5642
0.4556 0.4603 0.5156 0.5162 0.9200 0.9214 1.3294 1.3313
2.2314 2.2330 2.4574 2.4582 2.7357 2.7371 3.0954 3.0963
3.3423 3.3425 3.6833 3.6844 3.8519 3.8522 4.1876 4.1878
9.1535 9.1570 9.5152 9.5159 10.3210 10.3322 10.8578 10.8656
11.0472 11.0566
k = 0.0000 0.5595 0.0519 ( 5004 PWs) bands (ev):
-13.0885 -13.0885 -12.8289 -12.8289 -11.4364 -11.4364 -11.1110 -11.1107
-9.4484 -9.4469 -9.4153 -9.4148 -4.4403 -4.4399 -4.0972 -4.0947
-1.8998 -1.8994 -1.7746 -1.7723 -1.2683 -1.2662 -0.5970 -0.5888
0.4669 0.4716 0.5164 0.5174 0.9218 0.9239 1.3361 1.3388
2.2334 2.2359 2.4345 2.4358 2.7492 2.7512 3.0961 3.0974
3.3379 3.3383 3.6866 3.6881 3.8539 3.8544 4.1864 4.1868
9.1441 9.1492 9.5073 9.5083 10.2562 10.2703 10.9246 10.9326
11.0134 11.0220
k = 0.0000 0.5595 0.0692 ( 5004 PWs) bands (ev):
-13.0861 -13.0861 -12.8286 -12.8286 -11.4308 -11.4308 -11.1073 -11.1069
-9.4620 -9.4601 -9.4297 -9.4291 -4.4296 -4.4291 -4.0834 -4.0800
-1.8806 -1.8798 -1.7857 -1.7825 -1.2597 -1.2569 -0.6325 -0.6224
0.4814 0.4824 0.5169 0.5231 0.9246 0.9273 1.3452 1.3486
2.2362 2.2395 2.4058 2.4076 2.7652 2.7678 3.0973 3.0989
3.3320 3.3325 3.6908 3.6927 3.8570 3.8575 4.1848 4.1852
9.1319 9.1386 9.4964 9.4973 10.1866 10.2029 10.9698 10.9815
11.0043 11.0158
k = 0.0000 0.5595 0.0865 ( 5002 PWs) bands (ev):
-13.0830 -13.0830 -12.8284 -12.8284 -11.4236 -11.4236 -11.1025 -11.1019
-9.4792 -9.4768 -9.4480 -9.4472 -4.4160 -4.4154 -4.0657 -4.0615
-1.8567 -1.8552 -1.8005 -1.7961 -1.2472 -1.2438 -0.6752 -0.6635
0.4890 0.4968 0.5194 0.5354 0.9284 0.9315 1.3562 1.3603
2.2396 2.2437 2.3728 2.3750 2.7826 2.7857 3.0989 3.1008
3.3245 3.3251 3.6955 3.6977 3.8613 3.8619 4.1826 4.1832
9.1175 9.1257 9.4824 9.4831 10.1171 10.1355 10.9398 10.9511
11.0765 11.0878
k = 0.0000 0.5595 0.1038 ( 4998 PWs) bands (ev):
-13.0793 -13.0793 -12.8281 -12.8280 -11.4148 -11.4148 -11.0966 -11.0959
-9.4999 -9.4970 -9.4699 -9.4689 -4.3995 -4.3987 -4.0443 -4.0393
-1.8339 -1.8304 -1.8149 -1.8082 -1.2301 -1.2263 -0.7236 -0.7108
0.4917 0.5068 0.5292 0.5531 0.9331 0.9365 1.3685 1.3732
2.2431 2.2479 2.3368 2.3393 2.8004 2.8039 3.1009 3.1031
3.3156 3.3163 3.7002 3.7026 3.8670 3.8676 4.1800 4.1808
9.1016 9.1111 9.4653 9.4654 10.0505 10.0711 10.9077 10.9185
11.1505 11.1612
k = 0.0000 0.5595 0.1211 ( 4992 PWs) bands (ev):
-13.0750 -13.0749 -12.8278 -12.8277 -11.4044 -11.4044 -11.0895 -11.0888
-9.5239 -9.5206 -9.4954 -9.4942 -4.3802 -4.3794 -4.0194 -4.0136
-1.8470 -1.8449 -1.7880 -1.7865 -1.2080 -1.2037 -0.7766 -0.7630
0.4926 0.5100 0.5467 0.5732 0.9388 0.9424 1.3816 1.3868
2.2464 2.2516 2.2988 2.3012 2.8181 2.8219 3.1036 3.1059
3.3053 3.3062 3.7045 3.7069 3.8743 3.8747 4.1769 4.1778
9.0849 9.0957 9.4446 9.4452 9.9886 10.0114 10.8766 10.8871
11.2209 11.2311
k = 0.0000 0.5595 0.1384 ( 4986 PWs) bands (ev):
-13.0701 -13.0700 -12.8275 -12.8274 -11.3924 -11.3923 -11.0814 -11.0805
-9.5511 -9.5473 -9.5241 -9.5227 -4.3583 -4.3574 -3.9911 -3.9846
-1.8758 -1.8722 -1.7493 -1.7492 -1.1806 -1.1759 -0.8326 -0.8188
0.4931 0.5114 0.5663 0.5937 0.9454 0.9491 1.3949 1.4005
2.2474 2.2483 2.2631 2.2656 2.8355 2.8396 3.1068 3.1091
3.2939 3.2948 3.7078 3.7101 3.8831 3.8833 4.1732 4.1742
9.0682 9.0801 9.4207 9.4223 9.9325 9.9577 10.8468 10.8569
11.2859 11.2955
k = 0.0000 0.5595 0.1557 ( 4988 PWs) bands (ev):
-13.0646 -13.0645 -12.8272 -12.8272 -11.3787 -11.3786 -11.0721 -11.0711
-9.5812 -9.5771 -9.5558 -9.5543 -4.3338 -4.3329 -3.9597 -3.9525
-1.9097 -1.9054 -1.7075 -1.7068 -1.1477 -1.1428 -0.8903 -0.8766
0.4939 0.5128 0.5856 0.6134 0.9529 0.9565 1.4076 1.4135
2.2133 2.2179 2.2532 2.2619 2.8522 2.8565 3.1106 3.1129
3.2816 3.2826 3.7098 3.7119 3.8934 3.8935 4.1691 4.1702
9.0523 9.0654 9.3945 9.3972 9.8830 9.9106 10.8180 10.8279
11.3442 11.3533
k = 0.0000 0.5595 0.1730 ( 4990 PWs) bands (ev):
-13.0586 -13.0584 -12.8270 -12.8270 -11.3635 -11.3634 -11.0617 -11.0606
-9.6142 -9.6097 -9.5902 -9.5885 -4.3069 -4.3060 -3.9255 -3.9176
-1.9479 -1.9432 -1.6633 -1.6618 -1.1095 -1.1048 -0.9476 -0.9347
0.4952 0.5146 0.6037 0.6317 0.9613 0.9645 1.4190 1.4252
2.1715 2.1761 2.2533 2.2628 2.8682 2.8727 3.1149 3.1171
3.2686 3.2697 3.7102 3.7120 3.9049 3.9051 4.1644 4.1657
9.0381 9.0521 9.3667 9.3707 9.8402 9.8702 10.7903 10.7999
11.3950 11.4036
k = 0.0000 0.5595 0.1903 ( 4990 PWs) bands (ev):
-13.0520 -13.0519 -12.8269 -12.8269 -11.3466 -11.3464 -11.0501 -11.0490
-9.6498 -9.6450 -9.6269 -9.6251 -4.2778 -4.2768 -3.8886 -3.8801
-1.9902 -1.9851 -1.6188 -1.6162 -1.0666 -1.0639 -1.0002 -0.9905
0.4971 0.5170 0.6203 0.6481 0.9704 0.9731 1.4284 1.4350
2.1291 2.1337 2.2518 2.2622 2.8834 2.8880 3.1197 3.1215
3.2554 3.2565 3.7090 3.7105 3.9175 3.9178 4.1593 4.1607
9.0262 9.0411 9.3387 9.3437 9.8042 9.8363 10.7635 10.7727
11.4381 11.4465
k = 0.0000 0.5595 0.2076 ( 4986 PWs) bands (ev):
-13.0450 -13.0449 -12.8270 -12.8269 -11.3281 -11.3279 -11.0374 -11.0361
-9.6879 -9.6830 -9.6655 -9.6638 -4.2465 -4.2455 -3.8493 -3.8402
-2.0358 -2.0306 -1.5775 -1.5732 -1.0611 -1.0464 -1.0132 -1.0037
0.4999 0.5201 0.6351 0.6625 0.9800 0.9820 1.4351 1.4420
2.0869 2.0915 2.2479 2.2593 2.8975 2.9022 3.1246 3.1259
3.2428 3.2437 3.7062 3.7073 3.9308 3.9313 4.1537 4.1553
9.0173 9.0332 9.3116 9.3175 9.7744 9.8084 10.7374 10.7462
11.4737 11.4820
k = 0.0000 0.5595 0.2249 ( 4986 PWs) bands (ev):
-13.0376 -13.0374 -12.8271 -12.8271 -11.3079 -11.3077 -11.0235 -11.0222
-9.7283 -9.7235 -9.7056 -9.7041 -4.2131 -4.2122 -3.8079 -3.7983
-2.0844 -2.0791 -1.5453 -1.5385 -1.0952 -1.0841 -0.9623 -0.9535
0.5033 0.5240 0.6478 0.6747 0.9898 0.9911 1.4382 1.4455
2.0458 2.0501 2.2412 2.2536 2.9107 2.9154 3.1289 3.1294
3.2316 3.2323 3.7016 3.7024 3.9446 3.9452 4.1477 4.1495
9.0120 9.0288 9.2867 9.2934 9.7502 9.7860 10.7117 10.7200
11.5022 11.5108
k = 0.0000 0.5595 0.2422 ( 4990 PWs) bands (ev):
-13.0298 -13.0296 -12.8275 -12.8275 -11.2861 -11.2859 -11.0085 -11.0070
-9.7708 -9.7663 -9.7470 -9.7459 -4.1778 -4.1769 -3.7646 -3.7545
-2.1354 -2.1301 -1.5306 -1.5205 -1.1118 -1.1043 -0.9048 -0.8961
0.5076 0.5285 0.6586 0.6847 0.9997 1.0003 1.4369 1.4448
2.0063 2.0103 2.2312 2.2445 2.9226 2.9275 3.1307 3.1312
3.2235 3.2237 3.6955 3.6959 3.9585 3.9592 4.1415 4.1434
9.0108 9.0286 9.2655 9.2727 9.7311 9.7684 10.6862 10.6940
11.5244 11.5334
k = 0.0000 0.5595 0.2595 ( 4988 PWs) bands (ev):
-13.0217 -13.0215 -12.8281 -12.8280 -11.2628 -11.2626 -10.9922 -10.9907
-9.8152 -9.8111 -9.7893 -9.7887 -4.1407 -4.1398 -3.7198 -3.7093
-2.1883 -2.1830 -1.5402 -1.5268 -1.1017 -1.0975 -0.8431 -0.8341
0.5125 0.5336 0.6673 0.6927 1.0092 1.0094 1.4303 1.4388
1.9694 1.9730 2.2175 2.2318 2.9334 2.9383 3.1283 3.1300
3.2198 3.2203 3.6879 3.6880 3.9723 3.9730 4.1351 4.1371
9.0141 9.0330 9.2487 9.2564 9.7164 9.7550 10.6607 10.6679
11.5407 11.5505
k = 0.0000 0.5595 0.2768 ( 4988 PWs) bands (ev):
-13.0133 -13.0131 -12.8289 -12.8288 -11.2378 -11.2376 -10.9749 -10.9732
-9.8613 -9.8576 -9.8324 -9.8324 -4.1018 -4.1011 -3.6738 -3.6629
-2.2424 -2.2373 -1.5730 -1.5574 -1.0656 -1.0637 -0.7776 -0.7683
0.5181 0.5393 0.6741 0.6986 1.0175 1.0185 1.4177 1.4270
1.9358 1.9387 2.2001 2.2152 2.9428 2.9478 3.1215 3.1243
3.2218 3.2228 3.6787 3.6788 3.9857 3.9864 4.1286 4.1307
9.0222 9.0422 9.2374 9.2453 9.7057 9.7454 10.6349 10.6414
11.5516 11.5623
k = 0.0000 0.5595 0.2941 ( 4988 PWs) bands (ev):
-13.0046 -13.0044 -12.8300 -12.8299 -11.2113 -11.2110 -10.9563 -10.9546
-9.9087 -9.9055 -9.8767 -9.8762 -4.0614 -4.0607 -3.6268 -3.6156
-2.2973 -2.2925 -1.6221 -1.6054 -1.0105 -1.0097 -0.7090 -0.6993
0.5241 0.5454 0.6791 0.7027 1.0251 1.0267 1.3986 1.4087
1.9060 1.9082 2.1790 2.1948 2.9509 2.9559 3.1110 3.1145
3.2292 3.2304 3.6681 3.6685 3.9985 3.9992 4.1221 4.1243
9.0353 9.0564 9.2322 9.2402 9.6985 9.7392 10.6084 10.6142
11.5573 11.5684
k = 0.0000 0.5595 0.3114 ( 4998 PWs) bands (ev):
-12.9958 -12.9955 -12.8314 -12.8313 -11.1832 -11.1829 -10.9366 -10.9348
-9.9572 -9.9544 -9.9214 -9.9205 -4.0194 -4.0188 -3.5794 -3.5680
-2.3524 -2.3478 -1.6810 -1.6638 -0.9431 -0.9427 -0.6376 -0.6274
0.5305 0.5518 0.6822 0.7049 1.0316 1.0336 1.3727 1.3837
1.8804 1.8819 2.1541 2.1706 2.9577 2.9627 3.0983 3.1023
3.2405 3.2416 3.6564 3.6570 4.0106 4.0111 4.1158 4.1181
9.0534 9.0757 9.2334 9.2414 9.6945 9.7361 10.5810 10.5859
11.5393 11.5540
k = 0.0000 0.5595 0.3287 ( 4988 PWs) bands (ev):
-12.9868 -12.9866 -12.8332 -12.8331 -11.1536 -11.1533 -10.9159 -10.9140
-10.0065 -10.0039 -9.9664 -9.9652 -3.9760 -3.9755 -3.5320 -3.5205
-2.4068 -2.4027 -1.7456 -1.7282 -0.8677 -0.8674 -0.5640 -0.5533
0.5370 0.5582 0.6837 0.7054 1.0367 1.0390 1.3402 1.3521
1.8591 1.8598 2.1260 2.1430 2.9631 2.9682 3.0845 3.0889
3.2545 3.2555 3.6437 3.6445 4.0218 4.0222 4.1098 4.1121
9.0763 9.1000 9.2413 9.2491 9.6935 9.7358 10.5522 10.5563
11.4764 11.4954
k = 0.0000 0.5595 0.3461 ( 4988 PWs) bands (ev):
-12.9777 -12.9775 -12.8353 -12.8351 -11.1226 -11.1222 -10.8941 -10.8921
-10.0561 -10.0538 -10.0114 -10.0099 -3.9312 -3.9309 -3.4852 -3.4737
-2.4598 -2.4563 -1.8133 -1.7959 -0.7870 -0.7867 -0.4888 -0.4776
0.5435 0.5645 0.6835 0.7043 1.0400 1.0424 1.3018 1.3146
1.8416 1.8417 2.0951 2.1124 2.9672 2.9724 3.0704 3.0751
3.2702 3.2711 3.6302 3.6312 4.0319 4.0323 4.1041 4.1066
9.1038 9.1290 9.2559 9.2632 9.6952 9.7380 10.5216 10.5248
11.4119 11.4316
k = 0.0000 0.5595 0.3634 ( 4984 PWs) bands (ev):
-12.9686 -12.9684 -12.8377 -12.8376 -11.0901 -11.0897 -10.8715 -10.8694
-10.1058 -10.1038 -10.0563 -10.0545 -3.8853 -3.8851 -3.4400 -3.4286
-2.5104 -2.5076 -1.8827 -1.8655 -0.7029 -0.7023 -0.4127 -0.4010
0.5498 0.5702 0.6818 0.7015 1.0412 1.0434 1.2586 1.2723
1.8270 1.8276 2.0620 2.0795 2.9700 2.9753 3.0565 3.0614
3.2872 3.2878 3.6161 3.6172 4.0411 4.0413 4.0990 4.1014
9.1356 9.1624 9.2768 9.2834 9.6995 9.7426 10.4888 10.4911
11.3470 11.3675
k = 0.0000 0.5595 0.3807 ( 4984 PWs) bands (ev):
-12.9595 -12.9593 -12.8406 -12.8404 -11.0564 -11.0559 -10.8480 -10.8459
-10.1553 -10.1534 -10.1008 -10.0988 -3.8383 -3.8382 -3.3974 -3.3864
-2.5572 -2.5553 -1.9528 -1.9358 -0.6165 -0.6156 -0.3365 -0.3243
0.5554 0.5750 0.6785 0.6970 1.0398 1.0416 1.2119 1.2263
1.8152 1.8164 2.0276 2.0450 2.9718 2.9772 3.0432 3.0483
3.3049 3.3053 3.6015 3.6026 4.0491 4.0492 4.0945 4.0969
9.1710 9.1995 9.3037 9.3092 9.7063 9.7494 10.4532 10.4548
11.2831 11.3046
k = 0.0000 0.5595 0.3980 ( 4990 PWs) bands (ev):
-12.9505 -12.9502 -12.8439 -12.8437 -11.0215 -11.0209 -10.8241 -10.8218
-10.2040 -10.2023 -10.1448 -10.1426 -3.7904 -3.7903 -3.3590 -3.3487
-2.5985 -2.5977 -2.0232 -2.0064 -0.5290 -0.5278 -0.2612 -0.2485
0.5600 0.5784 0.6737 0.6908 1.0356 1.0368 1.1633 1.1783
1.8058 1.8076 1.9927 2.0099 2.9727 2.9781 3.0307 3.0360
3.3230 3.3233 3.5865 3.5877 4.0560 4.0561 4.0906 4.0929
9.2095 9.2398 9.3357 9.3395 9.7158 9.7583 10.4144 10.4153
11.2214 11.2445
k = 0.0000 0.5595 0.4153 ( 4990 PWs) bands (ev):
-12.9415 -12.9413 -12.8476 -12.8474 -10.9855 -10.9849 -10.8000 -10.7977
-10.2514 -10.2498 -10.1878 -10.1856 -3.7417 -3.7416 -3.3270 -3.3176
-2.6326 -2.6319 -2.0931 -2.0766 -0.4413 -0.4398 -0.1879 -0.1749
0.5632 0.5796 0.6673 0.6826 1.0280 1.0286 1.1149 1.1300
1.7984 1.8008 1.9585 1.9752 2.9728 2.9784 3.0192 3.0247
3.3413 3.3414 3.5713 3.5725 4.0617 4.0619 4.0873 4.0896
9.2500 9.2822 9.3716 9.3729 9.7282 9.7694 10.3720 10.3723
11.1636 11.1886
k = 0.0000 0.5595 0.4326 ( 4982 PWs) bands (ev):
-12.9328 -12.9325 -12.8517 -12.8515 -10.9486 -10.9480 -10.7764 -10.7741
-10.2968 -10.2953 -10.2298 -10.2274 -3.6925 -3.6922 -3.3037 -3.2957
-2.6575 -2.6549 -2.1623 -2.1460 -0.3545 -0.3526 -0.1183 -0.1052
0.5645 0.5782 0.6589 0.6724 1.0166 1.0168 1.0694 1.0838
1.7927 1.7958 1.9259 1.9418 2.9724 2.9781 3.0088 3.0145
3.3595 3.3596 3.5560 3.5571 4.0664 4.0668 4.0847 4.0869
9.2917 9.3257 9.4075 9.4096 9.7445 9.7833 10.3256 10.3256
11.1113 11.1386
k = 0.0000 0.5595 0.4499 ( 4978 PWs) bands (ev):
-12.9242 -12.9239 -12.8562 -12.8560 -10.9112 -10.9105 -10.7542 -10.7519
-10.3390 -10.3376 -10.2702 -10.2678 -3.6429 -3.6425 -3.2917 -3.2853
-2.6697 -2.6649 -2.2303 -2.2143 -0.2697 -0.2675 -0.0544 -0.0416
0.5637 0.5738 0.6481 0.6600 0.9997 1.0014 1.0310 1.0422
1.7888 1.7926 1.8958 1.9108 2.9718 2.9775 2.9997 3.0054
3.3774 3.3776 3.5405 3.5417 4.0700 4.0706 4.0827 4.0848
9.3333 9.3691 9.4404 9.4475 9.7657 9.8007 10.2749 10.2751
11.0662 11.0962
k = 0.0000 0.5595 0.4672 ( 4982 PWs) bands (ev):
-12.9158 -12.9156 -12.8612 -12.8610 -10.8736 -10.8729 -10.7351 -10.7328
-10.3763 -10.3749 -10.3087 -10.3063 -3.5932 -3.5928 -3.2926 -3.2880
-2.6675 -2.6605 -2.2967 -2.2811 -0.1884 -0.1860 0.0008 0.0127
0.5609 0.5668 0.6343 0.6452 0.9767 0.9825 1.0040 1.0084
1.7867 1.7912 1.8690 1.8828 2.9711 2.9770 2.9919 2.9977
3.3950 3.3954 3.5250 3.5262 4.0729 4.0736 4.0812 4.0832
9.3733 9.4108 9.4686 9.4821 9.7936 9.8231 10.2207 10.2207
11.0300 11.0628
k = 0.0000 0.5595 0.4845 ( 4982 PWs) bands (ev):
-12.9078 -12.9075 -12.8667 -12.8665 -10.8366 -10.8357 -10.7216 -10.7194
-10.4062 -10.4047 -10.3445 -10.3422 -3.5438 -3.5434 -3.3062 -3.3032
-2.6510 -2.6419 -2.3610 -2.3458 -0.1124 -0.1100 0.0436 0.0536
0.5578 0.5590 0.6171 0.6282 0.9551 0.9625 0.9833 0.9840
1.7865 1.7919 1.8460 1.8586 2.9707 2.9767 2.9853 2.9912
3.4123 3.4128 3.5095 3.5105 4.0749 4.0759 4.0801 4.0821
9.4105 9.4491 9.4889 9.5096 9.8295 9.8524 10.1630 10.1635
11.0043 11.0399
k = 0.0000 0.5595 0.5018 ( 4984 PWs) bands (ev):
-12.9000 -12.8997 -12.8725 -12.8723 -10.8010 -10.8000 -10.7168 -10.7149
-10.4252 -10.4235 -10.3767 -10.3744 -3.4952 -3.4949 -3.3310 -3.3293
-2.6217 -2.6109 -2.4226 -2.4080 -0.0440 -0.0421 0.0691 0.0763
0.5536 0.5572 0.5977 0.6095 0.9418 0.9473 0.9642 0.9667
1.7885 1.7949 1.8270 1.8383 2.9708 2.9768 2.9801 2.9861
3.4292 3.4298 3.4938 3.4948 4.0764 4.0775 4.0794 4.0812
9.4431 9.4824 9.4992 9.5270 9.8737 9.8900 10.1030 10.1046
10.9902 11.0284
k = 0.0000 0.5595 0.5191 ( 4986 PWs) bands (ev):
-12.8926 -12.8923 -12.8788 -12.8786 -10.7685 -10.7673 -10.7235 -10.7218
-10.4306 -10.4288 -10.4035 -10.4013 -3.4483 -3.4482 -3.3645 -3.3637
-2.5820 -2.5699 -2.4808 -2.4668 0.0132 0.0141 0.0731 0.0770
0.5542 0.5622 0.5785 0.5906 0.9378 0.9402 0.9499 0.9522
1.7932 1.8006 1.8121 1.8220 2.9717 2.9762 2.9777 2.9822
3.4458 3.4465 3.4780 3.4789 4.0774 4.0787 4.0788 4.0804
9.4697 9.4990 9.5085 9.5323 9.9252 9.9359 10.0421 10.0456
10.9884 11.0226
k = 0.0000 0.5595 0.5364 ( 4980 PWs) bands (ev):
-12.8855 -12.8855 -12.8853 -12.8853 -10.7416 -10.7416 -10.7402 -10.7402
-10.4226 -10.4226 -10.4205 -10.4205 -3.4042 -3.4042 -3.4040 -3.4040
-2.5344 -2.5344 -2.5212 -2.5212 0.0540 0.0540 0.0550 0.0550
0.5629 0.5629 0.5739 0.5739 0.9414 0.9414 0.9419 0.9419
1.8009 1.8009 1.8095 1.8095 2.9734 2.9734 2.9794 2.9794
3.4620 3.4620 3.4629 3.4629 4.0782 4.0782 4.0797 4.0797
9.4888 9.4888 9.5258 9.5258 9.9821 9.9821 9.9885 9.9885
10.9993 10.9993
k = 0.0000 0.5595 0.5364 ( 4980 PWs) bands (ev):
-12.8855 -12.8855 -12.8853 -12.8853 -10.7416 -10.7416 -10.7402 -10.7402
-10.4226 -10.4226 -10.4205 -10.4205 -3.4042 -3.4042 -3.4040 -3.4040
-2.5344 -2.5344 -2.5212 -2.5212 0.0540 0.0540 0.0550 0.0550
0.5629 0.5629 0.5739 0.5739 0.9414 0.9414 0.9419 0.9419
1.8009 1.8009 1.8095 1.8095 2.9734 2.9734 2.9794 2.9794
3.4620 3.4620 3.4629 3.4629 4.0782 4.0782 4.0797 4.0797
9.4888 9.4888 9.5258 9.5258 9.9821 9.9821 9.9885 9.9885
10.9993 10.9993
k = 0.0173 0.5595 0.5364 ( 4978 PWs) bands (ev):
-12.8852 -12.8852 -12.8850 -12.8850 -10.7438 -10.7438 -10.7422 -10.7422
-10.4209 -10.4209 -10.4188 -10.4188 -3.4033 -3.4033 -3.4024 -3.4024
-2.5358 -2.5358 -2.5226 -2.5226 0.0545 0.0545 0.0559 0.0559
0.5611 0.5611 0.5731 0.5731 0.9409 0.9409 0.9457 0.9457
1.7998 1.7998 1.8085 1.8085 2.9749 2.9749 2.9809 2.9809
3.4621 3.4621 3.4632 3.4632 4.0766 4.0766 4.0782 4.0782
9.4873 9.4873 9.5241 9.5241 9.9830 9.9830 9.9906 9.9906
10.9975 10.9975
k = 0.0345 0.5595 0.5364 ( 4982 PWs) bands (ev):
-12.8844 -12.8844 -12.8841 -12.8841 -10.7501 -10.7501 -10.7481 -10.7481
-10.4161 -10.4161 -10.4137 -10.4137 -3.4000 -3.4000 -3.3982 -3.3982
-2.5398 -2.5398 -2.5265 -2.5265 0.0561 0.0561 0.0583 0.0583
0.5560 0.5560 0.5703 0.5703 0.9434 0.9434 0.9527 0.9527
1.7966 1.7966 1.8053 1.8053 2.9794 2.9794 2.9855 2.9855
3.4624 3.4624 3.4641 3.4641 4.0720 4.0720 4.0737 4.0737
9.4829 9.4829 9.5190 9.5190 9.9860 9.9860 9.9963 9.9963
10.9921 10.9921
k = 0.0518 0.5595 0.5364 ( 4980 PWs) bands (ev):
-12.8831 -12.8831 -12.8827 -12.8827 -10.7600 -10.7600 -10.7577 -10.7577
-10.4084 -10.4084 -10.4058 -10.4058 -3.3943 -3.3943 -3.3916 -3.3916
-2.5463 -2.5463 -2.5331 -2.5331 0.0590 0.0590 0.0621 0.0621
0.5483 0.5483 0.5654 0.5654 0.9491 0.9491 0.9624 0.9624
1.7914 1.7914 1.8002 1.8002 2.9868 2.9868 2.9929 2.9929
3.4632 3.4632 3.4655 3.4655 4.0644 4.0644 4.0663 4.0663
9.4757 9.4757 9.5108 9.5108 9.9915 9.9915 10.0049 10.0049
10.9833 10.9833
k = 0.0690 0.5595 0.5364 ( 4980 PWs) bands (ev):
-12.8812 -12.8812 -12.8808 -12.8808 -10.7730 -10.7730 -10.7703 -10.7703
-10.3983 -10.3983 -10.3954 -10.3954 -3.3864 -3.3864 -3.3828 -3.3828
-2.5553 -2.5553 -2.5420 -2.5420 0.0632 0.0632 0.0673 0.0673
0.5386 0.5386 0.5584 0.5584 0.9576 0.9576 0.9744 0.9744
1.7844 1.7844 1.7933 1.7933 2.9968 2.9968 3.0029 3.0029
3.4644 3.4644 3.4674 3.4674 4.0538 4.0538 4.0561 4.0561
9.4662 9.4662 9.5000 9.5000 9.9995 9.9995 10.0160 10.0160
10.9716 10.9716
k = 0.0863 0.5595 0.5364 ( 4986 PWs) bands (ev):
-12.8788 -12.8788 -12.8784 -12.8784 -10.7886 -10.7886 -10.7855 -10.7855
-10.3863 -10.3863 -10.3832 -10.3832 -3.3764 -3.3764 -3.3719 -3.3719
-2.5664 -2.5664 -2.5531 -2.5531 0.0687 0.0687 0.0738 0.0738
0.5274 0.5274 0.5494 0.5494 0.9685 0.9685 0.9881 0.9881
1.7757 1.7757 1.7849 1.7849 3.0091 3.0091 3.0152 3.0152
3.4661 3.4661 3.4698 3.4698 4.0404 4.0404 4.0430 4.0430
9.4547 9.4547 9.4870 9.4870 10.0098 10.0098 10.0291 10.0291
10.9571 10.9571
k = 0.1035 0.5595 0.5364 ( 4984 PWs) bands (ev):
-12.8760 -12.8760 -12.8755 -12.8755 -10.8061 -10.8061 -10.8028 -10.8028
-10.3728 -10.3728 -10.3696 -10.3696 -3.3646 -3.3646 -3.3593 -3.3593
-2.5795 -2.5795 -2.5661 -2.5661 0.0754 0.0754 0.0816 0.0816
0.5151 0.5151 0.5388 0.5388 0.9815 0.9815 1.0033 1.0033
1.7658 1.7658 1.7751 1.7751 3.0232 3.0232 3.0294 3.0294
3.4686 3.4686 3.4729 3.4729 4.0243 4.0243 4.0274 4.0274
9.4418 9.4418 9.4724 9.4724 10.0222 10.0222 10.0439 10.0439
10.9404 10.9404
k = 0.1208 0.5595 0.5364 ( 4978 PWs) bands (ev):
-12.8727 -12.8727 -12.8722 -12.8722 -10.8252 -10.8252 -10.8217 -10.8217
-10.3583 -10.3583 -10.3549 -10.3549 -3.3515 -3.3515 -3.3453 -3.3453
-2.5940 -2.5940 -2.5805 -2.5805 0.0834 0.0834 0.0907 0.0907
0.5019 0.5019 0.5270 0.5270 0.9959 0.9959 1.0194 1.0194
1.7548 1.7548 1.7643 1.7643 3.0388 3.0388 3.0450 3.0450
3.4718 3.4718 3.4768 3.4768 4.0057 4.0057 4.0092 4.0092
9.4280 9.4280 9.4568 9.4568 10.0364 10.0364 10.0603 10.0603
10.9219 10.9219
k = 0.1381 0.5595 0.5364 ( 4978 PWs) bands (ev):
-12.8690 -12.8690 -12.8684 -12.8684 -10.8455 -10.8455 -10.8418 -10.8418
-10.3430 -10.3430 -10.3395 -10.3395 -3.3374 -3.3374 -3.3304 -3.3304
-2.6096 -2.6096 -2.5960 -2.5960 0.0926 0.0926 0.1011 0.1011
0.4883 0.4883 0.5140 0.5140 1.0113 1.0113 1.0360 1.0360
1.7431 1.7431 1.7528 1.7528 3.0552 3.0552 3.0614 3.0614
3.4760 3.4760 3.4817 3.4817 3.9848 3.9848 3.9887 3.9887
9.4135 9.4135 9.4406 9.4406 10.0522 10.0522 10.0778 10.0778
10.9019 10.9019
k = 0.1553 0.5595 0.5364 ( 4970 PWs) bands (ev):
-12.8650 -12.8650 -12.8644 -12.8644 -10.8665 -10.8665 -10.8627 -10.8627
-10.3272 -10.3272 -10.3237 -10.3237 -3.3231 -3.3231 -3.3153 -3.3153
-2.6256 -2.6256 -2.6118 -2.6118 0.1029 0.1029 0.1127 0.1127
0.4742 0.4742 0.5003 0.5003 1.0274 1.0274 1.0530 1.0530
1.7311 1.7311 1.7409 1.7409 3.0719 3.0719 3.0781 3.0781
3.4814 3.4814 3.4877 3.4877 3.9618 3.9618 3.9661 3.9661
9.3989 9.3989 9.4242 9.4242 10.0694 10.0694 10.0963 10.0963
10.8808 10.8808
k = 0.1726 0.5595 0.5364 ( 4968 PWs) bands (ev):
-12.8607 -12.8607 -12.8600 -12.8600 -10.8881 -10.8881 -10.8842 -10.8842
-10.3111 -10.3111 -10.3075 -10.3075 -3.3092 -3.3092 -3.3007 -3.3007
-2.6413 -2.6413 -2.6273 -2.6273 0.1144 0.1144 0.1255 0.1255
0.4600 0.4600 0.4861 0.4861 1.0438 1.0438 1.0698 1.0698
1.7189 1.7189 1.7289 1.7289 3.0884 3.0884 3.0945 3.0945
3.4881 3.4881 3.4950 3.4950 3.9370 3.9370 3.9417 3.9417
9.3844 9.3844 9.4080 9.4080 10.0876 10.0876 10.1155 10.1155
10.8591 10.8591
k = 0.1898 0.5595 0.5364 ( 4978 PWs) bands (ev):
-12.8561 -12.8561 -12.8554 -12.8554 -10.9099 -10.9099 -10.9060 -10.9060
-10.2948 -10.2948 -10.2912 -10.2912 -3.2968 -3.2968 -3.2876 -3.2876
-2.6556 -2.6556 -2.6415 -2.6415 0.1270 0.1270 0.1394 0.1394
0.4456 0.4456 0.4713 0.4713 1.0601 1.0601 1.0863 1.0863
1.7070 1.7070 1.7171 1.7171 3.1040 3.1040 3.1099 3.1099
3.4966 3.4966 3.5040 3.5040 3.9106 3.9106 3.9157 3.9157
9.3704 9.3704 9.3923 9.3923 10.1066 10.1066 10.1353 10.1353
10.8372 10.8372
k = 0.2071 0.5595 0.5364 ( 4978 PWs) bands (ev):
-12.8514 -12.8514 -12.8507 -12.8507 -10.9318 -10.9318 -10.9279 -10.9279
-10.2784 -10.2784 -10.2749 -10.2749 -3.2867 -3.2867 -3.2771 -3.2771
-2.6675 -2.6675 -2.6533 -2.6533 0.1407 0.1407 0.1545 0.1545
0.4312 0.4312 0.4563 0.4563 1.0759 1.0759 1.1021 1.1021
1.6956 1.6956 1.7057 1.7057 3.1181 3.1181 3.1239 3.1239
3.5070 3.5070 3.5148 3.5148 3.8831 3.8831 3.8886 3.8886
9.3569 9.3569 9.3774 9.3774 10.1263 10.1263 10.1554 10.1554
10.8154 10.8154
k = 0.2243 0.5595 0.5364 ( 4978 PWs) bands (ev):
-12.8466 -12.8466 -12.8459 -12.8459 -10.9536 -10.9536 -10.9497 -10.9497
-10.2620 -10.2620 -10.2585 -10.2585 -3.2803 -3.2803 -3.2704 -3.2704
-2.6758 -2.6758 -2.6616 -2.6616 0.1554 0.1554 0.1707 0.1707
0.4169 0.4169 0.4411 0.4411 1.0910 1.0910 1.1169 1.1169
1.6849 1.6849 1.6950 1.6950 3.1303 3.1303 3.1358 3.1358
3.5195 3.5195 3.5276 3.5276 3.8546 3.8546 3.8605 3.8605
9.3441 9.3441 9.3634 9.3634 10.1463 10.1463 10.1754 10.1754
10.7944 10.7944
k = 0.2416 0.5595 0.5364 ( 4970 PWs) bands (ev):
-12.8418 -12.8418 -12.8410 -12.8410 -10.9750 -10.9750 -10.9711 -10.9711
-10.2457 -10.2457 -10.2422 -10.2422 -3.2787 -3.2787 -3.2687 -3.2687
-2.6793 -2.6793 -2.6652 -2.6652 0.1710 0.1710 0.1879 0.1879
0.4028 0.4028 0.4259 0.4259 1.1050 1.1050 1.1305 1.1305
1.6753 1.6753 1.6852 1.6852 3.1400 3.1400 3.1453 3.1453
3.5342 3.5342 3.5426 3.5426 3.8256 3.8256 3.8319 3.8319
9.3321 9.3321 9.3503 9.3503 10.1661 10.1661 10.1950 10.1950
10.7746 10.7746
k = 0.2589 0.5595 0.5364 ( 4970 PWs) bands (ev):
-12.8371 -12.8371 -12.8363 -12.8363 -10.9958 -10.9958 -10.9919 -10.9919
-10.2295 -10.2295 -10.2260 -10.2260 -3.2828 -3.2828 -3.2730 -3.2730
-2.6772 -2.6772 -2.6632 -2.6632 0.1873 0.1873 0.2061 0.2061
0.3889 0.3889 0.4107 0.4107 1.1176 1.1176 1.1425 1.1425
1.6671 1.6671 1.6766 1.6766 3.1470 3.1470 3.1521 3.1521
3.5512 3.5512 3.5597 3.5597 3.7965 3.7965 3.8032 3.8032
9.3209 9.3209 9.3383 9.3383 10.1854 10.1854 10.2136 10.2136
10.7568 10.7568
k = 0.2761 0.5595 0.5364 ( 4972 PWs) bands (ev):
-12.8325 -12.8325 -12.8317 -12.8317 -11.0160 -11.0160 -11.0122 -11.0122
-10.2134 -10.2134 -10.2100 -10.2100 -3.2933 -3.2933 -3.2840 -3.2840
-2.6687 -2.6687 -2.6550 -2.6550 0.2042 0.2042 0.2251 0.2251
0.3753 0.3753 0.3957 0.3957 1.1286 1.1286 1.1527 1.1527
1.6603 1.6603 1.6695 1.6695 3.1512 3.1512 3.1561 3.1561
3.5703 3.5703 3.5788 3.5788 3.7676 3.7676 3.7746 3.7746
9.3105 9.3105 9.3273 9.3273 10.2035 10.2035 10.2306 10.2306
10.7417 10.7417
k = 0.2934 0.5595 0.5364 ( 4974 PWs) bands (ev):
-12.8282 -12.8282 -12.8274 -12.8274 -11.0353 -11.0353 -11.0315 -11.0315
-10.1974 -10.1974 -10.1941 -10.1941 -3.3103 -3.3103 -3.3015 -3.3015
-2.6540 -2.6540 -2.6406 -2.6406 0.2212 0.2212 0.2447 0.2447
0.3625 0.3625 0.3814 0.3814 1.1375 1.1375 1.1607 1.1607
1.6554 1.6554 1.6640 1.6640 3.1526 3.1526 3.1573 3.1573
3.5911 3.5911 3.5997 3.5997 3.7395 3.7395 3.7467 3.7467
9.3009 9.3009 9.3172 9.3172 10.2196 10.2196 10.2452 10.2452
10.7304 10.7304
k = 0.3106 0.5595 0.5364 ( 4972 PWs) bands (ev):
-12.8242 -12.8242 -12.8234 -12.8234 -11.0536 -11.0536 -11.0498 -11.0498
-10.1817 -10.1817 -10.1783 -10.1783 -3.3335 -3.3335 -3.3254 -3.3254
-2.6334 -2.6334 -2.6201 -2.6201 0.2373 0.2373 0.2643 0.2643
0.3508 0.3508 0.3687 0.3687 1.1439 1.1439 1.1663 1.1663
1.6525 1.6525 1.6605 1.6605 3.1514 3.1514 3.1560 3.1560
3.6130 3.6130 3.6216 3.6216 3.7128 3.7128 3.7201 3.7201
9.2918 9.2918 9.3079 9.3079 10.2327 10.2327 10.2566 10.2566
10.7238 10.7238
k = 0.3279 0.5595 0.5364 ( 4970 PWs) bands (ev):
-12.8206 -12.8206 -12.8198 -12.8198 -11.0707 -11.0707 -11.0670 -11.0670
-10.1661 -10.1661 -10.1628 -10.1628 -3.3625 -3.3625 -3.3550 -3.3550
-2.6076 -2.6076 -2.5944 -2.5944 0.2508 0.2508 0.2822 0.2822
0.3417 0.3417 0.3597 0.3597 1.1477 1.1477 1.1693 1.1693
1.6517 1.6517 1.6592 1.6592 3.1479 3.1479 3.1523 3.1523
3.6337 3.6337 3.6423 3.6423 3.6900 3.6900 3.6967 3.6967
9.2833 9.2833 9.2993 9.2993 10.2419 10.2419 10.2642 10.2642
10.7226 10.7226
k = 0.3451 0.5595 0.5364 ( 4960 PWs) bands (ev):
-12.8175 -12.8175 -12.8168 -12.8168 -11.0864 -11.0864 -11.0829 -11.0829
-10.1507 -10.1507 -10.1474 -10.1474 -3.3963 -3.3963 -3.3893 -3.3893
-2.5774 -2.5774 -2.5642 -2.5642 0.2586 0.2586 0.2930 0.2930
0.3398 0.3398 0.3580 0.3580 1.1484 1.1484 1.1692 1.1692
1.6532 1.6532 1.6606 1.6606 3.1424 3.1424 3.1468 3.1468
3.6413 3.6413 3.6486 3.6486 3.6844 3.6844 3.6880 3.6880
9.2753 9.2753 9.2912 9.2912 10.2461 10.2461 10.2674 10.2674
10.7268 10.7268
k = 0.3451 0.5595 0.5364 ( 4960 PWs) bands (ev):
-12.8175 -12.8175 -12.8168 -12.8168 -11.0864 -11.0864 -11.0829 -11.0829
-10.1507 -10.1507 -10.1474 -10.1474 -3.3963 -3.3963 -3.3893 -3.3893
-2.5774 -2.5774 -2.5642 -2.5642 0.2586 0.2586 0.2930 0.2930
0.3398 0.3398 0.3580 0.3580 1.1484 1.1484 1.1692 1.1692
1.6532 1.6532 1.6606 1.6606 3.1424 3.1424 3.1468 3.1468
3.6413 3.6413 3.6486 3.6486 3.6844 3.6844 3.6880 3.6880
9.2753 9.2753 9.2912 9.2912 10.2461 10.2461 10.2674 10.2674
10.7268 10.7268
k = 0.3361 0.5448 0.5364 ( 4970 PWs) bands (ev):
-12.8230 -12.8230 -12.8222 -12.8222 -11.0569 -11.0569 -11.0532 -11.0532
-10.1801 -10.1801 -10.1768 -10.1768 -3.3265 -3.3265 -3.3186 -3.3186
-2.6399 -2.6399 -2.6270 -2.6270 0.2512 0.2512 0.2853 0.2853
0.3313 0.3313 0.3513 0.3513 1.1492 1.1492 1.1713 1.1713
1.6491 1.6491 1.6564 1.6564 3.1539 3.1539 3.1584 3.1584
3.6538 3.6538 3.6633 3.6633 3.6712 3.6712 3.6730 3.6730
9.2890 9.2890 9.3049 9.3049 10.2430 10.2430 10.2654 10.2654
10.7192 10.7192
k = 0.3270 0.5300 0.5364 ( 4978 PWs) bands (ev):
-12.8287 -12.8287 -12.8279 -12.8279 -11.0259 -11.0259 -11.0220 -11.0220
-10.2098 -10.2098 -10.2064 -10.2064 -3.2549 -3.2549 -3.2462 -3.2462
-2.7049 -2.7049 -2.6923 -2.6923 0.2443 0.2443 0.2780 0.2780
0.3224 0.3224 0.3441 0.3441 1.1481 1.1481 1.1713 1.1713
1.6469 1.6469 1.6543 1.6543 3.1642 3.1642 3.1688 3.1688
3.6510 3.6510 3.6578 3.6578 3.6757 3.6757 3.6804 3.6804
9.2997 9.2997 9.3154 9.3154 10.2387 10.2387 10.2624 10.2624
10.7169 10.7169
k = 0.3179 0.5153 0.5364 ( 4982 PWs) bands (ev):
-12.8347 -12.8347 -12.8338 -12.8338 -10.9936 -10.9936 -10.9895 -10.9895
-10.2396 -10.2396 -10.2362 -10.2362 -3.1820 -3.1820 -3.1724 -3.1724
-2.7720 -2.7720 -2.7598 -2.7598 0.2376 0.2376 0.2710 0.2710
0.3131 0.3131 0.3363 0.3363 1.1454 1.1454 1.1697 1.1697
1.6471 1.6471 1.6544 1.6544 3.1732 3.1732 3.1779 3.1779
3.6399 3.6399 3.6456 3.6456 3.6908 3.6908 3.6968 3.6968
9.3071 9.3071 9.3224 9.3224 10.2329 10.2329 10.2575 10.2575
10.7204 10.7204
k = 0.3088 0.5006 0.5364 ( 4978 PWs) bands (ev):
-12.8409 -12.8409 -12.8401 -12.8401 -10.9599 -10.9599 -10.9557 -10.9557
-10.2693 -10.2693 -10.2660 -10.2660 -3.1080 -3.1080 -3.0974 -3.0974
-2.8412 -2.8412 -2.8295 -2.8295 0.2310 0.2310 0.2641 0.2641
0.3034 0.3034 0.3280 0.3280 1.1412 1.1412 1.1664 1.1664
1.6496 1.6496 1.6569 1.6569 3.1808 3.1808 3.1855 3.1855
3.6297 3.6297 3.6351 3.6351 3.7074 3.7074 3.7139 3.7139
9.3111 9.3111 9.3259 9.3259 10.2248 10.2248 10.2504 10.2504
10.7298 10.7298
k = 0.2997 0.4859 0.5364 ( 4986 PWs) bands (ev):
-12.8474 -12.8474 -12.8465 -12.8465 -10.9249 -10.9249 -10.9206 -10.9206
-10.2990 -10.2990 -10.2956 -10.2956 -3.0335 -3.0335 -3.0216 -3.0216
-2.9119 -2.9119 -2.9011 -2.9011 0.2242 0.2242 0.2571 0.2571
0.2935 0.2935 0.3193 0.3193 1.1358 1.1358 1.1618 1.1618
1.6546 1.6546 1.6620 1.6620 3.1870 3.1870 3.1916 3.1916
3.6213 3.6213 3.6265 3.6265 3.7247 3.7247 3.7315 3.7315
9.3115 9.3115 9.3257 9.3257 10.2139 10.2139 10.2404 10.2404
10.7451 10.7451
k = 0.2906 0.4711 0.5364 ( 4974 PWs) bands (ev):
-12.8542 -12.8542 -12.8532 -12.8532 -10.8888 -10.8888 -10.8843 -10.8843
-10.3284 -10.3284 -10.3251 -10.3251 -2.9885 -2.9885 -2.9753 -2.9753
-2.9543 -2.9543 -2.9443 -2.9443 0.2171 0.2171 0.2498 0.2498
0.2833 0.2833 0.3100 0.3100 1.1295 1.1295 1.1562 1.1562
1.6622 1.6622 1.6696 1.6696 3.1916 3.1916 3.1962 3.1962
3.6148 3.6148 3.6198 3.6198 3.7424 3.7424 3.7494 3.7494
9.3085 9.3085 9.3222 9.3222 10.1998 10.1998 10.2270 10.2270
10.7663 10.7663
k = 0.2816 0.4564 0.5364 ( 4966 PWs) bands (ev):
-12.8611 -12.8611 -12.8602 -12.8602 -10.8515 -10.8515 -10.8469 -10.8469
-10.3575 -10.3575 -10.3542 -10.3542 -3.0603 -3.0603 -3.0496 -3.0496
-2.8811 -2.8811 -2.8682 -2.8682 0.2094 0.2094 0.2420 0.2420
0.2729 0.2729 0.3004 0.3004 1.1225 1.1225 1.1498 1.1498
1.6724 1.6724 1.6800 1.6800 3.1947 3.1947 3.1993 3.1993
3.6102 3.6102 3.6150 3.6150 3.7603 3.7603 3.7676 3.7676
9.3025 9.3025 9.3155 9.3155 10.1821 10.1821 10.2099 10.2099
10.7930 10.7930
k = 0.2725 0.4417 0.5364 ( 4966 PWs) bands (ev):
-12.8683 -12.8683 -12.8673 -12.8673 -10.8131 -10.8131 -10.8084 -10.8084
-10.3862 -10.3862 -10.3829 -10.3829 -3.1357 -3.1357 -3.1257 -3.1257
-2.8057 -2.8057 -2.7915 -2.7915 0.2009 0.2009 0.2336 0.2336
0.2623 0.2623 0.2903 0.2903 1.1153 1.1153 1.1430 1.1430
1.6853 1.6853 1.6929 1.6929 3.1964 3.1964 3.2009 3.2009
3.6075 3.6075 3.6121 3.6121 3.7784 3.7784 3.7859 3.7859
9.2937 9.2937 9.3060 9.3060 10.1606 10.1606 10.1889 10.1889
10.8248 10.8248
k = 0.2634 0.4270 0.5364 ( 4970 PWs) bands (ev):
-12.8756 -12.8756 -12.8746 -12.8746 -10.7738 -10.7738 -10.7690 -10.7690
-10.4143 -10.4143 -10.4110 -10.4110 -3.2122 -3.2122 -3.2030 -3.2030
-2.7305 -2.7305 -2.7151 -2.7151 0.1917 0.1917 0.2243 0.2243
0.2515 0.2515 0.2800 0.2800 1.1081 1.1081 1.1362 1.1362
1.7008 1.7008 1.7085 1.7085 3.1966 3.1966 3.2010 3.2010
3.6067 3.6067 3.6111 3.6111 3.7964 3.7964 3.8042 3.8042
9.2826 9.2826 9.2942 9.2942 10.1351 10.1351 10.1639 10.1639
10.8612 10.8612
k = 0.2543 0.4122 0.5364 ( 4972 PWs) bands (ev):
-12.8831 -12.8831 -12.8821 -12.8821 -10.7336 -10.7336 -10.7286 -10.7286
-10.4417 -10.4417 -10.4386 -10.4386 -3.2897 -3.2897 -3.2811 -3.2811
-2.6557 -2.6557 -2.6392 -2.6392 0.1814 0.1814 0.2140 0.2140
0.2405 0.2405 0.2694 0.2694 1.1013 1.1013 1.1297 1.1297
1.7189 1.7189 1.7268 1.7268 3.1955 3.1955 3.1998 3.1998
3.6077 3.6077 3.6118 3.6118 3.8144 3.8144 3.8223 3.8223
9.2695 9.2695 9.2806 9.2806 10.1059 10.1059 10.1349 10.1349
10.9013 10.9013
k = 0.2452 0.3975 0.5364 ( 4976 PWs) bands (ev):
-12.8908 -12.8908 -12.8897 -12.8897 -10.6925 -10.6925 -10.6875 -10.6875
-10.4685 -10.4685 -10.4655 -10.4655 -3.3679 -3.3679 -3.3600 -3.3600
-2.5818 -2.5818 -2.5642 -2.5642 0.1702 0.1702 0.2025 0.2025
0.2294 0.2294 0.2588 0.2588 1.0953 1.0953 1.1238 1.1238
1.7394 1.7394 1.7474 1.7474 3.1931 3.1931 3.1973 3.1973
3.6104 3.6104 3.6142 3.6142 3.8321 3.8321 3.8402 3.8402
9.2549 9.2549 9.2654 9.2654 10.0731 10.0731 10.1022 10.1022
10.9447 10.9447
k = 0.2362 0.3828 0.5364 ( 4972 PWs) bands (ev):
-12.8985 -12.8985 -12.8975 -12.8975 -10.6508 -10.6508 -10.6457 -10.6457
-10.4946 -10.4946 -10.4916 -10.4916 -3.4465 -3.4465 -3.4392 -3.4392
-2.5089 -2.5089 -2.4902 -2.4902 0.1581 0.1581 0.1897 0.1897
0.2181 0.2181 0.2481 0.2481 1.0902 1.0902 1.1187 1.1187
1.7622 1.7622 1.7705 1.7705 3.1896 3.1896 3.1937 3.1937
3.6146 3.6146 3.6181 3.6181 3.8494 3.8494 3.8578 3.8578
9.2393 9.2393 9.2492 9.2492 10.0369 10.0369 10.0661 10.0661
10.9905 10.9905
k = 0.2271 0.3681 0.5364 ( 4980 PWs) bands (ev):
-12.9064 -12.9064 -12.9053 -12.9053 -10.6085 -10.6085 -10.6033 -10.6033
-10.5197 -10.5197 -10.5169 -10.5169 -3.5254 -3.5254 -3.5187 -3.5187
-2.4373 -2.4373 -2.4175 -2.4175 0.1449 0.1449 0.1757 0.1757
0.2066 0.2066 0.2376 0.2376 1.0863 1.0863 1.1147 1.1147
1.7873 1.7873 1.7957 1.7957 3.1851 3.1851 3.1891 3.1891
3.6202 3.6202 3.6234 3.6234 3.8663 3.8663 3.8749 3.8749
9.2228 9.2228 9.2322 9.2322 9.9977 9.9977 10.0269 10.0269
11.0379 11.0379
k = 0.2180 0.3534 0.5364 ( 4992 PWs) bands (ev):
-12.9143 -12.9143 -12.9132 -12.9132 -10.5664 -10.5664 -10.5607 -10.5607
-10.5433 -10.5433 -10.5411 -10.5411 -3.6043 -3.6043 -3.5982 -3.5982
-2.3673 -2.3673 -2.3464 -2.3464 0.1308 0.1308 0.1603 0.1603
0.1952 0.1952 0.2273 0.2273 1.0837 1.0837 1.1119 1.1119
1.8142 1.8142 1.8228 1.8228 3.1797 3.1797 3.1836 3.1836
3.6271 3.6271 3.6299 3.6299 3.8827 3.8827 3.8914 3.8914
9.2057 9.2057 9.2146 9.2146 9.9560 9.9560 9.9850 9.9850
11.0861 11.0861
k = 0.2089 0.3386 0.5364 ( 4988 PWs) bands (ev):
-12.9222 -12.9222 -12.9211 -12.9211 -10.5684 -10.5684 -10.5653 -10.5653
-10.5216 -10.5216 -10.5169 -10.5169 -3.6829 -3.6829 -3.6775 -3.6775
-2.2990 -2.2990 -2.2771 -2.2771 0.1158 0.1158 0.1436 0.1436
0.1839 0.1839 0.2174 0.2174 1.0826 1.0826 1.1104 1.1104
1.8428 1.8428 1.8516 1.8516 3.1737 3.1737 3.1775 3.1775
3.6351 3.6351 3.6376 3.6376 3.8984 3.8984 3.9073 3.9073
9.1884 9.1884 9.1968 9.1968 9.9122 9.9122 9.9409 9.9409
11.1343 11.1343
k = 0.1998 0.3239 0.5364 ( 4988 PWs) bands (ev):
-12.9301 -12.9301 -12.9291 -12.9291 -10.5907 -10.5907 -10.5879 -10.5879
-10.4784 -10.4784 -10.4735 -10.4735 -3.7611 -3.7611 -3.7563 -3.7563
-2.2327 -2.2327 -2.2099 -2.2099 0.0997 0.0997 0.1257 0.1257
0.1730 0.1730 0.2079 0.2079 1.0830 1.0830 1.1103 1.1103
1.8728 1.8728 1.8818 1.8818 3.1673 3.1673 3.1710 3.1710
3.6441 3.6441 3.6462 3.6462 3.9134 3.9134 3.9225 3.9225
9.1708 9.1708 9.1788 9.1788 9.8668 9.8668 9.8951 9.8951
11.1814 11.1814
k = 0.1907 0.3092 0.5364 ( 4992 PWs) bands (ev):
-12.9380 -12.9380 -12.9369 -12.9369 -10.6123 -10.6123 -10.6096 -10.6096
-10.4349 -10.4349 -10.4299 -10.4299 -3.8386 -3.8386 -3.8343 -3.8343
-2.1685 -2.1685 -2.1449 -2.1449 0.0827 0.0827 0.1067 0.1067
0.1626 0.1626 0.1990 0.1990 1.0849 1.0849 1.1116 1.1116
1.9039 1.9039 1.9129 1.9129 3.1606 3.1606 3.1643 3.1643
3.6538 3.6538 3.6557 3.6557 3.9277 3.9277 3.9369 3.9369
9.1531 9.1531 9.1607 9.1607 9.8201 9.8201 9.8479 9.8479
11.2265 11.2265
k = 0.1817 0.2945 0.5364 ( 4996 PWs) bands (ev):
-12.9458 -12.9458 -12.9448 -12.9448 -10.6329 -10.6329 -10.6304 -10.6304
-10.3914 -10.3914 -10.3864 -10.3864 -3.9152 -3.9152 -3.9114 -3.9114
-2.1066 -2.1066 -2.0823 -2.0823 0.0648 0.0648 0.0869 0.0869
0.1531 0.1531 0.1908 0.1908 1.0882 1.0882 1.1142 1.1142
1.9356 1.9356 1.9447 1.9447 3.1541 3.1541 3.1577 3.1577
3.6643 3.6643 3.6658 3.6658 3.9411 3.9411 3.9505 3.9505
9.1352 9.1352 9.1426 9.1426 9.7727 9.7727 9.7999 9.7999
11.2685 11.2685
k = 0.1726 0.2797 0.5364 ( 4988 PWs) bands (ev):
-12.9535 -12.9535 -12.9525 -12.9525 -10.6526 -10.6526 -10.6502 -10.6502
-10.3481 -10.3481 -10.3431 -10.3431 -3.9906 -3.9906 -3.9873 -3.9873
-2.0472 -2.0472 -2.0223 -2.0223 0.0462 0.0462 0.0664 0.0664
0.1445 0.1445 0.1832 0.1832 1.0928 1.0928 1.1180 1.1180
1.9675 1.9675 1.9767 1.9767 3.1479 3.1479 3.1515 3.1515
3.6752 3.6752 3.6764 3.6764 3.9537 3.9537 3.9632 3.9632
9.1173 9.1173 9.1243 9.1243 9.7250 9.7250 9.7515 9.7515
11.3063 11.3063
k = 0.1635 0.2650 0.5364 ( 5000 PWs) bands (ev):
-12.9611 -12.9611 -12.9601 -12.9601 -10.6712 -10.6712 -10.6689 -10.6689
-10.3052 -10.3052 -10.3002 -10.3002 -4.0645 -4.0645 -4.0617 -4.0617
-1.9905 -1.9905 -1.9651 -1.9651 0.0269 0.0269 0.0454 0.0454
0.1370 0.1370 0.1765 0.1765 1.0986 1.0986 1.1228 1.1228
1.9993 1.9993 2.0084 2.0084 3.1424 3.1424 3.1460 3.1460
3.6865 3.6865 3.6874 3.6874 3.9653 3.9653 3.9749 3.9749
9.0993 9.0993 9.1060 9.1060 9.6773 9.6773 9.7030 9.7030
11.3391 11.3391
k = 0.1544 0.2503 0.5364 ( 4980 PWs) bands (ev):
-12.9684 -12.9684 -12.9675 -12.9675 -10.6889 -10.6889 -10.6867 -10.6867
-10.2628 -10.2628 -10.2579 -10.2579 -4.1367 -4.1367 -4.1344 -4.1344
-1.9365 -1.9365 -1.9108 -1.9108 0.0073 0.0073 0.0242 0.0242
0.1306 0.1306 0.1705 0.1705 1.1054 1.1054 1.1287 1.1287
2.0304 2.0304 2.0394 2.0394 3.1378 3.1378 3.1415 3.1415
3.6980 3.6980 3.6987 3.6987 3.9761 3.9761 3.9857 3.9857
9.0811 9.0811 9.0876 9.0876 9.6301 9.6301 9.6549 9.6549
11.3663 11.3663
k = 0.1453 0.2356 0.5364 ( 4974 PWs) bands (ev):
-12.9756 -12.9756 -12.9747 -12.9747 -10.7054 -10.7054 -10.7034 -10.7034
-10.2211 -10.2211 -10.2164 -10.2164 -4.2069 -4.2069 -4.2050 -4.2050
-1.8853 -1.8853 -1.8595 -1.8595 -0.0124 -0.0124 0.0030 0.0030
0.1254 0.1254 0.1654 0.1654 1.1130 1.1130 1.1352 1.1352
2.0604 2.0604 2.0691 2.0691 3.1346 3.1346 3.1384 3.1384
3.7096 3.7096 3.7100 3.7100 3.9859 3.9859 3.9955 3.9955
9.0628 9.0628 9.0690 9.0690 9.5837 9.5837 9.6076 9.6076
11.3877 11.3877
k = 0.1362 0.2208 0.5364 ( 4972 PWs) bands (ev):
-12.9826 -12.9826 -12.9817 -12.9817 -10.7210 -10.7210 -10.7191 -10.7191
-10.1804 -10.1804 -10.1758 -10.1758 -4.2749 -4.2749 -4.2733 -4.2733
-1.8371 -1.8371 -1.8114 -1.8114 -0.0321 -0.0321 -0.0180 -0.0180
0.1214 0.1214 0.1611 0.1611 1.1213 1.1213 1.1424 1.1424
2.0889 2.0889 2.0972 2.0972 3.1330 3.1330 3.1370 3.1370
3.7212 3.7212 3.7214 3.7214 3.9948 3.9948 4.0044 4.0044
9.0442 9.0442 9.0501 9.0501 9.5385 9.5385 9.5613 9.5613
11.4037 11.4037
k = 0.1272 0.2061 0.5364 ( 4976 PWs) bands (ev):
-12.9893 -12.9893 -12.9884 -12.9884 -10.7355 -10.7355 -10.7337 -10.7337
-10.1408 -10.1408 -10.1364 -10.1364 -4.3403 -4.3403 -4.3391 -4.3391
-1.7920 -1.7920 -1.7665 -1.7665 -0.0514 -0.0514 -0.0387 -0.0387
0.1186 0.1186 0.1577 0.1577 1.1301 1.1301 1.1500 1.1500
2.1153 2.1153 2.1232 2.1232 3.1331 3.1331 3.1373 3.1373
3.7326 3.7326 3.7326 3.7326 4.0027 4.0027 4.0123 4.0123
9.0254 9.0254 9.0311 9.0311 9.4947 9.4947 9.5164 9.5164
11.4154 11.4154
k = 0.1181 0.1914 0.5364 ( 4968 PWs) bands (ev):
-12.9956 -12.9956 -12.9948 -12.9948 -10.7490 -10.7490 -10.7473 -10.7473
-10.1026 -10.1026 -10.0983 -10.0983 -4.4029 -4.4029 -4.4020 -4.4020
-1.7499 -1.7499 -1.7250 -1.7250 -0.0703 -0.0703 -0.0587 -0.0587
0.1169 0.1169 0.1550 0.1550 1.1392 1.1392 1.1578 1.1578
2.1394 2.1394 2.1468 2.1468 3.1353 3.1353 3.1397 3.1397
3.7436 3.7436 3.7437 3.7437 4.0097 4.0097 4.0191 4.0191
9.0066 9.0066 9.0120 9.0120 9.4528 9.4528 9.4733 9.4733
11.4239 11.4239
k = 0.1090 0.1767 0.5364 ( 4964 PWs) bands (ev):
-13.0017 -13.0017 -13.0009 -13.0009 -10.7615 -10.7615 -10.7599 -10.7599
-10.0659 -10.0659 -10.0619 -10.0619 -4.4624 -4.4624 -4.4617 -4.4617
-1.7109 -1.7109 -1.6867 -1.6867 -0.0884 -0.0884 -0.0779 -0.0779
0.1163 0.1163 0.1530 0.1530 1.1484 1.1484 1.1658 1.1658
2.1608 2.1608 2.1677 2.1677 3.1396 3.1396 3.1442 3.1442
3.7543 3.7543 3.7545 3.7545 4.0158 4.0158 4.0251 4.0251
8.9876 8.9876 8.9928 8.9928 9.4128 9.4128 9.4321 9.4321
11.4305 11.4305
k = 0.0999 0.1620 0.5364 ( 4964 PWs) bands (ev):
-13.0073 -13.0073 -13.0066 -13.0066 -10.7729 -10.7729 -10.7715 -10.7715
-10.0311 -10.0311 -10.0273 -10.0273 -4.5185 -4.5185 -4.5180 -4.5180
-1.6750 -1.6750 -1.6519 -1.6519 -0.1056 -0.1056 -0.0962 -0.0962
0.1166 0.1166 0.1517 0.1517 1.1576 1.1576 1.1736 1.1736
2.1795 2.1795 2.1857 2.1857 3.1458 3.1458 3.1507 3.1507
3.7645 3.7645 3.7648 3.7648 4.0211 4.0211 4.0301 4.0301
8.9688 8.9688 8.9737 8.9737 9.3752 9.3752 9.3931 9.3931
11.4363 11.4363
k = 0.0908 0.1472 0.5364 ( 4962 PWs) bands (ev):
-13.0126 -13.0126 -13.0120 -13.0120 -10.7833 -10.7833 -10.7820 -10.7820
-9.9983 -9.9983 -9.9947 -9.9947 -4.5708 -4.5708 -4.5705 -4.5705
-1.6423 -1.6423 -1.6204 -1.6204 -0.1219 -0.1219 -0.1134 -0.1134
0.1178 0.1178 0.1509 0.1509 1.1666 1.1666 1.1812 1.1812
2.1953 2.1953 2.2008 2.2008 3.1540 3.1540 3.1590 3.1590
3.7742 3.7742 3.7746 3.7746 4.0256 4.0256 4.0342 4.0342
8.9502 8.9502 8.9548 8.9548 9.3401 9.3401 9.3566 9.3566
11.4420 11.4420
k = 0.0817 0.1325 0.5364 ( 4966 PWs) bands (ev):
-13.0175 -13.0175 -13.0169 -13.0169 -10.7927 -10.7927 -10.7915 -10.7915
-9.9677 -9.9677 -9.9644 -9.9644 -4.6193 -4.6193 -4.6191 -4.6191
-1.6127 -1.6127 -1.5922 -1.5922 -0.1369 -0.1369 -0.1294 -0.1294
0.1198 0.1198 0.1506 0.1506 1.1752 1.1752 1.1885 1.1885
2.2083 2.2083 2.2131 2.2131 3.1637 3.1637 3.1687 3.1687
3.7832 3.7832 3.7836 3.7836 4.0293 4.0293 4.0375 4.0375
8.9322 8.9322 8.9365 8.9365 9.3078 9.3078 9.3228 9.3228
11.4482 11.4482
k = 0.0727 0.1178 0.5364 ( 4962 PWs) bands (ev):
-13.0219 -13.0219 -13.0213 -13.0213 -10.8010 -10.8010 -10.8000 -10.8000
-9.9396 -9.9396 -9.9366 -9.9366 -4.6635 -4.6635 -4.6634 -4.6634
-1.5862 -1.5862 -1.5674 -1.5674 -0.1506 -0.1506 -0.1440 -0.1440
0.1223 0.1223 0.1505 0.1505 1.1834 1.1834 1.1953 1.1953
2.2188 2.2188 2.2229 2.2229 3.1745 3.1745 3.1796 3.1796
3.7915 3.7915 3.7920 3.7920 4.0323 4.0323 4.0400 4.0400
8.9150 8.9150 8.9189 8.9189 9.2785 9.2785 9.2920 9.2920
11.4551 11.4551
k = 0.0636 0.1031 0.5364 ( 4966 PWs) bands (ev):
-13.0258 -13.0258 -13.0253 -13.0253 -10.8084 -10.8084 -10.8075 -10.8075
-9.9142 -9.9142 -9.9115 -9.9115 -4.7032 -4.7032 -4.7031 -4.7031
-1.5628 -1.5628 -1.5458 -1.5458 -0.1629 -0.1629 -0.1571 -0.1571
0.1253 0.1253 0.1506 0.1506 1.1910 1.1910 1.2014 1.2014
2.2269 2.2269 2.2303 2.2303 3.1860 3.1860 3.1909 3.1909
3.7991 3.7991 3.7995 3.7995 4.0348 4.0348 4.0418 4.0418
8.8989 8.8989 8.9024 8.9024 9.2522 9.2522 9.2642 9.2642
11.4626 11.4626
k = 0.0545 0.0883 0.5364 ( 4954 PWs) bands (ev):
-13.0293 -13.0293 -13.0288 -13.0288 -10.8147 -10.8147 -10.8140 -10.8140
-9.8917 -9.8917 -9.8893 -9.8893 -4.7382 -4.7382 -4.7381 -4.7381
-1.5424 -1.5424 -1.5275 -1.5275 -0.1737 -0.1737 -0.1688 -0.1688
0.1286 0.1286 0.1508 0.1508 1.1979 1.1979 1.2069 1.2069
2.2330 2.2330 2.2358 2.2358 3.1977 3.1977 3.2022 3.2022
3.8057 3.8057 3.8062 3.8062 4.0367 4.0367 4.0430 4.0430
8.8842 8.8842 8.8873 8.8873 9.2293 9.2293 9.2396 9.2396
11.4705 11.4705
k = 0.0454 0.0736 0.5364 ( 4958 PWs) bands (ev):
-13.0322 -13.0322 -13.0319 -13.0319 -10.8201 -10.8201 -10.8195 -10.8195
-9.8722 -9.8722 -9.8703 -9.8703 -4.7682 -4.7682 -4.7681 -4.7681
-1.5250 -1.5250 -1.5123 -1.5123 -0.1829 -0.1829 -0.1788 -0.1788
0.1321 0.1321 0.1509 0.1509 1.2040 1.2040 1.2115 1.2115
2.2374 2.2374 2.2397 2.2397 3.2088 3.2088 3.2129 3.2129
3.8115 3.8115 3.8119 3.8119 4.0382 4.0382 4.0436 4.0436
8.8712 8.8712 8.8738 8.8738 9.2098 9.2098 9.2185 9.2185
11.4784 11.4784
k = 0.0363 0.0589 0.5364 ( 4960 PWs) bands (ev):
-13.0346 -13.0346 -13.0343 -13.0343 -10.8245 -10.8245 -10.8239 -10.8239
-9.8561 -9.8561 -9.8544 -9.8544 -4.7930 -4.7930 -4.7929 -4.7929
-1.5106 -1.5106 -1.5003 -1.5003 -0.1904 -0.1904 -0.1872 -0.1872
0.1355 0.1355 0.1508 0.1508 1.2093 1.2093 1.2153 1.2153
2.2405 2.2405 2.2423 2.2423 3.2189 3.2189 3.2224 3.2224
3.8163 3.8163 3.8166 3.8166 4.0394 4.0394 4.0439 4.0439
8.8602 8.8602 8.8623 8.8623 9.1939 9.1939 9.2008 9.2008
11.4858 11.4858
k = 0.0272 0.0442 0.5364 ( 4976 PWs) bands (ev):
-13.0365 -13.0365 -13.0363 -13.0363 -10.8278 -10.8278 -10.8274 -10.8274
-9.8433 -9.8433 -9.8420 -9.8420 -4.8125 -4.8125 -4.8124 -4.8124
-1.4991 -1.4991 -1.4913 -1.4913 -0.1962 -0.1962 -0.1938 -0.1938
0.1387 0.1387 0.1503 0.1503 1.2136 1.2136 1.2181 1.2181
2.2426 2.2426 2.2439 2.2439 3.2275 3.2275 3.2302 3.2302
3.8201 3.8201 3.8203 3.8203 4.0404 4.0404 4.0438 4.0438
8.8514 8.8514 8.8530 8.8530 9.1815 9.1815 9.1868 9.1868
11.4923 11.4923
k = 0.0182 0.0294 0.5364 ( 4972 PWs) bands (ev):
-13.0379 -13.0379 -13.0377 -13.0377 -10.8302 -10.8302 -10.8300 -10.8300
-9.8340 -9.8340 -9.8331 -9.8331 -4.8266 -4.8266 -4.8265 -4.8265
-1.4905 -1.4905 -1.4852 -1.4852 -0.2003 -0.2003 -0.1987 -0.1987
0.1417 0.1417 0.1495 0.1495 1.2170 1.2170 1.2200 1.2200
2.2440 2.2440 2.2448 2.2448 3.2341 3.2341 3.2360 3.2360
3.8228 3.8228 3.8230 3.8230 4.0412 4.0412 4.0435 4.0435
8.8450 8.8450 8.8461 8.8461 9.1730 9.1730 9.1765 9.1765
11.4974 11.4975
k = 0.0091 0.0147 0.5364 ( 4976 PWs) bands (ev):
-13.0387 -13.0387 -13.0386 -13.0386 -10.8316 -10.8316 -10.8315 -10.8315
-9.8283 -9.8283 -9.8279 -9.8279 -4.8350 -4.8350 -4.8349 -4.8349
-1.4848 -1.4848 -1.4822 -1.4822 -0.2026 -0.2026 -0.2018 -0.2018
0.1443 0.1443 0.1483 0.1483 1.2193 1.2193 1.2208 1.2208
2.2448 2.2448 2.2452 2.2452 3.2384 3.2384 3.2394 3.2394
3.8245 3.8245 3.8246 3.8246 4.0419 4.0419 4.0431 4.0431
8.8413 8.8413 8.8418 8.8418 9.1681 9.1681 9.1699 9.1699
11.5008 11.5011
k = 0.0000 0.0000 0.5364 ( 4960 PWs) bands (ev):
-13.0389 -13.0389 -13.0389 -13.0389 -10.8321 -10.8321 -10.8321 -10.8321
-9.8262 -9.8262 -9.8262 -9.8262 -4.8378 -4.8378 -4.8378 -4.8378
-1.4821 -1.4821 -1.4821 -1.4821 -0.2031 -0.2031 -0.2031 -0.2031
0.1465 0.1465 0.1465 0.1465 1.2206 1.2206 1.2206 1.2206
2.2452 2.2452 2.2452 2.2452 3.2402 3.2402 3.2402 3.2402
3.8251 3.8251 3.8251 3.8251 4.0425 4.0425 4.0425 4.0425
8.8402 8.8402 8.8402 8.8402 9.1671 9.1671 9.1671 9.1671
11.5022 11.5022
k = 0.0000 0.0000 0.5364 ( 4960 PWs) bands (ev):
-13.0389 -13.0389 -13.0389 -13.0389 -10.8321 -10.8321 -10.8321 -10.8321
-9.8262 -9.8262 -9.8262 -9.8262 -4.8378 -4.8378 -4.8378 -4.8378
-1.4821 -1.4821 -1.4821 -1.4821 -0.2031 -0.2031 -0.2031 -0.2031
0.1465 0.1465 0.1465 0.1465 1.2206 1.2206 1.2206 1.2206
2.2452 2.2452 2.2452 2.2452 3.2402 3.2402 3.2402 3.2402
3.8251 3.8251 3.8251 3.8251 4.0425 4.0425 4.0425 4.0425
8.8402 8.8402 8.8402 8.8402 9.1671 9.1671 9.1671 9.1671
11.5022 11.5022
k = 0.0000 0.0000 0.5191 ( 4973 PWs) bands (ev):
-13.0591 -13.0591 -13.0190 -13.0190 -10.8685 -10.8685 -10.7940 -10.7940
-9.8290 -9.8290 -9.8241 -9.8241 -4.8370 -4.8370 -4.8351 -4.8351
-1.6178 -1.6178 -1.3483 -1.3483 -0.2407 -0.2407 -0.1667 -0.1667
0.1053 0.1053 0.1906 0.1906 1.2067 1.2067 1.2280 1.2280
2.2369 2.2369 2.2552 2.2552 3.2312 3.2312 3.2494 3.2494
3.8204 3.8204 3.8296 3.8296 4.0328 4.0328 4.0500 4.0500
8.8108 8.8108 8.8669 8.8669 9.1696 9.1696 9.1761 9.1761
11.4661 11.4661
k = 0.0000 0.0000 0.5018 ( 4977 PWs) bands (ev):
-13.0796 -13.0796 -12.9996 -12.9996 -10.9034 -10.9034 -10.7544 -10.7544
-9.8323 -9.8323 -9.8225 -9.8225 -4.8327 -4.8327 -4.8290 -4.8290
-1.7547 -1.7547 -1.2175 -1.2175 -0.2791 -0.2791 -0.1319 -0.1319
0.0679 0.0679 0.2369 0.2369 1.1868 1.1868 1.2289 1.2289
2.2303 2.2303 2.2670 2.2670 3.2228 3.2228 3.2589 3.2589
3.8156 3.8156 3.8340 3.8340 4.0210 4.0210 4.0552 4.0552
8.7784 8.7784 8.8912 8.8912 9.1833 9.1833 9.1964 9.1964
11.4247 11.4247
k = 0.0000 0.0000 0.4845 ( 4971 PWs) bands (ev):
-13.1003 -13.1003 -12.9806 -12.9806 -10.9366 -10.9366 -10.7133 -10.7133
-9.8362 -9.8362 -9.8215 -9.8215 -4.8250 -4.8250 -4.8194 -4.8194
-1.8922 -1.8922 -1.0910 -1.0910 -0.3181 -0.3181 -0.0994 -0.0994
0.0358 0.0358 0.2849 0.2849 1.1614 1.1614 1.2231 1.2231
2.2254 2.2254 2.2806 2.2806 3.2148 3.2148 3.2684 3.2684
3.8109 3.8109 3.8380 3.8380 4.0072 4.0072 4.0582 4.0582
8.7429 8.7429 8.9133 8.9133 9.2082 9.2082 9.2280 9.2280
11.3787 11.3787
k = 0.0000 0.0000 0.4672 ( 4977 PWs) bands (ev):
-13.1212 -13.1212 -12.9622 -12.9622 -10.9683 -10.9683 -10.6707 -10.6707
-9.8406 -9.8406 -9.8211 -9.8211 -4.8140 -4.8140 -4.8064 -4.8064
-2.0299 -2.0299 -0.9707 -0.9707 -0.3575 -0.3575 -0.0708 -0.0708
0.0118 0.0118 0.3344 0.3344 1.1310 1.1310 1.2107 1.2107
2.2222 2.2222 2.2958 2.2958 3.2076 3.2076 3.2779 3.2779
3.8064 3.8064 3.8418 3.8418 3.9915 3.9915 4.0588 4.0588
8.7039 8.7039 8.9335 8.9335 9.2438 9.2438 9.2705 9.2705
11.3286 11.3286
k = 0.0000 0.0000 0.4499 ( 4977 PWs) bands (ev):
-13.1422 -13.1422 -12.9443 -12.9443 -10.9984 -10.9984 -10.6268 -10.6268
-9.8455 -9.8455 -9.8213 -9.8213 -4.7997 -4.7997 -4.7899 -4.7899
-2.1673 -2.1673 -0.8596 -0.8596 -0.3971 -0.3971 -0.0498 -0.0498
0.0016 0.0016 0.3850 0.3850 1.0966 1.0966 1.1917 1.1917
2.2205 2.2205 2.3127 2.3127 3.2012 3.2012 3.2871 3.2871
3.8021 3.8021 3.8454 3.8454 3.9741 3.9741 4.0571 4.0571
8.6613 8.6613 8.9520 8.9520 9.2898 9.2898 9.3237 9.3237
11.2751 11.2751
k = 0.0000 0.0000 0.4326 ( 4985 PWs) bands (ev):
-13.1632 -13.1632 -12.9270 -12.9270 -11.0269 -11.0269 -10.5815 -10.5815
-9.8508 -9.8508 -9.8220 -9.8220 -4.7823 -4.7823 -4.7702 -4.7702
-2.3039 -2.3039 -0.7617 -0.7617 -0.4367 -0.4367 -0.0376 -0.0376
0.0098 0.0098 0.4365 0.4365 1.0590 1.0590 1.1666 1.1666
2.2204 2.2204 2.3311 2.3311 3.1959 3.1959 3.2961 3.2961
3.7982 3.7982 3.8486 3.8486 3.9551 3.9551 4.0532 4.0532
8.6150 8.6150 8.9690 8.9690 9.3454 9.3454 9.3871 9.3871
11.2186 11.2186
k = 0.0000 0.0000 0.4153 ( 4979 PWs) bands (ev):
-13.1841 -13.1841 -12.9103 -12.9103 -11.0539 -11.0539 -10.5350 -10.5350
-9.8566 -9.8566 -9.8232 -9.8232 -4.7618 -4.7618 -4.7473 -4.7473
-2.4395 -2.4395 -0.6822 -0.6822 -0.4761 -0.4761 -0.0209 -0.0209
0.0269 0.0269 0.4886 0.4886 1.0196 1.0196 1.1356 1.1356
2.2218 2.2218 2.3510 2.3510 3.1918 3.1918 3.3046 3.3046
3.7947 3.7947 3.8517 3.8517 3.9349 3.9349 4.0471 4.0471
8.5648 8.5648 8.9846 8.9846 9.4101 9.4101 9.4603 9.4603
11.1597 11.1597
k = 0.0000 0.0000 0.3980 ( 4993 PWs) bands (ev):
-13.2048 -13.2048 -12.8943 -12.8943 -11.0794 -11.0794 -10.4874 -10.4874
-9.8627 -9.8627 -9.8249 -9.8249 -4.7385 -4.7385 -4.7213 -4.7213
-2.5737 -2.5737 -0.6259 -0.6259 -0.5147 -0.5147 0.0098 0.0098
0.0466 0.0466 0.5412 0.5412 0.9796 0.9796 1.0992 1.0992
2.2245 2.2245 2.3722 2.3722 3.1890 3.1890 3.3125 3.3125
3.7917 3.7917 3.8547 3.8547 3.9137 3.9137 4.0389 4.0389
8.5108 8.5108 8.9990 8.9990 9.4829 9.4829 9.5425 9.5425
11.0989 11.0989
k = 0.0000 0.0000 0.3807 ( 4989 PWs) bands (ev):
-13.2254 -13.2254 -12.8790 -12.8790 -11.1035 -11.1035 -10.4388 -10.4388
-9.8692 -9.8692 -9.8271 -9.8271 -4.7124 -4.7124 -4.6923 -4.6923
-2.7061 -2.7061 -0.5965 -0.5965 -0.5501 -0.5501 0.0371 0.0371
0.0859 0.0859 0.5940 0.5940 0.9407 0.9407 1.0579 1.0579
2.2285 2.2285 2.3946 2.3946 3.1879 3.1879 3.3197 3.3197
3.7892 3.7892 3.8574 3.8574 3.8917 3.8917 4.0287 4.0287
8.4531 8.4531 9.0124 9.0124 9.5630 9.5630 9.6332 9.6332
11.0365 11.0365
k = 0.0000 0.0000 0.3634 ( 4987 PWs) bands (ev):
-13.2456 -13.2456 -12.8644 -12.8644 -11.1261 -11.1261 -10.3893 -10.3893
-9.8759 -9.8759 -9.8296 -9.8296 -4.6838 -4.6838 -4.6606 -4.6606
-2.8365 -2.8365 -0.6056 -0.6056 -0.5669 -0.5669 0.0440 0.0440
0.1568 0.1568 0.6469 0.6469 0.9046 0.9046 1.0124 1.0124
2.2336 2.2336 2.4178 2.4178 3.1885 3.1885 3.3258 3.3258
3.7873 3.7873 3.8593 3.8593 3.8702 3.8702 4.0168 4.0168
8.3917 8.3917 9.0249 9.0249 9.6492 9.6492 9.7317 9.7317
10.9730 10.9730
k = 0.0000 0.0000 0.3461 ( 4983 PWs) bands (ev):
-13.2654 -13.2654 -12.8505 -12.8505 -11.1472 -11.1472 -10.3393 -10.3393
-9.8828 -9.8828 -9.8326 -9.8326 -4.6528 -4.6528 -4.6262 -4.6262
-2.9646 -2.9646 -0.6400 -0.6400 -0.5726 -0.5726 0.0391 0.0391
0.2435 0.2435 0.6995 0.6995 0.8731 0.8731 0.9633 0.9633
2.2398 2.2398 2.4416 2.4416 3.1913 3.1913 3.3307 3.3307
3.7860 3.7860 3.8453 3.8453 3.8646 3.8646 4.0032 4.0032
8.3270 8.3270 9.0366 9.0366 9.7403 9.7403 9.8374 9.8374
10.9087 10.9087
k = 0.0000 0.0000 0.3287 ( 4991 PWs) bands (ev):
-13.2848 -13.2848 -12.8373 -12.8373 -11.1671 -11.1671 -10.2887 -10.2887
-9.8898 -9.8898 -9.8358 -9.8358 -4.6197 -4.6197 -4.5895 -4.5895
-3.0899 -3.0899 -0.6777 -0.6777 -0.5841 -0.5841 0.0239 0.0239
0.3381 0.3381 0.7512 0.7512 0.8479 0.8479 0.9115 0.9115
2.2470 2.2470 2.4657 2.4657 3.1962 3.1962 3.3342 3.3342
3.7850 3.7850 3.8235 3.8235 3.8673 3.8673 3.9883 3.9883
8.2591 8.2591 9.0476 9.0476 9.8349 9.8349 9.9494 9.9494
10.8439 10.8439
k = 0.0000 0.0000 0.3114 ( 4987 PWs) bands (ev):
-13.3037 -13.3037 -12.8249 -12.8249 -11.1856 -11.1856 -10.2379 -10.2379
-9.8969 -9.8969 -9.8392 -9.8392 -4.5848 -4.5848 -4.5506 -4.5506
-3.2122 -3.2122 -0.7158 -0.7158 -0.6005 -0.6005 -0.0015 -0.0015
0.4362 0.4362 0.7981 0.7981 0.8323 0.8323 0.8589 0.8589
2.2550 2.2550 2.4898 2.4898 3.2037 3.2037 3.3359 3.3359
3.7839 3.7839 3.8027 3.8027 3.8706 3.8706 3.9722 3.9722
8.1885 8.1885 9.0580 9.0580 9.9311 9.9311 10.0671 10.0671
10.7789 10.7789
k = 0.0000 0.0000 0.2941 ( 4987 PWs) bands (ev):
-13.3219 -13.3219 -12.8132 -12.8132 -11.2029 -11.2029 -10.1871 -10.1871
-9.9041 -9.9041 -9.8429 -9.8429 -4.5482 -4.5482 -4.5098 -4.5098
-3.3311 -3.3311 -0.7537 -0.7537 -0.6199 -0.6199 -0.0367 -0.0367
0.5346 0.5346 0.7975 0.7975 0.8123 0.8123 0.8633 0.8633
2.2637 2.2637 2.5134 2.5134 3.2137 3.2137 3.3357 3.3357
3.7770 3.7770 3.7891 3.7891 3.8741 3.8741 3.9554 3.9554
8.1156 8.1156 9.0679 9.0679 10.0269 10.0269 10.1897 10.1897
10.7141 10.7141
k = 0.0000 0.0000 0.2768 ( 4983 PWs) bands (ev):
-13.3395 -13.3395 -12.8022 -12.8022 -11.2189 -11.2189 -10.1366 -10.1366
-9.9112 -9.9112 -9.8467 -9.8467 -4.5104 -4.5104 -4.4674 -4.4674
-3.4463 -3.4463 -0.7913 -0.7913 -0.6409 -0.6409 -0.0806 -0.0806
0.6304 0.6304 0.7442 0.7442 0.8074 0.8074 0.9114 0.9114
2.2730 2.2730 2.5361 2.5361 3.2264 3.2264 3.3332 3.3332
3.7599 3.7599 3.7876 3.7876 3.8778 3.8778 3.9383 3.9383
8.0408 8.0408 9.0773 9.0773 10.1196 10.1196 10.3164 10.3164
10.6499 10.6499
k = 0.0000 0.0000 0.2595 ( 4991 PWs) bands (ev):
-13.3564 -13.3564 -12.7919 -12.7919 -11.2337 -11.2337 -10.0865 -10.0865
-9.9182 -9.9182 -9.8506 -9.8506 -4.4716 -4.4716 -4.4237 -4.4237
-3.5574 -3.5574 -0.8284 -0.8284 -0.6624 -0.6624 -0.1317 -0.1317
0.6779 0.6779 0.7339 0.7339 0.8084 0.8084 0.9608 0.9608
2.2826 2.2826 2.5577 2.5577 3.2416 3.2416 3.3283 3.3283
3.7430 3.7430 3.7883 3.7883 3.8818 3.8818 3.9212 3.9212
7.9647 7.9647 9.0863 9.0863 10.2060 10.2060 10.4463 10.4463
10.5868 10.5868
k = 0.0000 0.0000 0.2422 ( 4999 PWs) bands (ev):
-13.3724 -13.3724 -12.7824 -12.7824 -11.2474 -11.2474 -10.0373 -10.0373
-9.9250 -9.9250 -9.8545 -9.8545 -4.4321 -4.4321 -4.3791 -4.3791
-3.6641 -3.6641 -0.8649 -0.8649 -0.6838 -0.6838 -0.1885 -0.1885
0.6260 0.6260 0.8029 0.8029 0.8303 0.8303 1.0094 1.0094
2.2926 2.2926 2.5778 2.5778 3.2590 3.2590 3.3210 3.3210
3.7280 3.7280 3.7894 3.7894 3.8859 3.8859 3.9047 3.9047
7.8879 7.8879 9.0951 9.0951 10.2825 10.2825 10.5230 10.5230
10.5808 10.5808
k = 0.0000 0.0000 0.2249 ( 4989 PWs) bands (ev):
-13.3876 -13.3876 -12.7735 -12.7735 -11.2600 -11.2600 -9.9894 -9.9894
-9.9314 -9.9314 -9.8584 -9.8584 -4.3924 -4.3924 -4.3340 -4.3340
-3.7659 -3.7659 -0.9008 -0.9008 -0.7047 -0.7047 -0.2490 -0.2490
0.5711 0.5711 0.8160 0.8160 0.9109 0.9109 1.0569 1.0569
2.3026 2.3026 2.5962 2.5962 3.2778 3.2778 3.3116 3.3116
3.7153 3.7153 3.7909 3.7909 3.8878 3.8878 3.8918 3.8918
7.8110 7.8110 9.1035 9.1035 10.3451 10.3451 10.4638 10.4638
10.7145 10.7145
k = 0.0000 0.0000 0.2076 ( 4989 PWs) bands (ev):
-13.4019 -13.4019 -12.7654 -12.7654 -11.2715 -11.2715 -9.9460 -9.9460
-9.9346 -9.9346 -9.8622 -9.8622 -4.3529 -4.3529 -4.2888 -4.2888
-3.8625 -3.8625 -0.9358 -0.9358 -0.7248 -0.7248 -0.3119 -0.3119
0.5175 0.5175 0.8261 0.8261 0.9921 0.9921 1.1032 1.1032
2.3126 2.3126 2.6128 2.6128 3.2927 3.2927 3.3049 3.3049
3.7049 3.7049 3.7926 3.7926 3.8756 3.8756 3.8951 3.8951
7.7347 7.7347 9.1116 9.1116 10.3863 10.3863 10.4108 10.4108
10.8500 10.8500
k = 0.0000 0.0000 0.1903 ( 4983 PWs) bands (ev):
-13.4153 -13.4153 -12.7580 -12.7580 -11.2819 -11.2819 -9.9450 -9.9450
-9.8973 -9.8973 -9.8654 -9.8654 -4.3139 -4.3139 -4.2440 -4.2440
-3.9535 -3.9535 -0.9697 -0.9697 -0.7437 -0.7437 -0.3754 -0.3754
0.4660 0.4660 0.8372 0.8372 1.0680 1.0680 1.1482 1.1482
2.3225 2.3225 2.6274 2.6274 3.2830 3.2830 3.3208 3.3208
3.6968 3.6968 3.7944 3.7944 3.8649 3.8649 3.8996 3.8996
7.6598 7.6598 9.1196 9.1196 10.3466 10.3466 10.4242 10.4242
10.9856 10.9856
k = 0.0000 0.0000 0.1730 ( 4989 PWs) bands (ev):
-13.4276 -13.4276 -12.7512 -12.7512 -11.2914 -11.2914 -9.9504 -9.9504
-9.8713 -9.8713 -9.8525 -9.8525 -4.2760 -4.2760 -4.2002 -4.2002
-4.0384 -4.0384 -1.0024 -1.0024 -0.7615 -0.7615 -0.4385 -0.4385
0.4174 0.4174 0.8487 0.8487 1.1368 1.1368 1.1926 1.1926
2.3321 2.3321 2.6403 2.6403 3.2678 3.2678 3.3397 3.3397
3.6907 3.6907 3.7962 3.7962 3.8576 3.8576 3.9041 3.9041
7.5870 7.5870 9.1272 9.1272 10.2939 10.2939 10.4375 10.4375
11.1204 11.1204
k = 0.0000 0.0000 0.1557 ( 4997 PWs) bands (ev):
-13.4389 -13.4389 -12.7452 -12.7452 -11.2998 -11.2998 -9.9556 -9.9556
-9.8737 -9.8737 -9.8134 -9.8134 -4.2396 -4.2396 -4.1580 -4.1580
-4.1166 -4.1166 -1.0337 -1.0337 -0.7778 -0.7778 -0.4996 -0.4996
0.3720 0.3720 0.8604 0.8604 1.1961 1.1961 1.2383 1.2383
2.3411 2.3411 2.6513 2.6513 3.2514 3.2514 3.3569 3.3569
3.6863 3.6863 3.7980 3.7980 3.8542 3.8542 3.9086 3.9086
7.5171 7.5171 9.1346 9.1346 10.2439 10.2439 10.4389 10.4389
11.2533 11.2533
k = 0.0000 0.0000 0.1384 ( 5001 PWs) bands (ev):
-13.4491 -13.4491 -12.7398 -12.7398 -11.3073 -11.3073 -9.9605 -9.9605
-9.8766 -9.8766 -9.7763 -9.7763 -4.2056 -4.2056 -4.1884 -4.1884
-4.1171 -4.1171 -1.0631 -1.0631 -0.7927 -0.7927 -0.5578 -0.5578
0.3304 0.3304 0.8717 0.8717 1.2435 1.2435 1.2868 1.2868
2.3497 2.3497 2.6608 2.6608 3.2346 3.2346 3.3710 3.3710
3.6834 3.6834 3.7998 3.7998 3.8552 3.8552 3.9129 3.9129
7.4511 7.4511 9.1417 9.1417 10.1975 10.1975 10.4317 10.4317
11.3831 11.3831
k = 0.0000 0.0000 0.1211 ( 4995 PWs) bands (ev):
-13.4582 -13.4582 -12.7350 -12.7350 -11.3139 -11.3139 -9.9648 -9.9648
-9.8794 -9.8794 -9.7424 -9.7424 -4.2533 -4.2533 -4.1730 -4.1730
-4.0795 -4.0795 -1.0903 -1.0903 -0.8060 -0.8060 -0.6120 -0.6120
0.2929 0.2929 0.8823 0.8823 1.2812 1.2812 1.3355 1.3355
2.3575 2.3575 2.6689 2.6689 3.2180 3.2180 3.3817 3.3817
3.6815 3.6815 3.8014 3.8014 3.8603 3.8603 3.9169 3.9169
7.3899 7.3899 9.1484 9.1484 10.1552 10.1552 10.4192 10.4192
11.5084 11.5084
k = 0.0000 0.0000 0.1038 ( 5003 PWs) bands (ev):
-13.4661 -13.4661 -12.7309 -12.7309 -11.3195 -11.3195 -9.9687 -9.9687
-9.8820 -9.8820 -9.7121 -9.7121 -4.3099 -4.3099 -4.1441 -4.1441
-4.0452 -4.0452 -1.1151 -1.1151 -0.8177 -0.8177 -0.6611 -0.6611
0.2598 0.2598 0.8920 0.8920 1.3127 1.3127 1.3802 1.3802
2.3645 2.3645 2.6755 2.6755 3.2023 3.2023 3.3888 3.3888
3.6805 3.6805 3.8029 3.8029 3.8689 3.8689 3.9207 3.9207
7.3344 7.3344 9.1546 9.1546 10.1173 10.1173 10.4042 10.4042
11.6274 11.6274
k = 0.0000 0.0000 0.0865 ( 5003 PWs) bands (ev):
-13.4729 -13.4729 -12.7275 -12.7275 -11.3243 -11.3243 -9.9720 -9.9720
-9.8842 -9.8842 -9.6858 -9.6858 -4.3586 -4.3586 -4.1187 -4.1187
-4.0148 -4.0148 -1.1369 -1.1369 -0.8278 -0.8278 -0.7043 -0.7043
0.2315 0.2315 0.9005 0.9005 1.3393 1.3393 1.4193 1.4193
2.3705 2.3705 2.6811 2.6811 3.1880 3.1880 3.3928 3.3928
3.6800 3.6800 3.8042 3.8042 3.8796 3.8796 3.9240 3.9240
7.2854 7.2854 9.1602 9.1602 10.0844 10.0844 10.3888 10.3888
11.7380 11.7380
k = 0.0000 0.0000 0.0692 ( 5007 PWs) bands (ev):
-13.4785 -13.4785 -12.7247 -12.7247 -11.3281 -11.3281 -9.9747 -9.9747
-9.8860 -9.8860 -9.6637 -9.6637 -4.3990 -4.3990 -4.0971 -4.0971
-3.9889 -3.9889 -1.1554 -1.1554 -0.8362 -0.8362 -0.7408 -0.7408
0.2080 0.2080 0.9076 0.9076 1.3612 1.3612 1.4518 1.4518
2.3756 2.3756 2.6855 2.6855 3.1756 3.1756 3.3944 3.3944
3.6799 3.6799 3.8054 3.8054 3.8912 3.8912 3.9268 3.9268
7.2439 7.2439 9.1651 9.1651 10.0568 10.0568 10.3746 10.3746
11.8374 11.8374
k = 0.0000 0.0000 0.0519 ( 5003 PWs) bands (ev):
-13.4828 -13.4828 -12.7225 -12.7225 -11.3311 -11.3311 -9.9769 -9.9769
-9.8874 -9.8874 -9.6463 -9.6463 -4.4307 -4.4307 -4.0799 -4.0799
-3.9681 -3.9681 -1.1702 -1.1702 -0.8431 -0.8431 -0.7696 -0.7696
0.1896 0.1896 0.9133 0.9133 1.3784 1.3784 1.4775 1.4775
2.3796 2.3796 2.6888 2.6888 3.1654 3.1654 3.3946 3.3946
3.6800 3.6800 3.8063 3.8063 3.9021 3.9021 3.9291 3.9291
7.2106 7.2106 9.1691 9.1691 10.0349 10.0349 10.3625 10.3625
11.9219 11.9219
k = 0.0000 0.0000 0.0346 ( 5003 PWs) bands (ev):
-13.4859 -13.4859 -12.7209 -12.7209 -11.3332 -11.3332 -9.9785 -9.9785
-9.8885 -9.8885 -9.6337 -9.6337 -4.4535 -4.4535 -4.0674 -4.0674
-3.9529 -3.9529 -1.1811 -1.1811 -0.8482 -0.8482 -0.7905 -0.7905
0.1763 0.1763 0.9174 0.9174 1.3908 1.3908 1.4959 1.4959
2.3826 2.3826 2.6912 2.6912 3.1580 3.1580 3.3941 3.3941
3.6801 3.6801 3.8069 3.8069 3.9108 3.9108 3.9308 3.9308
7.1863 7.1863 9.1721 9.1721 10.0190 10.0190 10.3534 10.3534
11.9873 11.9873
k = 0.0000 0.0000 0.0173 ( 4997 PWs) bands (ev):
-13.4878 -13.4878 -12.7200 -12.7200 -11.3345 -11.3345 -9.9794 -9.9794
-9.8891 -9.8891 -9.6260 -9.6260 -4.4672 -4.4672 -4.0597 -4.0597
-3.9436 -3.9436 -1.1877 -1.1877 -0.8515 -0.8515 -0.8029 -0.8029
0.1684 0.1684 0.9199 0.9199 1.3984 1.3984 1.5071 1.5071
2.3843 2.3843 2.6926 2.6926 3.1534 3.1534 3.3935 3.3935
3.6803 3.6803 3.8073 3.8073 3.9166 3.9166 3.9318 3.9318
7.1716 7.1716 9.1739 9.1739 10.0094 10.0094 10.3478 10.3478
12.0289 12.0289
k = 0.0000 0.0000 0.0000 ( 5005 PWs) bands (ev):
-13.4884 -13.4884 -12.7197 -12.7197 -11.3349 -11.3349 -9.9797 -9.9797
-9.8893 -9.8893 -9.6235 -9.6235 -4.4718 -4.4718 -4.0572 -4.0572
-3.9405 -3.9405 -1.1899 -1.1899 -0.8527 -0.8527 -0.8070 -0.8070
0.1657 0.1657 0.9207 0.9207 1.4009 1.4009 1.5108 1.5108
2.3849 2.3849 2.6931 2.6931 3.1518 3.1518 3.3933 3.3933
3.6803 3.6803 3.8074 3.8074 3.9185 3.9185 3.9321 3.9321
7.1666 7.1666 9.1745 9.1745 10.0062 10.0062 10.3459 10.3459
12.0432 12.0432
k = 0.0000 0.0000 0.0000 ( 5005 PWs) bands (ev):
-13.4884 -13.4884 -12.7197 -12.7197 -11.3349 -11.3349 -9.9797 -9.9797
-9.8893 -9.8893 -9.6235 -9.6235 -4.4718 -4.4718 -4.0572 -4.0572
-3.9405 -3.9405 -1.1899 -1.1899 -0.8527 -0.8527 -0.8070 -0.8070
0.1657 0.1657 0.9207 0.9207 1.4009 1.4009 1.5108 1.5108
2.3849 2.3849 2.6931 2.6931 3.1518 3.1518 3.3933 3.3933
3.6803 3.6803 3.8074 3.8074 3.9185 3.9185 3.9321 3.9321
7.1666 7.1666 9.1745 9.1745 10.0062 10.0062 10.3459 10.3459
12.0432 12.0432
k =-0.0147 0.0091 0.0000 ( 4997 PWs) bands (ev):
-13.4876 -13.4876 -12.7198 -12.7197 -11.3366 -11.3366 -9.9798 -9.9795
-9.8896 -9.8890 -9.6240 -9.6228 -4.4735 -4.4731 -4.0554 -4.0549
-3.9388 -3.9375 -1.1911 -1.1894 -0.8517 -0.8510 -0.8084 -0.8067
0.1647 0.1653 0.9151 0.9185 1.4023 1.4026 1.5110 1.5123
2.3853 2.3869 2.6907 2.6921 3.1533 3.1534 3.3935 3.3935
3.6801 3.6801 3.8021 3.8038 3.9188 3.9201 3.9310 3.9312
7.1708 7.1711 9.1728 9.1764 10.0076 10.0079 10.3464 10.3490
12.0235 12.0401
k =-0.0294 0.0181 0.0000 ( 4993 PWs) bands (ev):
-13.4853 -13.4853 -12.7200 -12.7197 -11.3417 -11.3415 -9.9797 -9.9791
-9.8899 -9.8887 -9.6243 -9.6219 -4.4778 -4.4770 -4.0497 -4.0486
-3.9326 -3.9301 -1.1929 -1.1897 -0.8482 -0.8467 -0.8106 -0.8072
0.1622 0.1633 0.9017 0.9085 1.4067 1.4073 1.5130 1.5156
2.3880 2.3911 2.6850 2.6876 3.1578 3.1580 3.3941 3.3943
3.6795 3.6796 3.7882 3.7914 3.9208 3.9230 3.9277 3.9282
7.1836 7.1842 9.1713 9.1785 10.0122 10.0129 10.3505 10.3557
11.9883 12.0140
k =-0.0441 0.0272 0.0000 ( 4985 PWs) bands (ev):
-13.4814 -13.4813 -12.7203 -12.7199 -11.3500 -11.3497 -9.9794 -9.9786
-9.8902 -9.8884 -9.6244 -9.6208 -4.4846 -4.4835 -4.0401 -4.0383
-3.9221 -3.9185 -1.1955 -1.1906 -0.8426 -0.8405 -0.8131 -0.8081
0.1582 0.1599 0.8810 0.8911 1.4140 1.4148 1.5166 1.5206
2.3928 2.3973 2.6757 2.6797 3.1653 3.1656 3.3953 3.3955
3.6784 3.6787 3.7667 3.7710 3.9220 3.9222 3.9253 3.9272
7.2047 7.2055 9.1701 9.1807 10.0200 10.0210 10.3580 10.3657
11.9434 11.9726
k =-0.0588 0.0363 0.0000 ( 4983 PWs) bands (ev):
-13.4759 -13.4759 -12.7207 -12.7202 -11.3615 -11.3611 -9.9790 -9.9779
-9.8905 -9.8881 -9.6244 -9.6197 -4.4935 -4.4921 -4.0266 -4.0242
-3.9077 -3.9030 -1.1986 -1.1922 -0.8364 -0.8348 -0.8134 -0.8079
0.1527 0.1550 0.8537 0.8669 1.4240 1.4251 1.5220 1.5272
2.3992 2.4049 2.6630 2.6683 3.1758 3.1761 3.3968 3.3972
3.6768 3.6774 3.7386 3.7434 3.9150 3.9155 3.9291 3.9318
7.2336 7.2348 9.1694 9.1833 10.0311 10.0323 10.3688 10.3786
11.8921 11.9218
k =-0.0735 0.0454 0.0000 ( 4983 PWs) bands (ev):
-13.4689 -13.4688 -12.7212 -12.7205 -11.3761 -11.3757 -9.9785 -9.9772
-9.8907 -9.8877 -9.6243 -9.6184 -4.5041 -4.5026 -4.0092 -4.0063
-3.8898 -3.8841 -1.2022 -1.1944 -0.8351 -0.8333 -0.8062 -0.8029
0.1459 0.1486 0.8204 0.8365 1.4366 1.4377 1.5289 1.5354
2.4068 2.4134 2.6466 2.6532 3.1891 3.1893 3.3988 3.3993
3.6738 3.6757 3.7058 3.7100 3.9059 3.9066 3.9341 3.9370
7.2698 7.2712 9.1691 9.1862 10.0456 10.0469 10.3822 10.3941
11.8362 11.8651
k =-0.0882 0.0544 0.0000 ( 4981 PWs) bands (ev):
-13.4604 -13.4603 -12.7217 -12.7209 -11.3938 -11.3933 -9.9779 -9.9763
-9.8907 -9.8872 -9.6241 -9.6172 -4.5160 -4.5143 -3.9882 -3.9847
-3.8688 -3.8622 -1.2063 -1.1972 -0.8406 -0.8355 -0.7921 -0.7910
0.1377 0.1409 0.7819 0.8007 1.4515 1.4526 1.5375 1.5451
2.4150 2.4222 2.6263 2.6343 3.2049 3.2051 3.4013 3.4019
3.6575 3.6663 3.6788 3.6811 3.8951 3.8960 3.9398 3.9428
7.3126 7.3142 9.1696 9.1895 10.0633 10.0647 10.3979 10.4115
11.7768 11.8041
k =-0.1029 0.0635 0.0000 ( 4985 PWs) bands (ev):
-13.4503 -13.4502 -12.7224 -12.7214 -11.4143 -11.4138 -9.9772 -9.9755
-9.8907 -9.8866 -9.6238 -9.6159 -4.5287 -4.5271 -3.9636 -3.9595
-3.8452 -3.8378 -1.2107 -1.2004 -0.8486 -0.8411 -0.7740 -0.7739
0.1283 0.1319 0.7389 0.7602 1.4686 1.4696 1.5474 1.5561
2.4232 2.4308 2.6022 2.6115 3.2230 3.2230 3.4040 3.4048
3.6170 3.6256 3.6747 3.6762 3.8829 3.8840 3.9461 3.9490
7.3613 7.3631 9.1710 9.1935 10.0844 10.0858 10.4154 10.4304
11.7149 11.7404
k =-0.1176 0.0726 0.0000 ( 4997 PWs) bands (ev):
-13.4387 -13.4386 -12.7231 -12.7220 -11.4376 -11.4371 -9.9765 -9.9745
-9.8904 -9.8859 -9.6236 -9.6147 -4.5420 -4.5404 -3.9356 -3.9310
-3.8194 -3.8113 -1.2155 -1.2039 -0.8580 -0.8487 -0.7533 -0.7527
0.1176 0.1216 0.6921 0.7156 1.4876 1.4884 1.5588 1.5684
2.4310 2.4388 2.5740 2.5846 3.2426 3.2428 3.4071 3.4081
3.5705 3.5788 3.6733 3.6743 3.8696 3.8709 3.9529 3.9558
7.4149 7.4169 9.1733 9.1982 10.1087 10.1099 10.4340 10.4502
11.6513 11.6748
k =-0.1324 0.0816 0.0000 ( 4995 PWs) bands (ev):
-13.4256 -13.4255 -12.7238 -12.7227 -11.4635 -11.4630 -9.9758 -9.9736
-9.8899 -9.8849 -9.6235 -9.6137 -4.5555 -4.5539 -3.9044 -3.8992
-3.7917 -3.7830 -1.2204 -1.2078 -0.8685 -0.8577 -0.7298 -0.7289
0.1057 0.1101 0.6421 0.6677 1.5086 1.5088 1.5715 1.5819
2.4380 2.4456 2.5418 2.5536 3.2631 3.2636 3.4104 3.4118
3.5212 3.5294 3.6725 3.6733 3.8558 3.8572 3.9602 3.9631
7.4729 7.4750 9.1768 9.2038 10.1360 10.1370 10.4533 10.4703
11.5868 11.6083
k =-0.1471 0.0907 0.0000 ( 4997 PWs) bands (ev):
-13.4110 -13.4109 -12.7247 -12.7234 -11.4919 -11.4913 -9.9750 -9.9727
-9.8892 -9.8837 -9.6234 -9.6129 -4.5690 -4.5675 -3.8702 -3.8645
-3.7625 -3.7533 -1.2255 -1.2118 -0.8798 -0.8677 -0.7036 -0.7026
0.0928 0.0975 0.5896 0.6170 1.5306 1.5313 1.5856 1.5963
2.4440 2.4509 2.5058 2.5185 3.2838 3.2845 3.4133 3.4158
3.4709 3.4782 3.6720 3.6727 3.8422 3.8437 3.9680 3.9708
7.5343 7.5366 9.1815 9.2105 10.1662 10.1668 10.4727 10.4904
11.5219 11.5415
k =-0.1618 0.0998 0.0000 ( 5005 PWs) bands (ev):
-13.3950 -13.3948 -12.7255 -12.7242 -11.5225 -11.5219 -9.9743 -9.9719
-9.8881 -9.8822 -9.6236 -9.6123 -4.5822 -4.5809 -3.8332 -3.8270
-3.7320 -3.7223 -1.2305 -1.2159 -0.8919 -0.8786 -0.6750 -0.6740
0.0788 0.0838 0.5350 0.5641 1.5532 1.5555 1.6011 1.6116
2.4485 2.4512 2.4692 2.4793 3.3036 3.3044 3.4075 3.4200
3.4262 3.4288 3.6716 3.6721 3.8299 3.8314 3.9762 3.9790
7.5986 7.6010 9.1877 9.2184 10.1988 10.1989 10.4921 10.5101
11.4573 11.4750
k =-0.1765 0.1089 0.0000 ( 5001 PWs) bands (ev):
-13.3775 -13.3773 -12.7265 -12.7251 -11.5553 -11.5547 -9.9736 -9.9711
-9.8867 -9.8804 -9.6241 -9.6121 -4.5951 -4.5939 -3.7937 -3.7870
-3.7005 -3.6905 -1.2354 -1.2199 -0.9046 -0.8902 -0.6443 -0.6434
0.0638 0.0691 0.4790 0.5095 1.5759 1.5810 1.6186 1.6277
2.4173 2.4354 2.4527 2.4614 3.3215 3.3217 3.3635 3.3740
3.4245 3.4258 3.6705 3.6708 3.8205 3.8221 3.9848 3.9875
7.6649 7.6674 9.1954 9.2275 10.2327 10.2333 10.5112 10.5292
11.3933 11.4094
k =-0.1912 0.1179 0.0000 ( 4997 PWs) bands (ev):
-13.3587 -13.3585 -12.7274 -12.7260 -11.5899 -11.5893 -9.9729 -9.9705
-9.8850 -9.8782 -9.6249 -9.6122 -4.6075 -4.6064 -3.7519 -3.7448
-3.6683 -3.6579 -1.2401 -1.2237 -0.9177 -0.9024 -0.6116 -0.6109
0.0479 0.0535 0.4218 0.4536 1.5976 1.6071 1.6386 1.6447
2.3699 2.3890 2.4545 2.4623 3.3089 3.3222 3.3365 3.3405
3.4292 3.4296 3.6672 3.6673 3.8162 3.8178 3.9937 3.9963
7.7328 7.7354 9.2048 9.2381 10.2672 10.2689 10.5304 10.5478
11.3306 11.3451
k =-0.2059 0.1270 0.0000 ( 4997 PWs) bands (ev):
-13.3384 -13.3382 -12.7284 -12.7270 -11.6263 -11.6257 -9.9724 -9.9699
-9.8828 -9.8756 -9.6260 -9.6127 -4.6193 -4.6184 -3.7081 -3.7006
-3.6355 -3.6249 -1.2445 -1.2273 -0.9311 -0.9149 -0.5772 -0.5768
0.0311 0.0370 0.3640 0.3968 1.6170 1.6329 1.6620 1.6633
2.3188 2.3393 2.4552 2.4625 3.2594 3.2712 3.3480 3.3509
3.4340 3.4341 3.6601 3.6602 3.8190 3.8205 4.0028 4.0053
7.8016 7.8042 9.2158 9.2501 10.3010 10.3042 10.5502 10.5667
11.2694 11.2825
k =-0.2206 0.1361 0.0000 ( 4995 PWs) bands (ev):
-13.3168 -13.3166 -12.7295 -12.7280 -11.6642 -11.6637 -9.9719 -9.9694
-9.8802 -9.8726 -9.6275 -9.6137 -4.6304 -4.6296 -3.6627 -3.6548
-3.6023 -3.5916 -1.2483 -1.2305 -0.9446 -0.9277 -0.5413 -0.5412
0.0136 0.0198 0.3060 0.3396 1.6336 1.6558 1.6852 1.6886
2.2652 2.2874 2.4548 2.4616 3.2097 3.2213 3.3555 3.3583
3.4389 3.4389 3.6487 3.6490 3.8298 3.8312 4.0120 4.0145
7.8707 7.8734 9.2286 9.2638 10.3321 10.3375 10.5722 10.5869
11.2100 11.2220
k =-0.2353 0.1452 0.0000 ( 4991 PWs) bands (ev):
-13.2940 -13.2938 -12.7305 -12.7290 -11.7035 -11.7030 -9.9715 -9.9690
-9.8771 -9.8691 -9.6294 -9.6152 -4.6407 -4.6401 -3.6159 -3.6078
-3.5689 -3.5583 -1.2517 -1.2331 -0.9582 -0.9407 -0.5045 -0.5041
-0.0046 0.0019 0.2480 0.2823 1.6474 1.6740 1.7116 1.7178
2.2104 2.2342 2.4534 2.4597 3.1612 3.1727 3.3590 3.3617
3.4438 3.4439 3.6334 3.6338 3.8479 3.8493 4.0213 4.0237
7.9397 7.9425 9.2432 9.2792 10.3580 10.3663 10.5982 10.6105
11.1528 11.1637
k =-0.2500 0.1542 0.0000 ( 4983 PWs) bands (ev):
-13.2699 -13.2697 -12.7315 -12.7300 -11.7440 -11.7434 -9.9711 -9.9687
-9.8736 -9.8653 -9.6318 -9.6172 -4.6503 -4.6498 -3.5681 -3.5601
-3.5354 -3.5250 -1.2543 -1.2352 -0.9716 -0.9536 -0.4669 -0.4660
-0.0235 -0.0166 0.1906 0.2252 1.6581 1.6875 1.7413 1.7486
2.1558 2.1813 2.4509 2.4569 3.1139 3.1254 3.3588 3.3615
3.4487 3.4488 3.6153 3.6158 3.8718 3.8731 4.0305 4.0329
8.0081 8.0109 9.2598 9.2963 10.3762 10.3879 10.6303 10.6395
11.0981 11.1081
k =-0.2647 0.1633 0.0000 ( 4985 PWs) bands (ev):
-13.2446 -13.2444 -12.7326 -12.7311 -11.7854 -11.7849 -9.9709 -9.9686
-9.8696 -9.8609 -9.6347 -9.6198 -4.6591 -4.6587 -3.5198 -3.5129
-3.5010 -3.4919 -1.2562 -1.2365 -0.9847 -0.9664 -0.4287 -0.4272
-0.0430 -0.0355 0.1339 0.1687 1.6649 1.6962 1.7727 1.7807
2.1035 2.1303 2.4476 2.4533 3.0680 3.0794 3.3554 3.3580
3.4536 3.4537 3.5954 3.5960 3.9000 3.9013 4.0396 4.0419
8.0755 8.0783 9.2783 9.3153 10.3853 10.4004 10.6693 10.6757
11.0459 11.0552
k =-0.2794 0.1724 0.0000 ( 4997 PWs) bands (ev):
-13.2183 -13.2180 -12.7336 -12.7321 -11.8276 -11.8271 -9.9707 -9.9685
-9.8652 -9.8561 -9.6380 -9.6229 -4.6672 -4.6669 -3.4730 -3.4715
-3.4594 -3.4591 -1.2572 -1.2371 -0.9974 -0.9790 -0.3906 -0.3882
-0.0628 -0.0546 0.0784 0.1131 1.6663 1.6988 1.8050 1.8135
2.0561 2.0834 2.4436 2.4489 3.0234 3.0347 3.3492 3.3518
3.4585 3.4585 3.5744 3.5751 3.9310 3.9322 4.0486 4.0508
8.1415 8.1443 9.2988 9.3362 10.3854 10.4034 10.7150 10.7190
10.9965 11.0052
k =-0.2941 0.1814 0.0000 ( 5007 PWs) bands (ev):
-13.1909 -13.1906 -12.7346 -12.7331 -11.8704 -11.8700 -9.9707 -9.9685
-9.8603 -9.8508 -9.6419 -9.6265 -4.6744 -4.6742 -3.4399 -3.4295
-3.4209 -3.4120 -1.2572 -1.2367 -1.0096 -0.9911 -0.3529 -0.3496
-0.0829 -0.0737 0.0245 0.0588 1.6608 1.6929 1.8373 1.8468
2.0172 2.0433 2.4388 2.4439 2.9802 2.9914 3.3409 3.3433
3.4632 3.4632 3.5531 3.5537 3.9636 3.9648 4.0573 4.0594
8.2057 8.2085 9.3213 9.3589 10.3772 10.3975 10.7663 10.7683
10.9500 10.9583
k =-0.3088 0.1905 0.0000 ( 5003 PWs) bands (ev):
-13.1626 -13.1623 -12.7356 -12.7342 -11.9135 -11.9131 -9.9706 -9.9686
-9.8549 -9.8451 -9.6463 -9.6308 -4.6810 -4.6808 -3.4086 -3.3978
-3.3738 -3.3643 -1.2561 -1.2354 -1.0210 -1.0027 -0.3165 -0.3120
-0.1027 -0.0920 -0.0274 0.0060 1.6466 1.6763 1.8690 1.8800
1.9903 2.0124 2.4336 2.4384 2.9383 2.9494 3.3308 3.3332
3.4678 3.4678 3.5317 3.5324 3.9969 3.9980 4.0657 4.0677
8.2676 8.2705 9.3459 9.3837 10.3620 10.3840 10.8217 10.8220
10.9067 10.9151
k =-0.3235 0.1996 0.0000 ( 4991 PWs) bands (ev):
-13.1335 -13.1332 -12.7365 -12.7352 -11.9568 -11.9564 -9.9707 -9.9688
-9.8491 -9.8389 -9.6511 -9.6355 -4.6868 -4.6867 -3.3784 -3.3679
-3.3271 -3.3175 -1.2540 -1.2332 -1.0316 -1.0137 -0.2830 -0.2769
-0.1212 -0.1087 -0.0769 -0.0447 1.6233 1.6485 1.8986 1.9123
1.9775 1.9924 2.4278 2.4324 2.8979 2.9088 3.3196 3.3218
3.4721 3.4723 3.5106 3.5114 4.0300 4.0310 4.0738 4.0756
8.3271 8.3299 9.3726 9.4105 10.3406 10.3641 10.8634 10.8642
10.8833 10.8900
k =-0.3382 0.2087 0.0000 ( 4983 PWs) bands (ev):
-13.1037 -13.1034 -12.7374 -12.7361 -11.9999 -11.9996 -9.9708 -9.9690
-9.8428 -9.8324 -9.6564 -9.6408 -4.6919 -4.6918 -3.3495 -3.3395
-3.2817 -3.2723 -1.2509 -1.2301 -1.0413 -1.0240 -0.2552 -0.2478
-0.1357 -0.1230 -0.1217 -0.0924 1.5919 1.6119 1.9231 1.9416
1.9799 1.9849 2.4215 2.4260 2.8590 2.8696 3.3076 3.3096
3.4758 3.4764 3.4902 3.4914 4.0622 4.0629 4.0818 4.0832
8.3837 8.3864 9.4014 9.4393 10.3140 10.3388 10.8279 10.8333
10.9425 10.9436
k =-0.3529 0.2177 0.0000 ( 4995 PWs) bands (ev):
-13.0735 -13.0732 -12.7382 -12.7370 -12.0426 -12.0424 -9.9709 -9.9693
-9.8362 -9.8254 -9.6622 -9.6466 -4.6963 -4.6963 -3.3221 -3.3127
-3.2381 -3.2291 -1.2466 -1.2260 -1.0500 -1.0335 -0.2383 -0.2333
-0.1647 -0.1435 -0.1388 -0.1193 1.5549 1.5700 1.9402 1.9599
1.9954 1.9967 2.4149 2.4192 2.8218 2.8320 3.2951 3.2970
3.4698 3.4703 3.4807 3.4817 4.0863 4.0886 4.0947 4.0964
8.4370 8.4396 9.4323 9.4702 10.2828 10.3087 10.7938 10.7992
11.0051 11.0054
k =-0.3676 0.2268 0.0000 ( 4987 PWs) bands (ev):
-13.0430 -13.0427 -12.7390 -12.7379 -12.0847 -12.0845 -9.9711 -9.9696
-9.8292 -9.8182 -9.6683 -9.6529 -4.7002 -4.7002 -3.2964 -3.2876
-3.1970 -3.1883 -1.2414 -1.2212 -1.0575 -1.0421 -0.2422 -0.2365
-0.1987 -0.1847 -0.1244 -0.1104 1.5152 1.5262 1.9526 1.9676
2.0212 2.0220 2.4080 2.4121 2.7864 2.7961 3.2826 3.2843
3.4519 3.4520 3.4843 3.4847 4.0940 4.0959 4.1231 4.1244
8.4867 8.4892 9.4652 9.5030 10.2477 10.2747 10.7627 10.7679
11.0686 11.0688
k =-0.3824 0.2359 0.0000 ( 4979 PWs) bands (ev):
-13.0126 -13.0123 -12.7397 -12.7387 -12.1257 -12.1255 -9.9712 -9.9699
-9.8219 -9.8107 -9.6748 -9.6596 -4.7035 -4.7035 -3.2727 -3.2646
-3.1586 -3.1504 -1.2354 -1.2159 -1.0639 -1.0498 -0.2679 -0.2475
-0.2243 -0.2228 -0.0999 -0.0903 1.4751 1.4829 1.9640 1.9744
2.0498 2.0503 2.4007 2.4047 2.7532 2.7623 3.2703 3.2719
3.4346 3.4348 3.4877 3.4880 4.1001 4.1017 4.1501 4.1513
8.5325 8.5348 9.5003 9.5379 10.2093 10.2373 10.7348 10.7396
11.1324 11.1328
k =-0.3971 0.2449 0.0000 ( 4971 PWs) bands (ev):
-12.9826 -12.9824 -12.7403 -12.7394 -12.1651 -12.1649 -9.9714 -9.9702
-9.8144 -9.8031 -9.6815 -9.6666 -4.7063 -4.7063 -3.2510 -3.2437
-3.1235 -3.1160 -1.2287 -1.2101 -1.0691 -1.0565 -0.2980 -0.2703
-0.2513 -0.2457 -0.0731 -0.0664 1.4364 1.4418 1.9752 1.9822
2.0777 2.0790 2.3931 2.3970 2.7224 2.7309 3.2586 3.2599
3.4188 3.4190 3.4908 3.4910 4.1054 4.1068 4.1747 4.1758
8.5740 8.5761 9.5373 9.5747 10.1681 10.1970 10.7100 10.7145
11.1960 11.1966
k =-0.4118 0.2540 0.0000 ( 4973 PWs) bands (ev):
-12.9535 -12.9533 -12.7409 -12.7401 -12.2024 -12.2023 -9.9716 -9.9705
-9.8067 -9.7953 -9.6884 -9.6739 -4.7086 -4.7086 -3.2316 -3.2252
-3.0920 -3.0853 -1.2216 -1.2044 -1.0732 -1.0623 -0.3266 -0.3005
-0.2704 -0.2653 -0.0474 -0.0426 1.4007 1.4043 1.9860 1.9906
2.1045 2.1063 2.3853 2.3890 2.6945 2.7021 3.2477 3.2489
3.4047 3.4049 3.4935 3.4937 4.1101 4.1113 4.1966 4.1975
8.6108 8.6128 9.5762 9.6133 10.1247 10.1545 10.6886 10.6925
11.2589 11.2596
k =-0.4265 0.2631 0.0000 ( 4978 PWs) bands (ev):
-12.9261 -12.9259 -12.7414 -12.7407 -12.2370 -12.2369 -9.9717 -9.9708
-9.7989 -9.7878 -9.6952 -9.6814 -4.7105 -4.7105 -3.2147 -3.2093
-3.0646 -3.0587 -1.2145 -1.1990 -1.0761 -1.0671 -0.3516 -0.3290
-0.2869 -0.2830 -0.0241 -0.0206 1.3690 1.3713 1.9961 1.9989
2.1294 2.1315 2.3775 2.3810 2.6698 2.6765 3.2379 3.2389
3.3924 3.3926 3.4959 3.4960 4.1141 4.1151 4.2155 4.2163
8.6427 8.6444 9.6169 9.6537 10.0795 10.1102 10.6703 10.6737
11.3206 11.3214
k =-0.4412 0.2722 0.0000 ( 4976 PWs) bands (ev):
-12.9011 -12.9010 -12.7417 -12.7412 -12.2678 -12.2678 -9.9718 -9.9711
-9.7912 -9.7805 -9.7018 -9.6889 -4.7120 -4.7120 -3.2006 -3.1961
-3.0415 -3.0367 -1.2076 -1.1943 -1.0781 -1.0710 -0.3724 -0.3538
-0.3014 -0.2986 -0.0041 -0.0016 1.3420 1.3434 2.0050 2.0066
2.1517 2.1539 2.3698 2.3730 2.6489 2.6545 3.2295 3.2303
3.3821 3.3822 3.4978 3.4979 4.1174 4.1182 4.2312 4.2319
8.6693 8.6707 9.6593 9.6957 10.0330 10.0645 10.6554 10.6582
11.3804 11.3813
k =-0.4559 0.2812 0.0000 ( 4962 PWs) bands (ev):
-12.8797 -12.8796 -12.7420 -12.7416 -12.2939 -12.2939 -9.9719 -9.9714
-9.7838 -9.7741 -9.7076 -9.6962 -4.7131 -4.7131 -3.1892 -3.1858
-3.0231 -3.0194 -1.2012 -1.1907 -1.0792 -1.0740 -0.3883 -0.3740
-0.3134 -0.3116 0.0120 0.0137 1.3204 1.3212 2.0125 2.0133
2.1709 2.1729 2.3627 2.3654 2.6322 2.6366 3.2227 3.2233
3.3740 3.3741 3.4994 3.4995 4.1200 4.1206 4.2437 4.2442
8.6904 8.6915 9.7032 9.7392 9.9856 10.0179 10.6438 10.6460
11.4377 11.4386
k =-0.4706 0.2903 0.0000 ( 4968 PWs) bands (ev):
-12.8630 -12.8629 -12.7422 -12.7419 -12.3139 -12.3139 -9.9719 -9.9716
-9.7770 -9.7693 -9.7119 -9.7031 -4.7139 -4.7139 -3.1809 -3.1786
-3.0095 -3.0070 -1.1959 -1.1885 -1.0796 -1.0762 -0.3992 -0.3895
-0.3225 -0.3213 0.0238 0.0249 1.3047 1.3051 2.0180 2.0184
2.1859 2.1875 2.3567 2.3588 2.6202 2.6232 3.2178 3.2182
3.3681 3.3681 3.5005 3.5005 4.1219 4.1223 4.2526 4.2530
8.7057 8.7064 9.7485 9.7839 9.9378 9.9708 10.6356 10.6371
11.4916 11.4924
k =-0.4853 0.2994 0.0000 ( 4968 PWs) bands (ev):
-12.8523 -12.8523 -12.7423 -12.7421 -12.3265 -12.3265 -9.9719 -9.9717
-9.7714 -9.7669 -9.7139 -9.7089 -4.7143 -4.7143 -3.1756 -3.1744
-3.0011 -2.9998 -1.1917 -1.1879 -1.0795 -1.0778 -0.4047 -0.3998
-0.3280 -0.3274 0.0312 0.0317 1.2951 1.2953 2.0215 2.0217
2.1958 2.1967 2.3529 2.3540 2.6131 2.6146 3.2147 3.2149
3.3645 3.3646 3.5012 3.5012 4.1230 4.1233 4.2581 4.2583
8.7150 8.7154 9.7947 9.8295 9.8899 9.9235 10.6309 10.6316
11.5396 11.5403
k =-0.5000 0.3085 0.0000 ( 4976 PWs) bands (ev):
-12.8486 -12.8486 -12.7422 -12.7422 -12.3309 -12.3309 -9.9718 -9.9718
-9.7677 -9.7677 -9.7128 -9.7128 -4.7145 -4.7145 -3.1734 -3.1734
-2.9978 -2.9978 -1.1890 -1.1890 -1.0789 -1.0789 -0.4049 -0.4049
-0.3297 -0.3297 0.0338 0.0338 1.2920 1.2920 2.0227 2.0227
2.1996 2.1996 2.3519 2.3519 2.6112 2.6112 3.2138 3.2138
3.3633 3.3633 3.5014 3.5014 4.1235 4.1235 4.2600 4.2600
8.7182 8.7182 9.8417 9.8417 9.8767 9.8767 10.6295 10.6295
11.5671 11.5671
k =-0.5000 0.3085 0.0000 ( 4976 PWs) bands (ev):
-12.8486 -12.8486 -12.7422 -12.7422 -12.3309 -12.3309 -9.9718 -9.9718
-9.7677 -9.7677 -9.7128 -9.7128 -4.7145 -4.7145 -3.1734 -3.1734
-2.9978 -2.9978 -1.1890 -1.1890 -1.0789 -1.0789 -0.4049 -0.4049
-0.3297 -0.3297 0.0338 0.0338 1.2920 1.2920 2.0227 2.0227
2.1996 2.1996 2.3519 2.3519 2.6112 2.6112 3.2138 3.2138
3.3633 3.3633 3.5014 3.5014 4.1235 4.1235 4.2600 4.2600
8.7182 8.7182 9.8417 9.8417 9.8767 9.8767 10.6295 10.6295
11.5671 11.5671
k =-0.4909 0.3232-0.0000 ( 4968 PWs) bands (ev):
-12.8490 -12.8489 -12.7424 -12.7423 -12.3299 -12.3298 -9.9844 -9.9766
-9.7651 -9.7556 -9.7126 -9.7116 -4.7142 -4.7140 -3.1916 -3.1893
-2.9795 -2.9753 -1.2345 -1.1800 -1.0868 -1.0330 -0.4210 -0.4122
-0.3309 -0.3304 0.0409 0.0459 1.2930 1.2933 2.0166 2.0227
2.1952 2.2039 2.3522 2.3527 2.6087 2.6100 3.2148 3.2169
3.3622 3.3632 3.5027 3.5028 4.1208 4.1211 4.2596 4.2606
8.7203 8.7207 9.8407 9.8431 9.8741 9.8787 10.6286 10.6297
11.5596 11.5692
k =-0.4818 0.3380-0.0000 ( 4968 PWs) bands (ev):
-12.8500 -12.8498 -12.7427 -12.7426 -12.3269 -12.3268 -10.0099 -9.9972
-9.7494 -9.7334 -9.7108 -9.7088 -4.7130 -4.7127 -3.2295 -3.2268
-2.9329 -2.9263 -1.2861 -1.2191 -1.0454 -0.9798 -0.4556 -0.4401
-0.3354 -0.3337 0.0655 0.0742 1.2965 1.2972 2.0047 2.0161
2.1910 2.2077 2.3536 2.3546 2.6025 2.6051 3.2198 3.2240
3.3599 3.3619 3.5065 3.5068 4.1132 4.1136 4.2594 4.2612
8.7271 8.7278 9.8398 9.8438 9.8723 9.8806 10.6269 10.6291
11.5473 11.5659
k =-0.4727 0.3528-0.0000 ( 4968 PWs) bands (ev):
-12.8517 -12.8514 -12.7431 -12.7430 -12.3219 -12.3217 -10.0433 -10.0282
-9.7274 -9.7109 -9.7064 -9.6998 -4.7111 -4.7105 -3.2729 -3.2705
-2.8734 -2.8652 -1.3382 -1.2682 -0.9925 -0.9246 -0.5025 -0.4822
-0.3445 -0.3413 0.1026 0.1133 1.3025 1.3035 1.9876 2.0032
2.1869 2.2105 2.3560 2.3576 2.5930 2.5968 3.2283 3.2345
3.3566 3.3594 3.5129 3.5135 4.1013 4.1018 4.2588 4.2613
8.7383 8.7395 9.8372 9.8404 9.8747 9.8842 10.6245 10.6277
11.5307 11.5574
k =-0.4636 0.3675-0.0000 ( 4970 PWs) bands (ev):
-12.8541 -12.8537 -12.7437 -12.7435 -12.3149 -12.3146 -10.0812 -10.0651
-9.7112 -9.7032 -9.6913 -9.6727 -4.7083 -4.7076 -3.3166 -3.3147
-2.8068 -2.7974 -1.3897 -1.3184 -0.9372 -0.8687 -0.5571 -0.5331
-0.3580 -0.3533 0.1472 0.1588 1.3109 1.3122 1.9658 1.9844
2.1825 2.2117 2.3595 2.3616 2.5807 2.5856 3.2399 3.2479
3.3525 3.3559 3.5216 3.5227 4.0860 4.0864 4.2573 4.2603
8.7541 8.7557 9.8311 9.8312 9.8833 9.8914 10.6213 10.6253
11.5107 11.5443
k =-0.4545 0.3823-0.0000 ( 4970 PWs) bands (ev):
-12.8572 -12.8568 -12.7444 -12.7442 -12.3058 -12.3054 -10.1217 -10.1054
-9.7041 -9.6971 -9.6649 -9.6425 -4.7048 -4.7039 -3.3586 -3.3575
-2.7353 -2.7247 -1.4397 -1.3678 -0.8813 -0.8126 -0.6165 -0.5894
-0.3758 -0.3696 0.1957 0.2076 1.3217 1.3234 1.9399 1.9603
2.1775 2.2110 2.3640 2.3667 2.5663 2.5721 3.2537 3.2634
3.3477 3.3517 3.5328 3.5345 4.0679 4.0680 4.2543 4.2577
8.7744 8.7764 9.8173 9.8210 9.8968 9.9029 10.6172 10.6220
11.4878 11.5273
k =-0.4453 0.3970-0.0000 ( 4970 PWs) bands (ev):
-12.8611 -12.8606 -12.7452 -12.7449 -12.2947 -12.2943 -10.1640 -10.1478
-9.6978 -9.6902 -9.6369 -9.6127 -4.7006 -4.6995 -3.3985 -3.3980
-2.6600 -2.6482 -1.4879 -1.4156 -0.8260 -0.7576 -0.6780 -0.6484
-0.3977 -0.3901 0.2459 0.2575 1.3348 1.3369 1.9100 1.9314
2.1712 2.2081 2.3694 2.3728 2.5502 2.5569 3.2689 3.2802
3.3425 3.3469 3.5464 3.5488 4.0476 4.0477 4.2496 4.2532
8.7990 8.8015 9.7997 9.8067 9.9146 9.9188 10.6122 10.6175
11.4630 11.5071
k =-0.4362 0.4118-0.0000 ( 4978 PWs) bands (ev):
-12.8658 -12.8652 -12.7459 -12.7456 -12.2817 -12.2812 -10.2074 -10.1915
-9.6907 -9.6823 -9.6095 -9.5839 -4.6956 -4.6944 -3.4360 -3.4359
-2.5812 -2.5682 -1.5340 -1.4613 -0.7755 -0.7480 -0.7047 -0.6960
-0.4235 -0.4145 0.2961 0.3073 1.3504 1.3529 1.8767 1.8985
2.1633 2.2030 2.3756 2.3796 2.5331 2.5407 3.2846 3.2972
3.3374 3.3419 3.5625 3.5655 4.0255 4.0260 4.2430 4.2466
8.8280 8.8309 9.7790 9.7887 9.9365 9.9391 10.6061 10.6118
11.4367 11.4844
k =-0.4271 0.4266-0.0000 ( 4986 PWs) bands (ev):
-12.8714 -12.8707 -12.7466 -12.7463 -12.2666 -12.2660 -10.2514 -10.2360
-9.6828 -9.6734 -9.5832 -9.5567 -4.6900 -4.6887 -3.4715 -3.4709
-2.4994 -2.4852 -1.5774 -1.5046 -0.8113 -0.7854 -0.7023 -0.6426
-0.4532 -0.4427 0.3452 0.3559 1.3682 1.3711 1.8402 1.8619
2.1536 2.1954 2.3823 2.3872 2.5156 2.5241 3.2997 3.3122
3.3338 3.3373 3.5809 3.5847 4.0024 4.0033 4.2343 4.2379
8.8610 8.8644 9.7552 9.7671 9.9624 9.9635 10.5988 10.6047
11.4095 11.4598
k =-0.4180 0.4413-0.0000 ( 4982 PWs) bands (ev):
-12.8779 -12.8771 -12.7472 -12.7469 -12.2496 -12.2489 -10.2957 -10.2809
-9.6740 -9.6636 -9.5586 -9.5313 -4.6839 -4.6824 -3.5047 -3.5034
-2.4150 -2.3995 -1.6178 -1.5450 -0.8770 -0.8449 -0.6514 -0.5876
-0.4867 -0.4743 0.3926 0.4027 1.3884 1.3917 1.8008 1.8222
2.1418 2.1853 2.3894 2.3953 2.4983 2.5077 3.3112 3.3172
3.3357 3.3395 3.6018 3.6061 3.9786 3.9800 4.2236 4.2271
8.8981 8.9020 9.7284 9.7422 9.9923 9.9924 10.5901 10.5961
11.3818 11.4335
k =-0.4089 0.4561-0.0000 ( 4982 PWs) bands (ev):
-12.8852 -12.8845 -12.7477 -12.7474 -12.2306 -12.2298 -10.3401 -10.3258
-9.6642 -9.6528 -9.5359 -9.5079 -4.6772 -4.6756 -3.5355 -3.5338
-2.3284 -2.3114 -1.6546 -1.5821 -0.9429 -0.9079 -0.5988 -0.5332
-0.5236 -0.5084 0.4373 0.4470 1.4107 1.4145 1.7590 1.7799
2.1277 2.1727 2.3963 2.4032 2.4821 2.4925 3.3129 3.3134
3.3424 3.3534 3.6249 3.6297 3.9546 3.9564 4.2109 4.2143
8.9391 8.9435 9.6989 9.7142 10.0253 10.0267 10.5799 10.5858
11.3538 11.4050
k =-0.3998 0.4709-0.0000 ( 4986 PWs) bands (ev):
-12.8936 -12.8928 -12.7481 -12.7477 -12.2097 -12.2087 -10.3844 -10.3707
-9.6535 -9.6410 -9.5151 -9.4865 -4.6701 -4.6684 -3.5644 -3.5622
-2.2401 -2.2214 -1.6872 -1.6151 -1.0084 -0.9712 -0.5653 -0.5648
-0.5269 -0.4787 0.4789 0.4881 1.4351 1.4394 1.7153 1.7357
2.1113 2.1575 2.4019 2.4097 2.4685 2.4795 3.3066 3.3090
3.3546 3.3681 3.6500 3.6552 3.9308 3.9329 4.1966 4.1997
8.9837 8.9887 9.6666 9.6830 10.0626 10.0652 10.5679 10.5737
11.3254 11.3723
k =-0.3907 0.4856-0.0000 ( 4990 PWs) bands (ev):
-12.9028 -12.9020 -12.7483 -12.7480 -12.1868 -12.1857 -10.4285 -10.4153
-9.6420 -9.6285 -9.4963 -9.4673 -4.6626 -4.6608 -3.5914 -3.5889
-2.1511 -2.1302 -1.7144 -1.6434 -1.0733 -1.0339 -0.6091 -0.5983
-0.4828 -0.4250 0.5166 0.5256 1.4614 1.4663 1.6702 1.6902
2.0926 2.1397 2.4046 2.4119 2.4606 2.4710 3.2998 3.3027
3.3676 3.3821 3.6768 3.6822 3.9073 3.9099 4.1807 4.1836
9.0319 9.0375 9.6316 9.6490 10.1044 10.1081 10.5541 10.5596
11.2957 11.3333
k =-0.3816 0.5004-0.0000 ( 4982 PWs) bands (ev):
-12.9130 -12.9122 -12.7483 -12.7480 -12.1619 -12.1608 -10.4720 -10.4594
-9.6296 -9.6151 -9.4797 -9.4503 -4.6548 -4.6530 -3.6170 -3.6141
-2.0634 -2.0391 -1.7341 -1.6655 -1.1370 -1.0957 -0.6569 -0.6437
-0.4302 -0.3719 0.5498 0.5587 1.4891 1.4946 1.6249 1.6445
2.0714 2.1194 2.4024 2.4070 2.4613 2.4687 3.2927 3.2958
3.3801 3.3951 3.7049 3.7105 3.8846 3.8874 4.1636 4.1661
9.0834 9.0896 9.5941 9.6122 10.1506 10.1554 10.5382 10.5434
11.2626 11.2892
k =-0.3725 0.5152-0.0000 ( 4984 PWs) bands (ev):
-12.9242 -12.9233 -12.7482 -12.7479 -12.1352 -12.1339 -10.5150 -10.5030
-9.6166 -9.6010 -9.4652 -9.4354 -4.6469 -4.6450 -3.6415 -3.6383
-1.9818 -1.9512 -1.7415 -1.6782 -1.1995 -1.1563 -0.7081 -0.6934
-0.3772 -0.3193 0.5778 0.5867 1.5165 1.5222 1.5821 1.6010
2.0478 2.0965 2.3957 2.3971 2.4686 2.4726 3.2855 3.2885
3.3919 3.4070 3.7341 3.7397 3.8627 3.8658 4.1454 4.1476
9.1380 9.1449 9.5542 9.5728 10.2012 10.2070 10.5202 10.5251
11.2230 11.2420
k =-0.3634 0.5299-0.0000 ( 4980 PWs) bands (ev):
-12.9362 -12.9353 -12.7479 -12.7477 -12.1065 -12.1052 -10.5573 -10.5458
-9.6028 -9.5863 -9.4528 -9.4228 -4.6389 -4.6369 -3.6650 -3.6616
-1.9178 -1.8743 -1.7249 -1.6736 -1.2602 -1.2152 -0.7625 -0.7466
-0.3243 -0.2672 0.5997 0.6089 1.5210 1.5280 1.5705 1.5761
2.0218 2.0711 2.3857 2.3865 2.4791 2.4806 3.2783 3.2812
3.4029 3.4178 3.7637 3.7693 3.8418 3.8452 4.1266 4.1284
9.1956 9.2031 9.5119 9.5308 10.2562 10.2628 10.5001 10.5046
11.1771 11.1928
k =-0.3543 0.5447-0.0000 ( 4980 PWs) bands (ev):
-12.9491 -12.9482 -12.7475 -12.7472 -12.0760 -12.0745 -10.5988 -10.5878
-9.5885 -9.5710 -9.4425 -9.4123 -4.6309 -4.6289 -3.6881 -3.6844
-1.8839 -1.8239 -1.6720 -1.6361 -1.3190 -1.2723 -0.8200 -0.8032
-0.2718 -0.2156 0.6148 0.6245 1.4822 1.4971 1.5970 1.5999
1.9935 2.0432 2.3745 2.3767 2.4909 2.4911 3.2712 3.2738
3.4130 3.4277 3.7936 3.7989 3.8222 3.8258 4.1073 4.1088
9.2558 9.2640 9.4673 9.4863 10.3151 10.3225 10.4780 10.4822
11.1274 11.1423
k =-0.3451 0.5595-0.0000 ( 4976 PWs) bands (ev):
-12.9628 -12.9620 -12.7469 -12.7467 -12.0437 -12.0420 -10.6393 -10.6289
-9.5737 -9.5552 -9.4342 -9.4040 -4.6231 -4.6211 -3.7109 -3.7069
-1.8717 -1.8028 -1.5913 -1.5632 -1.3752 -1.3273 -0.8806 -0.8629
-0.2195 -0.1644 0.6222 0.6326 1.4415 1.4579 1.6305 1.6353
1.9629 2.0129 2.3643 2.3675 2.5023 2.5038 3.2642 3.2665
3.4222 3.4367 3.8036 3.8069 3.8235 3.8291 4.0879 4.0890
9.3185 9.3274 9.4207 9.4396 10.3766 10.3841 10.4552 10.4597
11.0758 11.0908
k =-0.3451 0.5595-0.0000 ( 4976 PWs) bands (ev):
-12.9628 -12.9620 -12.7469 -12.7467 -12.0437 -12.0420 -10.6393 -10.6289
-9.5737 -9.5552 -9.4342 -9.4040 -4.6231 -4.6211 -3.7109 -3.7069
-1.8717 -1.8028 -1.5913 -1.5632 -1.3752 -1.3273 -0.8806 -0.8629
-0.2195 -0.1644 0.6222 0.6326 1.4415 1.4579 1.6305 1.6353
1.9629 2.0129 2.3643 2.3675 2.5023 2.5038 3.2642 3.2665
3.4222 3.4367 3.8036 3.8069 3.8235 3.8291 4.0879 4.0890
9.3185 9.3274 9.4207 9.4396 10.3766 10.3841 10.4552 10.4597
11.0758 11.0908
k =-0.3451 0.5595 0.0173 ( 4988 PWs) bands (ev):
-12.9626 -12.9617 -12.7469 -12.7468 -12.0426 -12.0410 -10.6388 -10.6284
-9.5765 -9.5580 -9.4353 -9.4051 -4.6195 -4.6175 -3.7119 -3.7079
-1.8681 -1.7998 -1.5959 -1.5678 -1.3736 -1.3256 -0.8827 -0.8650
-0.2144 -0.1597 0.6227 0.6331 1.4402 1.4563 1.6311 1.6359
1.9630 2.0124 2.3577 2.3605 2.5084 2.5095 3.2635 3.2656
3.4236 3.4380 3.8032 3.8064 3.8238 3.8294 4.0872 4.0883
9.3173 9.3260 9.4189 9.4378 10.3764 10.3839 10.4467 10.4511
11.0830 11.0982
k =-0.3451 0.5595 0.0346 ( 4984 PWs) bands (ev):
-12.9619 -12.9610 -12.7471 -12.7469 -12.0394 -12.0378 -10.6373 -10.6269
-9.5849 -9.5665 -9.4386 -9.4086 -4.6086 -4.6069 -3.7148 -3.7108
-1.8579 -1.7915 -1.6092 -1.5805 -1.3687 -1.3206 -0.8890 -0.8715
-0.1992 -0.1459 0.6243 0.6345 1.4364 1.4515 1.6326 1.6375
1.9631 2.0110 2.3404 2.3424 2.5237 2.5242 3.2613 3.2632
3.4276 3.4416 3.8018 3.8051 3.8245 3.8300 4.0850 4.0860
9.3140 9.3221 9.4136 9.4325 10.3744 10.3819 10.4237 10.4285
11.1034 11.1188
k =-0.3451 0.5595 0.0519 ( 4990 PWs) bands (ev):
-12.9607 -12.9599 -12.7473 -12.7472 -12.0341 -12.0325 -10.6348 -10.6245
-9.5987 -9.5805 -9.4441 -9.4143 -4.5907 -4.5893 -3.7195 -3.7154
-1.8429 -1.7812 -1.6286 -1.5975 -1.3605 -1.3123 -0.8994 -0.8821
-0.1751 -0.1237 0.6268 0.6369 1.4300 1.4436 1.6352 1.6401
1.9630 2.0085 2.3165 2.3179 2.5436 2.5439 3.2579 3.2594
3.4340 3.4474 3.7995 3.8028 3.8257 3.8311 4.0813 4.0823
9.3088 9.3160 9.4047 9.4236 10.3611 10.3669 10.3997 10.4066
11.1334 11.1488
k =-0.3451 0.5595 0.0692 ( 4986 PWs) bands (ev):
-12.9591 -12.9582 -12.7477 -12.7475 -12.0268 -12.0252 -10.6313 -10.6211
-9.6179 -9.6000 -9.4517 -9.4223 -4.5659 -4.5649 -3.7256 -3.7215
-1.8282 -1.7764 -1.6486 -1.6103 -1.3491 -1.3008 -0.9138 -0.8968
-0.1432 -0.0943 0.6304 0.6402 1.4212 1.4329 1.6388 1.6438
1.9625 2.0047 2.2890 2.2897 2.5652 2.5661 3.2536 3.2546
3.4422 3.4549 3.7963 3.7995 3.8272 3.8325 4.0761 4.0771
9.3024 9.3084 9.3923 9.4112 10.3218 10.3263 10.3936 10.4023
11.1688 11.1841
k =-0.3451 0.5595 0.0865 ( 4986 PWs) bands (ev):
-12.9570 -12.9561 -12.7481 -12.7479 -12.0173 -12.0157 -10.6268 -10.6167
-9.6421 -9.6246 -9.4615 -9.4325 -4.5344 -4.5339 -3.7329 -3.7287
-1.8249 -1.7889 -1.6571 -1.6060 -1.3347 -1.2865 -0.9319 -0.9152
-0.1051 -0.0592 0.6350 0.6445 1.4103 1.4195 1.6434 1.6483
1.9611 1.9993 2.2594 2.2596 2.5876 2.5891 3.2486 3.2491
3.4518 3.4638 3.7921 3.7953 3.8290 3.8341 4.0696 4.0705
9.2955 9.3000 9.3765 9.3953 10.2700 10.2744 10.3954 10.4051
11.2061 11.2207
k =-0.3451 0.5595 0.1038 ( 4986 PWs) bands (ev):
-12.9545 -12.9536 -12.7486 -12.7485 -12.0056 -12.0042 -10.6213 -10.6113
-9.6712 -9.6541 -9.4733 -9.4448 -4.4967 -4.4965 -3.7409 -3.7367
-1.8448 -1.8226 -1.6414 -1.5797 -1.3175 -1.2697 -0.9533 -0.9367
-0.0625 -0.0196 0.6406 0.6497 1.3972 1.4039 1.6487 1.6535
1.9584 1.9921 2.2283 2.2287 2.6101 2.6121 3.2432 3.2434
3.4624 3.4737 3.7871 3.7902 3.8310 3.8359 4.0616 4.0624
9.2889 9.2917 9.3574 9.3760 10.2141 10.2186 10.3998 10.4102
11.2421 11.2555
k =-0.3451 0.5595 0.1211 ( 4982 PWs) bands (ev):
-12.9515 -12.9506 -12.7493 -12.7492 -11.9920 -11.9905 -10.6147 -10.6049
-9.7049 -9.6883 -9.4871 -9.4592 -4.4535 -4.4526 -3.7492 -3.7450
-1.8855 -1.8712 -1.6034 -1.5368 -1.2981 -1.2512 -0.9773 -0.9606
-0.0166 0.0231 0.6473 0.6560 1.3824 1.3863 1.6546 1.6592
1.9540 1.9827 2.1966 2.1975 2.6326 2.6349 3.2375 3.2377
3.4736 3.4842 3.7812 3.7842 3.8330 3.8377 4.0524 4.0531
9.2834 9.2843 9.3351 9.3535 10.1574 10.1619 10.4058 10.4170
11.2740 11.2858
k =-0.3451 0.5595 0.1384 ( 4981 PWs) bands (ev):
-12.9482 -12.9473 -12.7500 -12.7499 -11.9762 -11.9748 -10.6072 -10.5975
-9.7428 -9.7267 -9.5029 -9.4756 -4.4048 -4.4031 -3.7573 -3.7533
-1.9384 -1.9288 -1.5512 -1.4828 -1.2776 -1.2327 -1.0027 -0.9850
0.0313 0.0678 0.6550 0.6632 1.3658 1.3668 1.6609 1.6651
1.9474 1.9709 2.1649 2.1663 2.6547 2.6575 3.2317 3.2322
3.4852 3.4951 3.7744 3.7772 3.8349 3.8393 4.0418 4.0424
9.2789 9.2796 9.3102 9.3278 10.1016 10.1063 10.4133 10.4251
11.2992 11.3092
k =-0.3451 0.5595 0.1557 ( 4983 PWs) bands (ev):
-12.9445 -12.9435 -12.7509 -12.7509 -11.9583 -11.9571 -10.5986 -10.5891
-9.7847 -9.7691 -9.5205 -9.4940 -4.3509 -4.3483 -3.7650 -3.7611
-1.9984 -1.9919 -1.4896 -1.4206 -1.2584 -1.2174 -1.0269 -1.0065
0.0800 0.1133 0.6637 0.6714 1.3459 1.3477 1.6671 1.6709
1.9383 1.9562 2.1337 2.1356 2.6767 2.6797 3.2260 3.2268
3.4968 3.5060 3.7668 3.7695 3.8364 3.8406 4.0301 4.0305
9.2747 9.2758 9.2865 9.2996 10.0482 10.0532 10.4220 10.4344
11.3154 11.3238
k =-0.3451 0.5595 0.1730 ( 4983 PWs) bands (ev):
-12.9403 -12.9394 -12.7520 -12.7519 -11.9384 -11.9372 -10.5889 -10.5797
-9.8301 -9.8151 -9.5398 -9.5142 -4.2922 -4.2887 -3.7717 -3.7680
-2.0627 -2.0587 -1.4212 -1.3519 -1.2450 -1.2115 -1.0450 -1.0188
0.1286 0.1589 0.6735 0.6805 1.3236 1.3282 1.6728 1.6760
1.9262 1.9386 2.1036 2.1059 2.6984 2.7017 3.2207 3.2216
3.5082 3.5168 3.7585 3.7609 3.8375 3.8413 4.0173 4.0175
9.2495 9.2663 9.2788 9.2842 9.9982 10.0034 10.4319 10.4449
11.3211 11.3284
k =-0.3451 0.5595 0.1903 ( 4979 PWs) bands (ev):
-12.9359 -12.9350 -12.7531 -12.7531 -11.9164 -11.9154 -10.5782 -10.5693
-9.8787 -9.8644 -9.5608 -9.5360 -4.2291 -4.2247 -3.7772 -3.7738
-2.1299 -2.1280 -1.3483 -1.2779 -1.2441 -1.2217 -1.0495 -1.0150
0.1764 0.2037 0.6842 0.6906 1.3002 1.3073 1.6774 1.6799
1.9110 1.9177 2.0749 2.0778 2.7200 2.7236 3.2158 3.2168
3.5193 3.5272 3.7496 3.7517 3.8378 3.8413 4.0034 4.0035
9.2180 9.2345 9.2825 9.2906 9.9523 9.9576 10.4429 10.4564
11.3156 11.3224
k =-0.3451 0.5595 0.2076 ( 4975 PWs) bands (ev):
-12.9311 -12.9302 -12.7544 -12.7544 -11.8924 -11.8915 -10.5665 -10.5579
-9.9302 -9.9165 -9.5834 -9.5595 -4.1621 -4.1567 -3.7812 -3.7780
-2.1990 -2.1988 -1.2862 -1.2495 -1.2458 -1.1988 -1.0355 -0.9941
0.2228 0.2471 0.6959 0.7016 1.2755 1.2852 1.6805 1.6820
1.8925 1.8935 2.0483 2.0516 2.7416 2.7453 3.2113 3.2123
3.5298 3.5372 3.7403 3.7420 3.8373 3.8404 3.9885 3.9886
9.1852 9.2006 9.2917 9.3019 9.9107 9.9161 10.4549 10.4688
11.2990 11.3059
k =-0.3451 0.5595 0.2249 ( 4973 PWs) bands (ev):
-12.9260 -12.9251 -12.7559 -12.7559 -11.8664 -11.8655 -10.5537 -10.5455
-9.9842 -9.9711 -9.6074 -9.5845 -4.0915 -4.0852 -3.7833 -3.7805
-2.2706 -2.2693 -1.3046 -1.2891 -1.1784 -1.1164 -1.0059 -0.9605
0.2672 0.2886 0.7086 0.7135 1.2498 1.2618 1.6812 1.6817
1.8658 1.8704 2.0241 2.0279 2.7632 2.7671 3.2072 3.2083
3.5397 3.5465 3.7306 3.7320 3.8358 3.8384 3.9727 3.9730
9.1523 9.1663 9.3060 9.3181 9.8735 9.8789 10.4676 10.4819
11.2721 11.2798
k =-0.3451 0.5595 0.2422 ( 4978 PWs) bands (ev):
-12.9207 -12.9198 -12.7576 -12.7575 -11.8383 -11.8376 -10.5399 -10.5320
-10.0404 -10.0280 -9.6327 -9.6109 -4.0179 -4.0105 -3.7834 -3.7810
-2.3427 -2.3402 -1.3472 -1.3370 -1.0937 -1.0306 -0.9656 -0.9185
0.3092 0.3278 0.7220 0.7261 1.2230 1.2371 1.6786 1.6792
1.8348 1.8448 2.0027 2.0068 2.7849 2.7889 3.2037 3.2048
3.5488 3.5550 3.7208 3.7217 3.8330 3.8353 3.9561 3.9567
9.1201 9.1325 9.3255 9.3395 9.8404 9.8459 10.4808 10.4955
11.2364 11.2452
k =-0.3451 0.5595 0.2595 ( 4984 PWs) bands (ev):
-12.9151 -12.9142 -12.7594 -12.7593 -11.8083 -11.8078 -10.5250 -10.5175
-10.0985 -10.0867 -9.6592 -9.6385 -3.9415 -3.9332 -3.7813 -3.7793
-2.4150 -2.4113 -1.3976 -1.3905 -1.0054 -0.9422 -0.9177 -0.8702
0.3484 0.3643 0.7362 0.7393 1.1951 1.2110 1.6723 1.6740
1.8006 1.8157 1.9842 1.9884 2.8068 2.8109 3.2008 3.2018
3.5571 3.5628 3.7110 3.7114 3.8291 3.8308 3.9390 3.9398
9.0898 9.1005 9.3504 9.3661 9.8111 9.8167 10.4942 10.5092
11.1934 11.2035
k =-0.3451 0.5595 0.2768 ( 4985 PWs) bands (ev):
-12.9094 -12.9084 -12.7614 -12.7613 -11.7763 -11.7759 -10.5090 -10.5019
-10.1582 -10.1470 -9.6869 -9.6672 -3.8629 -3.8534 -3.7768 -3.7752
-2.4868 -2.4822 -1.4531 -1.4484 -0.9158 -0.8632 -0.8518 -0.8170
0.3846 0.3978 0.7509 0.7531 1.1662 1.1835 1.6629 1.6659
1.7634 1.7832 1.9682 1.9723 2.8291 2.8332 3.1984 3.1993
3.5645 3.5697 3.7013 3.7014 3.8238 3.8250 3.9214 3.9224
9.0623 9.0710 9.3807 9.3980 9.7850 9.7907 10.5074 10.5228
11.1445 11.1559
k =-0.3451 0.5595 0.2941 ( 4977 PWs) bands (ev):
-12.9034 -12.9024 -12.7636 -12.7634 -11.7424 -11.7422 -10.4920 -10.4853
-10.2191 -10.2085 -9.7155 -9.6970 -3.7840 -3.7724 -3.7691 -3.7667
-2.5581 -2.5527 -1.5125 -1.5099 -0.8291 -0.7995 -0.7600 -0.7594
0.4174 0.4280 0.7659 0.7670 1.1361 1.1546 1.6506 1.6551
1.7239 1.7475 1.9543 1.9579 2.8517 2.8558 3.1966 3.1973
3.5710 3.5758 3.6917 3.6924 3.8172 3.8177 3.9035 3.9047
9.0385 9.0451 9.4162 9.4350 9.7616 9.7674 10.5200 10.5357
11.0913 11.1039
k =-0.3451 0.5595 0.3114 ( 4977 PWs) bands (ev):
-12.8973 -12.8963 -12.7660 -12.7658 -11.7066 -11.7065 -10.4739 -10.4677
-10.2810 -10.2710 -9.7449 -9.7275 -3.7608 -3.7603 -3.6984 -3.6883
-2.6285 -2.6224 -1.5751 -1.5743 -0.7552 -0.7179 -0.6983 -0.6671
0.4466 0.4547 0.7806 0.7806 1.1052 1.1243 1.6354 1.6423
1.6832 1.7091 1.9415 1.9443 2.8746 2.8787 3.1952 3.1958
3.5766 3.5811 3.6827 3.6839 3.8091 3.8092 3.8853 3.8868
9.0191 9.0236 9.4570 9.4769 9.7399 9.7460 10.5313 10.5473
11.0353 11.0488
k =-0.3451 0.5595 0.3287 ( 4981 PWs) bands (ev):
-12.8911 -12.8901 -12.7686 -12.7684 -11.6690 -11.6688 -10.4547 -10.4491
-10.3437 -10.3343 -9.7751 -9.7588 -3.7489 -3.7480 -3.6148 -3.6035
-2.6979 -2.6912 -1.6413 -1.6406 -0.6872 -0.6336 -0.6263 -0.5740
0.4719 0.4776 0.7932 0.7943 1.0739 1.0931 1.6145 1.6286
1.6455 1.6682 1.9288 1.9306 2.8978 2.9018 3.1944 3.1947
3.5814 3.5855 3.6746 3.6763 3.7992 3.8000 3.8671 3.8688
9.0049 9.0073 9.5025 9.5236 9.7191 9.7256 10.5407 10.5571
10.9780 10.9922
k =-0.3451 0.5595 0.3461 ( 4977 PWs) bands (ev):
-12.8847 -12.8838 -12.7714 -12.7711 -11.6296 -11.6292 -10.4348 -10.4298
-10.4065 -10.3978 -9.8058 -9.7907 -3.7345 -3.7331 -3.5297 -3.5177
-2.7660 -2.7589 -1.7107 -1.7084 -0.6177 -0.5657 -0.5328 -0.4811
0.4931 0.4962 0.8033 0.8054 1.0435 1.0620 1.5802 1.6138
1.6201 1.6264 1.9155 1.9161 2.9212 2.9252 3.1939 3.1939
3.5854 3.5893 3.6675 3.6696 3.7881 3.7896 3.8489 3.8508
8.9963 8.9966 9.5526 9.5746 9.6983 9.7053 10.5472 10.5641
10.9212 10.9356
k =-0.3451 0.5595 0.3634 ( 4981 PWs) bands (ev):
-12.8784 -12.8774 -12.7745 -12.7742 -11.5884 -11.5878 -10.4708 -10.4627
-10.4127 -10.4084 -9.8370 -9.8231 -3.7173 -3.7154 -3.4438 -3.4312
-2.8327 -2.8252 -1.7822 -1.7785 -0.5458 -0.4950 -0.4395 -0.3890
0.5098 0.5104 0.8083 0.8109 1.0165 1.0330 1.5371 1.5795
1.6037 1.6039 1.8999 1.9007 2.9447 2.9487 3.1933 3.1936
3.5887 3.5926 3.6615 3.6641 3.7759 3.7783 3.8308 3.8330
8.9920 8.9939 9.6066 9.6294 9.6766 9.6841 10.5501 10.5674
10.8667 10.8808
k =-0.3451 0.5595 0.3807 ( 4982 PWs) bands (ev):
-12.8720 -12.8710 -12.7778 -12.7774 -11.5454 -11.5446 -10.5343 -10.5267
-10.3906 -10.3868 -9.8686 -9.8558 -3.6975 -3.6950 -3.3572 -3.3440
-2.8979 -2.8901 -1.8555 -1.8505 -0.4713 -0.4217 -0.3472 -0.2984
0.5198 0.5216 0.8039 0.8062 0.9974 1.0102 1.4921 1.5347
1.5917 1.5926 1.8818 1.8839 2.9682 2.9722 3.1926 3.1933
3.5916 3.5955 3.6569 3.6599 3.7629 3.7660 3.8131 3.8155
8.9938 8.9978 9.6495 9.6606 9.6676 9.6881 10.5482 10.5662
10.8164 10.8297
k =-0.3451 0.5595 0.3980 ( 4981 PWs) bands (ev):
-12.8656 -12.8647 -12.7813 -12.7808 -11.5007 -11.4997 -10.5979 -10.5908
-10.3673 -10.3641 -9.9004 -9.8888 -3.6749 -3.6718 -3.2702 -3.2566
-2.9613 -2.9534 -1.9306 -1.9243 -0.3944 -0.3462 -0.2567 -0.2097
0.5238 0.5281 0.7851 0.7866 0.9903 0.9982 1.4472 1.4894
1.5827 1.5845 1.8614 1.8649 2.9913 2.9954 3.1916 3.1928
3.5944 3.5984 3.6537 3.6571 3.7492 3.7532 3.7957 3.7983
9.0021 9.0081 9.6243 9.6346 9.7265 9.7493 10.5406 10.5594
10.7721 10.7840
k =-0.3451 0.5595 0.4153 ( 4970 PWs) bands (ev):
-12.8592 -12.8583 -12.7850 -12.7845 -11.4543 -11.4530 -10.6613 -10.6547
-10.3430 -10.3404 -9.9323 -9.9218 -3.6495 -3.6458 -3.1830 -3.1690
-3.0229 -3.0149 -2.0072 -1.9998 -0.3153 -0.2686 -0.1685 -0.1237
0.5222 0.5290 0.7505 0.7518 0.9954 0.9982 1.4033 1.4444
1.5772 1.5797 1.8388 1.8435 3.0141 3.0182 3.1901 3.1917
3.5972 3.6015 3.6520 3.6557 3.7352 3.7398 3.7788 3.7816
9.0171 9.0249 9.5933 9.6046 9.7898 9.8129 10.5267 10.5463
10.7352 10.7454
k =-0.3451 0.5595 0.4326 ( 4970 PWs) bands (ev):
-12.8529 -12.8520 -12.7890 -12.7885 -11.4063 -11.4047 -10.7243 -10.7181
-10.3176 -10.3159 -9.9643 -9.9549 -3.6214 -3.6171 -3.0973 -3.0830
-3.0811 -3.0731 -2.0853 -2.0768 -0.2345 -0.1895 -0.0835 -0.0410
0.5144 0.5239 0.7025 0.7052 1.0079 1.0094 1.3610 1.4003
1.5756 1.5789 1.8142 1.8199 3.0361 3.0403 3.1877 3.1898
3.6004 3.6051 3.6519 3.6558 3.7209 3.7261 3.7626 3.7655
9.0384 9.0480 9.5578 9.5702 9.8552 9.8783 10.5060 10.5263
10.7069 10.7153
k =-0.3451 0.5595 0.4499 ( 4974 PWs) bands (ev):
-12.8467 -12.8458 -12.7932 -12.7926 -11.3566 -11.3547 -10.7867 -10.7810
-10.2914 -10.2903 -9.9961 -9.9878 -3.5905 -3.5857 -3.1408 -3.1327
-3.0081 -2.9939 -2.1647 -2.1551 -0.1522 -0.1092 -0.0021 0.0379
0.5001 0.5123 0.6448 0.6500 1.0239 1.0290 1.3207 1.3575
1.5782 1.5822 1.7878 1.7945 3.0572 3.0615 3.1842 3.1868
3.6044 3.6095 3.6532 3.6574 3.7066 3.7124 3.7471 3.7502
9.0658 9.0770 9.5177 9.5313 9.9218 9.9448 10.4784 10.4992
10.6876 10.6944
k =-0.3451 0.5595 0.4672 ( 4975 PWs) bands (ev):
-12.8406 -12.8397 -12.7976 -12.7970 -11.3054 -11.3032 -10.8484 -10.8433
-10.2642 -10.2640 -10.0278 -10.0205 -3.5569 -3.5516 -3.1964 -3.1884
-2.9211 -2.9069 -2.2452 -2.2348 -0.0689 -0.0280 0.0750 0.1124
0.4787 0.4940 0.5802 0.5884 1.0440 1.0523 1.2823 1.3162
1.5852 1.5899 1.7604 1.7676 3.0771 3.0816 3.1793 3.1824
3.6093 3.6148 3.6561 3.6605 3.6926 3.6987 3.7324 3.7357
9.0990 9.1116 9.4735 9.4881 9.9889 10.0116 10.4440 10.4649
10.6778 10.6833
k =-0.3451 0.5595 0.4845 ( 4973 PWs) bands (ev):
-12.8346 -12.8337 -12.8023 -12.8016 -11.2527 -11.2502 -10.9094 -10.9047
-10.2368 -10.2362 -10.0592 -10.0529 -3.5207 -3.5149 -3.2498 -3.2420
-2.8344 -2.8203 -2.3269 -2.3156 0.0148 0.0534 0.1471 0.1819
0.4494 0.4683 0.5113 0.5222 1.0670 1.0784 1.2459 1.2767
1.5964 1.6019 1.7324 1.7401 3.0958 3.1003 3.1727 3.1763
3.6153 3.6214 3.6602 3.6650 3.6794 3.6854 3.7187 3.7221
9.1373 9.1511 9.4261 9.4414 10.0557 10.0780 10.4030 10.4239
10.6773 10.6818
k =-0.3451 0.5595 0.5018 ( 4967 PWs) bands (ev):
-12.8287 -12.8279 -12.8071 -12.8065 -11.1986 -11.1958 -10.9695 -10.9651
-10.2088 -10.2073 -10.0901 -10.0849 -3.4818 -3.4755 -3.3010 -3.2934
-2.7482 -2.7342 -2.4095 -2.3975 0.0985 0.1346 0.2134 0.2459
0.4086 0.4319 0.4435 0.4557 1.0923 1.1068 1.2116 1.2390
1.6118 1.6180 1.7048 1.7125 3.1130 3.1175 3.1645 3.1684
3.6227 3.6292 3.6617 3.6698 3.6709 3.6738 3.7060 3.7096
9.1800 9.1948 9.3764 9.3922 10.1214 10.1434 10.3559 10.3768
10.6857 10.6894
k =-0.3451 0.5595 0.5191 ( 4965 PWs) bands (ev):
-12.8230 -12.8223 -12.8122 -12.8115 -11.1432 -11.1400 -11.0285 -11.0246
-10.1801 -10.1777 -10.1207 -10.1165 -3.4403 -3.4337 -3.3499 -3.3425
-2.6624 -2.6488 -2.4930 -2.4804 0.1809 0.2149 0.2708 0.3036
0.3491 0.3706 0.3878 0.4045 1.1194 1.1371 1.1791 1.2032
1.6309 1.6377 1.6781 1.6857 3.1286 3.1331 3.1544 3.1586
3.6314 3.6383 3.6521 3.6598 3.6758 3.6791 3.6945 3.6981
9.2263 9.2418 9.3257 9.3417 10.1852 10.2068 10.3033 10.3244
10.7025 10.7055
k =-0.3451 0.5595 0.5364 ( 4960 PWs) bands (ev):
-12.8175 -12.8175 -12.8168 -12.8168 -11.0864 -11.0864 -11.0829 -11.0829
-10.1507 -10.1507 -10.1474 -10.1474 -3.3963 -3.3963 -3.3893 -3.3893
-2.5774 -2.5774 -2.5642 -2.5642 0.2586 0.2586 0.2930 0.2930
0.3398 0.3398 0.3580 0.3580 1.1484 1.1484 1.1692 1.1692
1.6532 1.6532 1.6606 1.6606 3.1424 3.1424 3.1468 3.1468
3.6413 3.6413 3.6486 3.6486 3.6844 3.6844 3.6880 3.6880
9.2753 9.2753 9.2912 9.2912 10.2461 10.2461 10.2674 10.2674
10.7268 10.7268
k =-0.3451 0.5595 0.5364 ( 4960 PWs) bands (ev):
-12.8175 -12.8175 -12.8168 -12.8168 -11.0864 -11.0864 -11.0829 -11.0829
-10.1507 -10.1507 -10.1474 -10.1474 -3.3963 -3.3963 -3.3893 -3.3893
-2.5774 -2.5774 -2.5642 -2.5642 0.2586 0.2586 0.2930 0.2930
0.3398 0.3398 0.3580 0.3580 1.1484 1.1484 1.1692 1.1692
1.6532 1.6532 1.6606 1.6606 3.1424 3.1424 3.1468 3.1468
3.6413 3.6413 3.6486 3.6486 3.6844 3.6844 3.6880 3.6880
9.2753 9.2753 9.2912 9.2912 10.2461 10.2461 10.2674 10.2674
10.7268 10.7268
k =-0.3543 0.5447 0.5364 ( 4964 PWs) bands (ev):
-12.8124 -12.8124 -12.8117 -12.8117 -11.1146 -11.1146 -11.1112 -11.1112
-10.1216 -10.1216 -10.1184 -10.1184 -3.4645 -3.4645 -3.4582 -3.4582
-2.5172 -2.5172 -2.5039 -2.5039 0.2666 0.2666 0.3013 0.3013
0.3480 0.3480 0.3643 0.3643 1.1456 1.1456 1.1651 1.1651
1.6593 1.6593 1.6666 1.6666 3.1297 3.1297 3.1340 3.1340
3.6274 3.6274 3.6341 3.6341 3.7010 3.7010 3.7048 3.7048
9.2588 9.2588 9.2747 9.2747 10.2488 10.2488 10.2688 10.2688
10.7393 10.7393
k =-0.3634 0.5299 0.5364 ( 4970 PWs) bands (ev):
-12.8075 -12.8075 -12.8069 -12.8069 -11.1412 -11.1412 -11.1380 -11.1380
-10.0931 -10.0931 -10.0900 -10.0900 -3.5303 -3.5303 -3.5247 -3.5247
-2.4599 -2.4599 -2.4465 -2.4465 0.2752 0.2752 0.3102 0.3102
0.3559 0.3559 0.3701 0.3701 1.1409 1.1409 1.1590 1.1590
1.6671 1.6671 1.6743 1.6743 3.1161 3.1161 3.1203 3.1203
3.6141 3.6141 3.6203 3.6203 3.7190 3.7190 3.7229 3.7229
9.2403 9.2403 9.2558 9.2558 10.2516 10.2516 10.2703 10.2703
10.7559 10.7559
k =-0.3725 0.5152 0.5364 ( 4966 PWs) bands (ev):
-12.8030 -12.8030 -12.8024 -12.8024 -11.1663 -11.1663 -11.1633 -11.1633
-10.0653 -10.0653 -10.0623 -10.0623 -3.5936 -3.5936 -3.5887 -3.5887
-2.4055 -2.4055 -2.3922 -2.3922 0.2846 0.2846 0.3198 0.3198
0.3634 0.3634 0.3755 0.3755 1.1341 1.1341 1.1508 1.1508
1.6763 1.6763 1.6834 1.6834 3.1018 3.1018 3.1058 3.1058
3.6014 3.6014 3.6073 3.6073 3.7380 3.7380 3.7417 3.7417
9.2201 9.2201 9.2353 9.2353 10.2550 10.2550 10.2724 10.2724
10.7760 10.7760
k =-0.3816 0.5004 0.5364 ( 4970 PWs) bands (ev):
-12.7987 -12.7987 -12.7982 -12.7982 -11.1898 -11.1898 -11.1870 -11.1870
-10.0384 -10.0384 -10.0356 -10.0356 -3.6541 -3.6541 -3.6497 -3.6497
-2.3541 -2.3541 -2.3410 -2.3410 0.2947 0.2947 0.3300 0.3300
0.3707 0.3707 0.3806 0.3806 1.1255 1.1255 1.1406 1.1406
1.6867 1.6867 1.6936 1.6936 3.0869 3.0869 3.0907 3.0907
3.5896 3.5896 3.5951 3.5951 3.7576 3.7576 3.7611 3.7611
9.1989 9.1989 9.2136 9.2136 10.2594 10.2594 10.2754 10.2754
10.7987 10.7987
k =-0.3907 0.4856 0.5364 ( 4994 PWs) bands (ev):
-12.7948 -12.7948 -12.7943 -12.7943 -11.2116 -11.2116 -11.2090 -11.2090
-10.0126 -10.0126 -10.0099 -10.0099 -3.7114 -3.7114 -3.7076 -3.7076
-2.3060 -2.3060 -2.2932 -2.2932 0.3054 0.3054 0.3407 0.3407
0.3779 0.3779 0.3856 0.3856 1.1151 1.1151 1.1286 1.1286
1.6980 1.6980 1.7047 1.7047 3.0718 3.0718 3.0753 3.0753
3.5786 3.5786 3.5838 3.5838 3.7774 3.7774 3.7807 3.7807
9.1772 9.1772 9.1912 9.1912 10.2650 10.2650 10.2796 10.2796
10.8231 10.8231
k =-0.3998 0.4709 0.5364 ( 4986 PWs) bands (ev):
-12.7912 -12.7912 -12.7907 -12.7907 -11.2318 -11.2318 -11.2294 -11.2294
-9.9881 -9.9881 -9.9855 -9.9855 -3.7653 -3.7653 -3.7620 -3.7620
-2.2612 -2.2612 -2.2489 -2.2489 0.3166 0.3166 0.3516 0.3516
0.3852 0.3852 0.3907 0.3907 1.1030 1.1030 1.1150 1.1150
1.7100 1.7100 1.7164 1.7164 3.0566 3.0566 3.0599 3.0599
3.5685 3.5685 3.5733 3.5733 3.7972 3.7972 3.8003 3.8003
9.1555 9.1555 9.1687 9.1687 10.2722 10.2722 10.2854 10.2854
10.8488 10.8488
k =-0.4089 0.4561 0.5364 ( 4998 PWs) bands (ev):
-12.7879 -12.7879 -12.7874 -12.7874 -11.2503 -11.2503 -11.2481 -11.2481
-9.9649 -9.9649 -9.9625 -9.9625 -3.8155 -3.8155 -3.8127 -3.8127
-2.2199 -2.2199 -2.2082 -2.2082 0.3279 0.3279 0.3621 0.3621
0.3926 0.3926 0.3964 0.3964 1.0896 1.0896 1.1001 1.1001
1.7222 1.7222 1.7284 1.7284 3.0415 3.0415 3.0446 3.0446
3.5592 3.5592 3.5637 3.5637 3.8166 3.8166 3.8194 3.8194
9.1343 9.1343 9.1466 9.1466 10.2808 10.2808 10.2927 10.2927
10.8752 10.8752
k =-0.4180 0.4413 0.5364 ( 4994 PWs) bands (ev):
-12.7849 -12.7849 -12.7845 -12.7845 -11.2671 -11.2671 -11.2651 -11.2651
-9.9433 -9.9433 -9.9411 -9.9411 -3.8619 -3.8619 -3.8594 -3.8594
-2.1822 -2.1822 -2.1712 -2.1712 0.3390 0.3390 0.3714 0.3714
0.4006 0.4006 0.4034 0.4034 1.0752 1.0752 1.0841 1.0841
1.7346 1.7346 1.7404 1.7404 3.0269 3.0269 3.0297 3.0297
3.5508 3.5508 3.5549 3.5549 3.8352 3.8352 3.8378 3.8378
9.1140 9.1140 9.1253 9.1253 10.2909 10.2909 10.3014 10.3014
10.9014 10.9014
k =-0.4271 0.4266 0.5364 ( 4996 PWs) bands (ev):
-12.7822 -12.7822 -12.7818 -12.7818 -11.2822 -11.2822 -11.2804 -11.2804
-9.9235 -9.9235 -9.9214 -9.9214 -3.9040 -3.9040 -3.9019 -3.9019
-2.1481 -2.1481 -2.1380 -2.1380 0.3494 0.3494 0.3786 0.3786
0.4094 0.4094 0.4123 0.4123 1.0600 1.0600 1.0675 1.0675
1.7467 1.7467 1.7521 1.7521 3.0130 3.0130 3.0155 3.0155
3.5433 3.5433 3.5470 3.5470 3.8529 3.8529 3.8551 3.8551
9.0950 9.0950 9.1052 9.1052 10.3023 10.3023 10.3115 10.3115
10.9268 10.9268
k =-0.4362 0.4118 0.5364 ( 5000 PWs) bands (ev):
-12.7798 -12.7798 -12.7795 -12.7795 -11.2955 -11.2955 -11.2940 -11.2940
-9.9055 -9.9055 -9.9037 -9.9037 -3.9418 -3.9418 -3.9401 -3.9401
-2.1178 -2.1178 -2.1086 -2.1086 0.3587 0.3587 0.3836 0.3836
0.4191 0.4191 0.4230 0.4230 1.0446 1.0446 1.0507 1.0507
1.7583 1.7583 1.7632 1.7632 2.9999 2.9999 3.0022 3.0022
3.5367 3.5367 3.5399 3.5399 3.8692 3.8692 3.8712 3.8712
9.0776 9.0776 9.0867 9.0867 10.3145 10.3145 10.3225 10.3225
10.9509 10.9509
k =-0.4453 0.3970 0.5364 ( 4984 PWs) bands (ev):
-12.7778 -12.7778 -12.7775 -12.7775 -11.3071 -11.3071 -11.3058 -11.3058
-9.8896 -9.8896 -9.8881 -9.8881 -3.9750 -3.9750 -3.9735 -3.9735
-2.0913 -2.0913 -2.0832 -2.0832 0.3666 0.3666 0.3870 0.3870
0.4296 0.4296 0.4346 0.4346 1.0294 1.0294 1.0342 1.0342
1.7691 1.7691 1.7734 1.7734 2.9881 2.9881 2.9900 2.9900
3.5310 3.5310 3.5338 3.5338 3.8839 3.8839 3.8856 3.8856
9.0621 9.0621 9.0700 9.0700 10.3273 10.3273 10.3340 10.3340
10.9730 10.9730
k =-0.4545 0.3823 0.5364 ( 4988 PWs) bands (ev):
-12.7760 -12.7760 -12.7758 -12.7758 -11.3169 -11.3169 -11.3158 -11.3158
-9.8759 -9.8759 -9.8746 -9.8746 -4.0034 -4.0034 -4.0022 -4.0022
-2.0687 -2.0687 -2.0618 -2.0618 0.3730 0.3730 0.3892 0.3892
0.4405 0.4405 0.4461 0.4461 1.0150 1.0150 1.0185 1.0185
1.7789 1.7789 1.7825 1.7825 2.9776 2.9776 2.9792 2.9792
3.5261 3.5261 3.5285 3.5285 3.8968 3.8968 3.8982 3.8982
9.0486 9.0486 9.0553 9.0553 10.3399 10.3399 10.3454 10.3454
10.9926 10.9926
k =-0.4636 0.3675 0.5364 ( 4992 PWs) bands (ev):
-12.7746 -12.7746 -12.7744 -12.7744 -11.3249 -11.3249 -11.3240 -11.3240
-9.8645 -9.8645 -9.8634 -9.8634 -4.0268 -4.0268 -4.0259 -4.0259
-2.0500 -2.0500 -2.0443 -2.0443 0.3782 0.3782 0.3905 0.3905
0.4511 0.4511 0.4566 0.4566 1.0019 1.0019 1.0044 1.0044
1.7873 1.7873 1.7903 1.7903 2.9688 2.9688 2.9701 2.9701
3.5222 3.5222 3.5241 3.5241 3.9077 3.9077 3.9088 3.9088
9.0375 9.0375 9.0429 9.0429 10.3517 10.3517 10.3561 10.3561
11.0093 11.0093
k =-0.4727 0.3528 0.5364 ( 4998 PWs) bands (ev):
-12.7735 -12.7735 -12.7734 -12.7734 -11.3311 -11.3311 -11.3304 -11.3304
-9.8555 -9.8555 -9.8546 -9.8546 -4.0452 -4.0452 -4.0445 -4.0445
-2.0352 -2.0352 -2.0309 -2.0309 0.3823 0.3823 0.3912 0.3912
0.4607 0.4607 0.4655 0.4655 0.9908 0.9908 0.9925 0.9925
1.7942 1.7942 1.7964 1.7964 2.9617 2.9617 2.9627 2.9627
3.5192 3.5192 3.5207 3.5207 3.9164 3.9164 3.9172 3.9172
9.0289 9.0289 9.0329 9.0329 10.3620 10.3620 10.3652 10.3652
11.0228 11.0228
k =-0.4818 0.3380 0.5364 ( 5006 PWs) bands (ev):
-12.7727 -12.7727 -12.7726 -12.7726 -11.3355 -11.3355 -11.3351 -11.3351
-9.8489 -9.8489 -9.8484 -9.8484 -4.0583 -4.0583 -4.0579 -4.0579
-2.0244 -2.0244 -2.0215 -2.0215 0.3854 0.3854 0.3912 0.3912
0.4686 0.4686 0.4720 0.4720 0.9824 0.9824 0.9834 0.9834
1.7993 1.7993 1.8009 1.8009 2.9566 2.9566 2.9573 2.9573
3.5171 3.5171 3.5181 3.5181 3.9227 3.9227 3.9233 3.9233
9.0228 9.0228 9.0255 9.0255 10.3701 10.3701 10.3722 10.3722
11.0326 11.0328
k =-0.4909 0.3232 0.5364 ( 5004 PWs) bands (ev):
-12.7722 -12.7722 -12.7722 -12.7722 -11.3381 -11.3381 -11.3379 -11.3379
-9.8449 -9.8449 -9.8446 -9.8446 -4.0662 -4.0662 -4.0660 -4.0660
-2.0177 -2.0177 -2.0162 -2.0162 0.3878 0.3878 0.3907 0.3907
0.4740 0.4740 0.4758 0.4758 0.9771 0.9771 0.9776 0.9776
1.8026 1.8026 1.8034 1.8034 2.9536 2.9536 2.9539 2.9539
3.5160 3.5160 3.5165 3.5165 3.9266 3.9266 3.9269 3.9269
9.0194 9.0194 9.0208 9.0208 10.3754 10.3754 10.3765 10.3765
11.0387 11.0388
k =-0.5000 0.3085 0.5364 ( 5008 PWs) bands (ev):
-12.7720 -12.7720 -12.7720 -12.7720 -11.3389 -11.3389 -11.3389 -11.3389
-9.8435 -9.8435 -9.8435 -9.8435 -4.0688 -4.0688 -4.0688 -4.0688
-2.0149 -2.0149 -2.0149 -2.0149 0.3896 0.3896 0.3896 0.3896
0.4765 0.4765 0.4765 0.4765 0.9755 0.9755 0.9755 0.9755
1.8040 1.8040 1.8040 1.8040 2.9527 2.9527 2.9527 2.9527
3.5158 3.5158 3.5158 3.5158 3.9280 3.9280 3.9280 3.9280
9.0187 9.0187 9.0187 9.0187 10.3776 10.3776 10.3776 10.3776
11.0408 11.0408
k =-0.5000 0.3085 0.5364 ( 5008 PWs) bands (ev):
-12.7720 -12.7720 -12.7720 -12.7720 -11.3389 -11.3389 -11.3389 -11.3389
-9.8435 -9.8435 -9.8435 -9.8435 -4.0688 -4.0688 -4.0688 -4.0688
-2.0149 -2.0149 -2.0149 -2.0149 0.3896 0.3896 0.3896 0.3896
0.4765 0.4765 0.4765 0.4765 0.9755 0.9755 0.9755 0.9755
1.8040 1.8040 1.8040 1.8040 2.9527 2.9527 2.9527 2.9527
3.5158 3.5158 3.5158 3.5158 3.9280 3.9280 3.9280 3.9280
9.0187 9.0187 9.0187 9.0187 10.3776 10.3776 10.3776 10.3776
11.0408 11.0408
k =-0.5000 0.3085 0.5191 ( 5004 PWs) bands (ev):
-12.7748 -12.7748 -12.7694 -12.7694 -11.3983 -11.3983 -11.2782 -11.2782
-9.8488 -9.8488 -9.8382 -9.8382 -4.0708 -4.0708 -4.0633 -4.0633
-2.1252 -2.1252 -1.9069 -1.9069 0.3761 0.3761 0.3873 0.3873
0.4354 0.4354 0.5285 0.5285 0.9261 0.9261 1.0266 1.0266
1.7959 1.7959 1.8102 1.8102 2.9370 2.9370 2.9669 2.9669
3.5095 3.5095 3.5238 3.5238 3.9196 3.9196 3.9374 3.9374
9.0151 9.0151 9.0300 9.0300 10.3630 10.3630 10.3837 10.3837
10.9987 10.9987
k =-0.5000 0.3085 0.5018 ( 5000 PWs) bands (ev):
-12.7777 -12.7777 -12.7668 -12.7668 -11.4562 -11.4562 -11.2163 -11.2163
-9.8543 -9.8543 -9.8331 -9.8331 -4.0694 -4.0694 -4.0543 -4.0543
-2.2376 -2.2376 -1.8016 -1.8016 0.3461 0.3461 0.3634 0.3634
0.4202 0.4202 0.5826 0.5826 0.8794 0.8794 1.0788 1.0788
1.7855 1.7855 1.8150 1.8150 2.9201 2.9201 2.9797 2.9797
3.5051 3.5051 3.5335 3.5335 3.9125 3.9125 3.9478 3.9478
9.0191 9.0191 9.0489 9.0489 10.3394 10.3394 10.3823 10.3823
10.9586 10.9586
k =-0.5000 0.3085 0.4845 ( 5006 PWs) bands (ev):
-12.7807 -12.7807 -12.7644 -12.7644 -11.5127 -11.5127 -11.1532 -11.1532
-9.8599 -9.8599 -9.8282 -9.8282 -4.0644 -4.0644 -4.0418 -4.0418
-2.3518 -2.3518 -1.6991 -1.6991 0.3004 0.3004 0.3368 0.3368
0.4127 0.4127 0.6343 0.6343 0.8383 0.8383 1.1318 1.1318
1.7726 1.7726 1.8190 1.8190 2.9021 2.9021 2.9913 2.9913
3.5025 3.5025 3.5443 3.5443 3.9065 3.9065 3.9590 3.9590
9.0305 9.0305 9.0754 9.0754 10.3064 10.3064 10.3745 10.3745
10.9209 10.9209
k =-0.5000 0.3085 0.4672 ( 5010 PWs) bands (ev):
-12.7838 -12.7838 -12.7622 -12.7622 -11.5677 -11.5677 -11.0891 -11.0891
-9.8656 -9.8656 -9.8235 -9.8235 -4.0560 -4.0560 -4.0259 -4.0259
-2.4673 -2.4673 -1.5998 -1.5998 0.2522 0.2522 0.3065 0.3065
0.4011 0.4011 0.6728 0.6728 0.8134 0.8134 1.1854 1.1854
1.7570 1.7570 1.8228 1.8228 2.8833 2.8833 3.0017 3.0017
3.5015 3.5015 3.5560 3.5560 3.9018 3.9018 3.9711 3.9711
9.0489 9.0489 9.1092 9.1092 10.2642 10.2642 10.3614 10.3614
10.8859 10.8859
k =-0.5000 0.3085 0.4499 ( 5006 PWs) bands (ev):
-12.7870 -12.7870 -12.7600 -12.7600 -11.6210 -11.6210 -11.0240 -11.0240
-9.8714 -9.8714 -9.8189 -9.8189 -4.0441 -4.0441 -4.0067 -4.0067
-2.5838 -2.5838 -1.5039 -1.5039 0.2047 0.2047 0.2718 0.2718
0.3833 0.3833 0.6754 0.6754 0.8270 0.8270 1.2393 1.2393
1.7390 1.7390 1.8271 1.8271 2.8640 2.8640 3.0113 3.0113
3.5020 3.5020 3.5678 3.5678 3.8985 3.8985 3.9838 3.9838
9.0740 9.0740 9.1501 9.1501 10.2136 10.2136 10.3441 10.3441
10.8538 10.8538
k =-0.5000 0.3085 0.4326 ( 5002 PWs) bands (ev):
-12.7902 -12.7902 -12.7581 -12.7581 -11.6727 -11.6727 -10.9581 -10.9581
-9.8772 -9.8772 -9.8145 -9.8145 -4.0289 -4.0289 -3.9842 -3.9842
-2.7011 -2.7011 -1.4116 -1.4116 0.1585 0.1585 0.2327 0.2327
0.3586 0.3586 0.6471 0.6471 0.8740 0.8740 1.2935 1.2935
1.7186 1.7186 1.8326 1.8326 2.8445 2.8445 3.0202 3.0202
3.5034 3.5034 3.5795 3.5795 3.8966 3.8966 3.9972 3.9972
9.1053 9.1053 9.1977 9.1977 10.1555 10.1555 10.3234 10.3234
10.8252 10.8252
k =-0.5000 0.3085 0.4153 ( 4998 PWs) bands (ev):
-12.7935 -12.7935 -12.7562 -12.7562 -11.7226 -11.7226 -10.8915 -10.8915
-9.8830 -9.8830 -9.8103 -9.8103 -4.0103 -4.0103 -3.9584 -3.9584
-2.8187 -2.8187 -1.3230 -1.3230 0.1139 0.1139 0.1895 0.1895
0.3268 0.3268 0.6089 0.6089 0.9332 0.9332 1.3478 1.3478
1.6962 1.6962 1.8399 1.8399 2.8252 2.8252 3.0286 3.0286
3.5057 3.5057 3.5903 3.5903 3.8961 3.8961 4.0111 4.0111
9.1421 9.1421 9.2516 9.2516 10.0909 10.0909 10.3001 10.3001
10.8003 10.8003
k =-0.5000 0.3085 0.3980 ( 4994 PWs) bands (ev):
-12.7969 -12.7969 -12.7545 -12.7545 -11.7709 -11.7709 -10.8244 -10.8244
-9.8888 -9.8888 -9.8064 -9.8064 -3.9885 -3.9885 -3.9295 -3.9295
-2.9364 -2.9364 -1.2383 -1.2383 0.0709 0.0709 0.1422 0.1422
0.2879 0.2879 0.5684 0.5684 0.9969 0.9969 1.4018 1.4018
1.6722 1.6722 1.8492 1.8492 2.8062 2.8062 3.0366 3.0366
3.5083 3.5083 3.6000 3.6000 3.8972 3.8972 4.0254 4.0254
9.1839 9.1839 9.3111 9.3111 10.0211 10.0211 10.2750 10.2750
10.7796 10.7796
k =-0.5000 0.3085 0.3807 ( 4996 PWs) bands (ev):
-12.8002 -12.8002 -12.7530 -12.7530 -11.8173 -11.8173 -10.7569 -10.7569
-9.8946 -9.8946 -9.8026 -9.8026 -3.9634 -3.9634 -3.8975 -3.8975
-3.0536 -3.0536 -1.1575 -1.1575 0.0294 0.0294 0.0912 0.0912
0.2423 0.2423 0.5277 0.5277 1.0627 1.0627 1.4554 1.4554
1.6470 1.6470 1.8611 1.8611 2.7879 2.7879 3.0445 3.0445
3.5111 3.5111 3.6080 3.6080 3.8997 3.8997 4.0399 4.0399
9.2297 9.2297 9.3758 9.3758 9.9472 9.9472 10.2487 10.2487
10.7635 10.7635
k =-0.5000 0.3085 0.3634 ( 4992 PWs) bands (ev):
-12.8036 -12.8036 -12.7515 -12.7515 -11.8619 -11.8619 -10.6892 -10.6892
-9.9003 -9.9003 -9.7990 -9.7990 -3.9354 -3.9354 -3.8626 -3.8626
-3.1702 -3.1702 -1.0807 -1.0807 -0.0107 -0.0107 0.0368 0.0368
0.1903 0.1903 0.4876 0.4876 1.1294 1.1294 1.5080 1.5080
1.6216 1.6216 1.8755 1.8755 2.7704 2.7704 3.0524 3.0524
3.5138 3.5138 3.6141 3.6141 3.9037 3.9037 4.0547 4.0547
9.2788 9.2788 9.4449 9.4449 9.8703 9.8703 10.2215 10.2215
10.7525 10.7525
k =-0.5000 0.3085 0.3461 ( 4996 PWs) bands (ev):
-12.8070 -12.8070 -12.7502 -12.7502 -11.9046 -11.9046 -10.6215 -10.6215
-9.9059 -9.9059 -9.7957 -9.7957 -3.9043 -3.9043 -3.8249 -3.8249
-3.2856 -3.2856 -1.0080 -1.0080 -0.0506 -0.0506 -0.0198 -0.0198
0.1324 0.1324 0.4487 0.4487 1.1964 1.1964 1.5563 1.5563
1.5994 1.5994 1.8926 1.8926 2.7537 2.7537 3.0602 3.0602
3.5163 3.5163 3.6179 3.6179 3.9093 3.9093 4.0697 4.0697
9.3300 9.3300 9.5177 9.5177 9.7913 9.7913 10.1939 10.1939
10.7472 10.7472
k =-0.5000 0.3085 0.3287 ( 5000 PWs) bands (ev):
-12.8103 -12.8103 -12.7491 -12.7491 -11.9454 -11.9454 -10.5539 -10.5539
-9.9115 -9.9115 -9.7925 -9.7925 -3.8705 -3.8705 -3.7845 -3.7845
-3.3996 -3.3996 -0.9394 -0.9394 -0.0962 -0.0962 -0.0725 -0.0725
0.0694 0.0694 0.4111 0.4111 1.2631 1.2631 1.5612 1.5612
1.6199 1.6199 1.9123 1.9123 2.7381 2.7381 3.0681 3.0681
3.5183 3.5183 3.6194 3.6194 3.9163 3.9163 4.0846 4.0846
9.3825 9.3825 9.5935 9.5935 9.7110 9.7110 10.1663 10.1663
10.7481 10.7481
k =-0.5000 0.3085 0.3114 ( 4996 PWs) bands (ev):
-12.8136 -12.8136 -12.7480 -12.7480 -11.9843 -11.9843 -10.4868 -10.4868
-9.9169 -9.9169 -9.7896 -9.7896 -3.8341 -3.8341 -3.7417 -3.7417
-3.5117 -3.5117 -0.8748 -0.8748 -0.1556 -0.1556 -0.1130 -0.1130
0.0024 0.0024 0.3749 0.3749 1.3291 1.3291 1.5376 1.5376
1.6683 1.6683 1.9344 1.9344 2.7235 2.7235 3.0760 3.0760
3.5199 3.5199 3.6184 3.6184 3.9248 3.9248 4.0994 4.0994
9.4350 9.4350 9.6304 9.6304 9.6715 9.6715 10.1389 10.1389
10.7557 10.7557
k =-0.5000 0.3085 0.2941 ( 4978 PWs) bands (ev):
-12.8169 -12.8169 -12.7471 -12.7471 -12.0212 -12.0212 -10.4203 -10.4203
-9.9222 -9.9222 -9.7869 -9.7869 -3.7952 -3.7952 -3.6966 -3.6966
-3.6214 -3.6214 -0.8143 -0.8143 -0.2220 -0.2220 -0.1488 -0.1488
-0.0672 -0.0672 0.3402 0.3402 1.3935 1.3935 1.5132 1.5132
1.7176 1.7176 1.9587 1.9587 2.7099 2.7099 3.0840 3.0840
3.5210 3.5210 3.6149 3.6149 3.9346 3.9346 4.1141 4.1141
9.4864 9.4864 9.5502 9.5502 9.7509 9.7509 10.1120 10.1120
10.7706 10.7706
k =-0.5000 0.3085 0.2768 ( 4984 PWs) bands (ev):
-12.8201 -12.8201 -12.7463 -12.7463 -12.0561 -12.0561 -10.3547 -10.3547
-9.9273 -9.9273 -9.7843 -9.7843 -3.7547 -3.7547 -3.7280 -3.7280
-3.6493 -3.6493 -0.7577 -0.7577 -0.2917 -0.2917 -0.1868 -0.1868
-0.1350 -0.1350 0.3072 0.3072 1.4529 1.4529 1.4929 1.4929
1.7658 1.7658 1.9849 1.9849 2.6974 2.6974 3.0920 3.0920
3.5215 3.5215 3.6088 3.6088 3.9457 3.9457 4.1285 4.1285
9.4700 9.4700 9.5366 9.5366 9.8308 9.8308 10.0859 10.0859
10.7931 10.7931
k =-0.5000 0.3085 0.2595 ( 4972 PWs) bands (ev):
-12.8231 -12.8231 -12.7456 -12.7456 -12.0890 -12.0890 -10.2903 -10.2903
-9.9323 -9.9323 -9.7820 -9.7820 -3.8329 -3.8329 -3.7108 -3.7108
-3.6003 -3.6003 -0.7052 -0.7052 -0.3635 -0.3635 -0.2408 -0.2408
-0.1869 -0.1869 0.2759 0.2759 1.4599 1.4599 1.5240 1.5240
1.8127 1.8127 2.0127 2.0127 2.6859 2.6859 3.1001 3.1001
3.5214 3.5214 3.6002 3.6002 3.9579 3.9579 4.1425 4.1425
9.3922 9.3922 9.5831 9.5831 9.9102 9.9102 10.0609 10.0609
10.8235 10.8235
k =-0.5000 0.3085 0.2422 ( 4984 PWs) bands (ev):
-12.8261 -12.8261 -12.7450 -12.7450 -12.1199 -12.1199 -10.2275 -10.2275
-9.9370 -9.9370 -9.7798 -9.7798 -3.9333 -3.9333 -3.6661 -3.6661
-3.5497 -3.5497 -0.6567 -0.6567 -0.4367 -0.4367 -0.3126 -0.3126
-0.2207 -0.2207 0.2462 0.2462 1.4396 1.4396 1.5816 1.5816
1.8578 1.8578 2.0419 2.0419 2.6753 2.6753 3.1082 3.1082
3.5209 3.5209 3.5892 3.5892 3.9711 3.9711 4.1561 4.1561
9.3163 9.3163 9.6262 9.6262 9.9872 9.9872 10.0384 10.0384
10.8619 10.8619
k =-0.5000 0.3085 0.2249 ( 4986 PWs) bands (ev):
-12.8289 -12.8289 -12.7445 -12.7445 -12.1488 -12.1488 -10.1665 -10.1665
-9.9415 -9.9415 -9.7779 -9.7779 -4.0299 -4.0299 -3.6201 -3.6201
-3.4980 -3.4980 -0.6130 -0.6130 -0.5099 -0.5099 -0.3897 -0.3897
-0.2478 -0.2478 0.2184 0.2184 1.4193 1.4193 1.6379 1.6379
1.9009 1.9009 2.0719 2.0719 2.6658 2.6658 3.1164 3.1164
3.5199 3.5199 3.5760 3.5760 3.9851 3.9851 4.1691 4.1691
9.2429 9.2429 9.6652 9.6652 10.0103 10.0103 10.0691 10.0691
10.9079 10.9079
k =-0.5000 0.3085 0.2076 ( 4978 PWs) bands (ev):
-12.8317 -12.8317 -12.7440 -12.7440 -12.1755 -12.1755 -10.1077 -10.1077
-9.9457 -9.9457 -9.7761 -9.7761 -4.1220 -4.1220 -3.5731 -3.5731
-3.4454 -3.4454 -0.5971 -0.5971 -0.5597 -0.5597 -0.4675 -0.4675
-0.2717 -0.2717 0.1923 0.1923 1.4002 1.4002 1.6915 1.6915
1.9419 1.9419 2.1025 2.1025 2.6571 2.6571 3.1246 3.1246
3.5186 3.5186 3.5607 3.5607 3.9996 3.9996 4.1815 4.1815
9.1726 9.1726 9.6998 9.6998 9.9899 9.9899 10.1420 10.1420
10.9610 10.9610
k =-0.5000 0.3085 0.1903 ( 4976 PWs) bands (ev):
-12.8342 -12.8342 -12.7436 -12.7436 -12.2002 -12.2002 -10.0515 -10.0515
-9.9496 -9.9496 -9.7744 -9.7744 -4.2092 -4.2092 -3.5256 -3.5256
-3.3924 -3.3924 -0.6642 -0.6642 -0.5515 -0.5515 -0.5232 -0.5232
-0.2933 -0.2933 0.1680 0.1680 1.3826 1.3826 1.7420 1.7420
1.9806 1.9806 2.1333 2.1333 2.6493 2.6493 3.1329 3.1329
3.5170 3.5170 3.5437 3.5437 4.0146 4.0146 4.1933 4.1933
9.1058 9.1058 9.7302 9.7302 9.9698 9.9698 10.2128 10.2128
11.0204 11.0204
k =-0.5000 0.3085 0.1730 ( 4984 PWs) bands (ev):
-12.8366 -12.8366 -12.7433 -12.7433 -12.2228 -12.2228 -9.9984 -9.9984
-9.9532 -9.9532 -9.7729 -9.7729 -4.2910 -4.2910 -3.4782 -3.4782
-3.3396 -3.3396 -0.7368 -0.7368 -0.6240 -0.6240 -0.4934 -0.4934
-0.3128 -0.3128 0.1457 0.1457 1.3666 1.3666 1.7889 1.7889
2.0166 2.0166 2.1639 2.1639 2.6423 2.6423 3.1413 3.1413
3.5150 3.5150 3.5252 3.5252 4.0296 4.0296 4.2042 4.2042
9.0430 9.0430 9.7564 9.7564 9.9512 9.9512 10.2798 10.2798
11.0850 11.0850
k =-0.5000 0.3085 0.1557 ( 4976 PWs) bands (ev):
-12.8388 -12.8388 -12.7431 -12.7431 -12.2433 -12.2433 -9.9579 -9.9579
-9.9472 -9.9472 -9.7716 -9.7716 -4.3670 -4.3670 -3.4314 -3.4314
-3.2876 -3.2876 -0.8080 -0.8080 -0.6975 -0.6975 -0.4628 -0.4628
-0.3304 -0.3304 0.1252 0.1252 1.3521 1.3521 1.8321 1.8321
2.0500 2.0500 2.1937 2.1937 2.6361 2.6361 3.1497 3.1497
3.5051 3.5051 3.5134 3.5134 4.0444 4.0444 4.2144 4.2144
8.9847 8.9847 9.7786 9.7786 9.9341 9.9341 10.3424 10.3424
11.1535 11.1535
k =-0.5000 0.3085 0.1384 ( 4980 PWs) bands (ev):
-12.8408 -12.8408 -12.7429 -12.7429 -12.2616 -12.2616 -9.9601 -9.9601
-9.9021 -9.9021 -9.7703 -9.7703 -4.4366 -4.4366 -3.3860 -3.3860
-3.2370 -3.2370 -0.8766 -0.8766 -0.7677 -0.7677 -0.4352 -0.4352
-0.3460 -0.3460 0.1066 0.1066 1.3393 1.3393 1.8713 1.8713
2.0803 2.0803 2.2224 2.2224 2.6307 2.6307 3.1582 3.1582
3.4847 3.4847 3.5113 3.5113 4.0588 4.0588 4.2236 4.2236
8.9313 8.9313 9.7972 9.7972 9.9189 9.9189 10.3999 10.3999
11.2245 11.2245
k =-0.5000 0.3085 0.1211 ( 4980 PWs) bands (ev):
-12.8426 -12.8426 -12.7427 -12.7427 -12.2778 -12.2778 -9.9627 -9.9627
-9.8604 -9.8604 -9.7691 -9.7691 -4.4994 -4.4994 -3.3427 -3.3427
-3.1886 -3.1886 -0.9413 -0.9413 -0.8334 -0.8334 -0.4108 -0.4108
-0.3597 -0.3597 0.0900 0.0900 1.3281 1.3281 1.9062 1.9062
2.1075 2.1075 2.2495 2.2495 2.6260 2.6260 3.1669 3.1669
3.4639 3.4639 3.5093 3.5093 4.0724 4.0724 4.2319 4.2319
8.8830 8.8830 9.8125 9.8125 9.9056 9.9056 10.4518 10.4518
11.2964 11.2964
k =-0.5000 0.3085 0.1038 ( 4980 PWs) bands (ev):
-12.8442 -12.8442 -12.7426 -12.7426 -12.2919 -12.2919 -9.9651 -9.9651
-9.8235 -9.8235 -9.7679 -9.7679 -4.5549 -4.5549 -3.3023 -3.3023
-3.1435 -3.1435 -1.0010 -1.0010 -0.8935 -0.8935 -0.3899 -0.3899
-0.3713 -0.3713 0.0754 0.0754 1.3184 1.3184 1.9367 1.9367
2.1315 2.1315 2.2744 2.2744 2.6220 2.6220 3.1756 3.1756
3.4431 3.4431 3.5074 3.5074 4.0849 4.0849 4.2392 4.2392
8.8404 8.8404 9.8246 9.8246 9.8945 9.8945 10.4977 10.4977
11.3672 11.3672
k =-0.5000 0.3085 0.0865 ( 4980 PWs) bands (ev):
-12.8455 -12.8455 -12.7424 -12.7424 -12.3038 -12.3038 -9.9671 -9.9671
-9.7925 -9.7925 -9.7659 -9.7659 -4.6028 -4.6028 -3.2659 -3.2659
-3.1025 -3.1025 -1.0546 -1.0546 -0.9470 -0.9470 -0.3827 -0.3827
-0.3705 -0.3705 0.0630 0.0630 1.3103 1.3103 1.9628 1.9628
2.1520 2.1520 2.2967 2.2967 2.6187 2.6187 3.1843 3.1843
3.4231 3.4231 3.5057 3.5057 4.0961 4.0961 4.2455 4.2455
8.8037 8.8037 9.8335 9.8335 9.8858 9.8858 10.5373 10.5373
11.4349 11.4349
k =-0.5000 0.3085 0.0692 ( 4972 PWs) bands (ev):
-12.8466 -12.8466 -12.7424 -12.7424 -12.3135 -12.3135 -9.9688 -9.9688
-9.7733 -9.7733 -9.7575 -9.7575 -4.6425 -4.6425 -3.2342 -3.2342
-3.0669 -3.0669 -1.1008 -1.1008 -0.9927 -0.9927 -0.3904 -0.3904
-0.3562 -0.3562 0.0526 0.0526 1.3036 1.3036 1.9843 1.9843
2.1690 2.1690 2.3158 2.3158 2.6160 2.6160 3.1929 3.1929
3.4044 3.4044 3.5042 3.5042 4.1056 4.1056 4.2507 4.2507
8.7733 8.7733 9.8392 9.8392 9.8801 9.8801 10.5701 10.5701
11.4969 11.4969
k =-0.5000 0.3085 0.0519 ( 4976 PWs) bands (ev):
-12.8475 -12.8475 -12.7423 -12.7423 -12.3211 -12.3211 -9.9701 -9.9701
-9.7693 -9.7693 -9.7397 -9.7397 -4.6738 -4.6738 -3.2084 -3.2084
-3.0376 -3.0376 -1.1383 -1.1383 -1.0295 -1.0295 -0.3968 -0.3968
-0.3446 -0.3446 0.0444 0.0444 1.2985 1.2985 2.0011 2.0011
2.1823 2.1823 2.3312 2.3312 2.6139 2.6139 3.2008 3.2008
3.3880 3.3880 3.5030 3.5030 4.1133 4.1133 4.2547 4.2547
8.7494 8.7494 9.8418 9.8418 9.8772 9.8772 10.5959 10.5959
11.5500 11.5500
k =-0.5000 0.3085 0.0346 ( 4968 PWs) bands (ev):
-12.8481 -12.8481 -12.7423 -12.7423 -12.3265 -12.3265 -9.9711 -9.9711
-9.7682 -9.7682 -9.7250 -9.7250 -4.6963 -4.6963 -3.1892 -3.1892
-3.0159 -3.0159 -1.1661 -1.1661 -1.0567 -1.0567 -0.4013 -0.4013
-0.3364 -0.3364 0.0386 0.0386 1.2949 1.2949 2.0131 2.0131
2.1919 2.1919 2.3426 2.3426 2.6124 2.6124 3.2075 3.2075
3.3750 3.3750 3.5021 3.5021 4.1189 4.1189 4.2576 4.2576
8.7321 8.7321 9.8422 9.8422 9.8764 9.8764 10.6145 10.6145
11.5750 11.5750
k =-0.5000 0.3085 0.0173 ( 4976 PWs) bands (ev):
-12.8485 -12.8485 -12.7423 -12.7423 -12.3298 -12.3298 -9.9717 -9.9717
-9.7678 -9.7678 -9.7158 -9.7158 -4.7099 -4.7099 -3.1774 -3.1774
-3.0024 -3.0024 -1.1832 -1.1832 -1.0733 -1.0733 -0.4040 -0.4040
-0.3314 -0.3314 0.0350 0.0350 1.2927 1.2927 2.0203 2.0203
2.1977 2.1977 2.3495 2.3495 2.6115 2.6115 3.2121 3.2121
3.3664 3.3664 3.5016 3.5016 4.1224 4.1224 4.2594 4.2594
8.7217 8.7217 9.8419 9.8419 9.8765 9.8765 10.6258 10.6258
11.5693 11.5693
k =-0.5000 0.3085 0.0000 ( 4976 PWs) bands (ev):
-12.8486 -12.8486 -12.7422 -12.7422 -12.3309 -12.3309 -9.9718 -9.9718
-9.7677 -9.7677 -9.7128 -9.7128 -4.7145 -4.7145 -3.1734 -3.1734
-2.9978 -2.9978 -1.1890 -1.1890 -1.0789 -1.0789 -0.4049 -0.4049
-0.3297 -0.3297 0.0338 0.0338 1.2920 1.2920 2.0227 2.0227
2.1996 2.1996 2.3519 2.3519 2.6112 2.6112 3.2138 3.2138
3.3633 3.3633 3.5014 3.5014 4.1235 4.1235 4.2600 4.2600
8.7182 8.7182 9.8417 9.8417 9.8767 9.8767 10.6295 10.6295
11.5671 11.5671
k = 0.0000 0.0000 0.5364 ( 4960 PWs) bands (ev):
-13.0389 -13.0389 -13.0389 -13.0389 -10.8321 -10.8321 -10.8321 -10.8321
-9.8262 -9.8262 -9.8262 -9.8262 -4.8378 -4.8378 -4.8378 -4.8378
-1.4821 -1.4821 -1.4821 -1.4821 -0.2031 -0.2031 -0.2031 -0.2031
0.1465 0.1465 0.1465 0.1465 1.2206 1.2206 1.2206 1.2206
2.2452 2.2452 2.2452 2.2452 3.2402 3.2402 3.2402 3.2402
3.8251 3.8251 3.8251 3.8251 4.0425 4.0425 4.0425 4.0425
8.8402 8.8402 8.8402 8.8402 9.1671 9.1671 9.1671 9.1671
11.5022 11.5022
k =-0.0147 0.0091 0.5364 ( 4964 PWs) bands (ev):
-13.0385 -13.0385 -13.0384 -13.0384 -10.8332 -10.8332 -10.8330 -10.8330
-9.8264 -9.8264 -9.8260 -9.8260 -4.8368 -4.8368 -4.8361 -4.8361
-1.4835 -1.4835 -1.4825 -1.4825 -0.2040 -0.2040 -0.2009 -0.2009
0.1471 0.1471 0.1487 0.1487 1.2192 1.2192 1.2203 1.2203
2.2454 2.2454 2.2463 2.2463 3.2391 3.2391 3.2398 3.2398
3.8166 3.8166 3.8193 3.8193 4.0464 4.0464 4.0482 4.0482
8.8407 8.8407 8.8439 8.8439 9.1664 9.1664 9.1690 9.1690
11.5021 11.5021
k =-0.0294 0.0181 0.5364 ( 4976 PWs) bands (ev):
-13.0372 -13.0372 -13.0370 -13.0370 -10.8365 -10.8365 -10.8361 -10.8361
-9.8265 -9.8265 -9.8257 -9.8257 -4.8330 -4.8330 -4.8316 -4.8316
-1.4869 -1.4869 -1.4850 -1.4850 -0.2036 -0.2036 -0.1976 -0.1976
0.1504 0.1504 0.1536 0.1536 1.2161 1.2161 1.2184 1.2184
2.2469 2.2469 2.2487 2.2487 3.2365 3.2365 3.2380 3.2380
3.7959 3.7959 3.8009 3.8009 4.0583 4.0583 4.0613 4.0613
8.8454 8.8454 8.8518 8.8518 9.1670 9.1670 9.1721 9.1721
11.5029 11.5030
k =-0.0441 0.0272 0.5364 ( 4966 PWs) bands (ev):
-13.0349 -13.0349 -13.0346 -13.0346 -10.8418 -10.8418 -10.8412 -10.8412
-9.8266 -9.8266 -9.8254 -9.8254 -4.8265 -4.8265 -4.8244 -4.8244
-1.4922 -1.4922 -1.4893 -1.4893 -0.2018 -0.2018 -0.1930 -0.1930
0.1564 0.1564 0.1611 0.1611 1.2114 1.2114 1.2148 1.2148
2.2495 2.2495 2.2523 2.2523 3.2325 3.2325 3.2347 3.2347
3.7668 3.7668 3.7734 3.7734 4.0748 4.0748 4.0786 4.0786
8.8540 8.8540 8.8636 8.8636 9.1690 9.1690 9.1767 9.1767
11.5047 11.5047
k =-0.0588 0.0363 0.5364 ( 4962 PWs) bands (ev):
-13.0317 -13.0317 -13.0314 -13.0314 -10.8492 -10.8492 -10.8484 -10.8484
-9.8266 -9.8266 -9.8251 -9.8251 -4.8173 -4.8173 -4.8145 -4.8145
-1.4993 -1.4993 -1.4956 -1.4956 -0.1987 -0.1987 -0.1873 -0.1873
0.1651 0.1651 0.1712 0.1712 1.2051 1.2051 1.2096 1.2096
2.2531 2.2531 2.2568 2.2568 3.2270 3.2270 3.2300 3.2300
3.7323 3.7323 3.7402 3.7402 4.0929 4.0929 4.0970 4.0970
8.8660 8.8660 8.8787 8.8787 9.1727 9.1727 9.1831 9.1831
11.5072 11.5072
k =-0.0735 0.0454 0.5364 ( 4966 PWs) bands (ev):
-13.0277 -13.0277 -13.0272 -13.0272 -10.8585 -10.8585 -10.8575 -10.8575
-9.8266 -9.8266 -9.8248 -9.8248 -4.8055 -4.8055 -4.8021 -4.8021
-1.5082 -1.5082 -1.5037 -1.5037 -0.1941 -0.1941 -0.1804 -0.1804
0.1765 0.1765 0.1837 0.1837 1.1971 1.1971 1.2029 1.2029
2.2574 2.2574 2.2621 2.2621 3.2201 3.2201 3.2238 3.2238
3.6946 3.6946 3.7036 3.7036 4.1107 4.1107 4.1149 4.1149
8.8808 8.8808 8.8966 8.8966 9.1787 9.1787 9.1917 9.1917
11.5103 11.5103
k =-0.0882 0.0544 0.5364 ( 4964 PWs) bands (ev):
-13.0228 -13.0228 -13.0222 -13.0222 -10.8697 -10.8697 -10.8686 -10.8686
-9.8266 -9.8266 -9.8244 -9.8244 -4.7911 -4.7911 -4.7870 -4.7870
-1.5189 -1.5189 -1.5137 -1.5137 -0.1880 -0.1880 -0.1723 -0.1723
0.1904 0.1904 0.1987 0.1987 1.1876 1.1876 1.1945 1.1945
2.2619 2.2619 2.2677 2.2677 3.2117 3.2117 3.2163 3.2163
3.6553 3.6553 3.6652 3.6652 4.1270 4.1270 4.1312 4.1312
8.8975 8.8975 8.9162 8.9162 9.1877 9.1877 9.2031 9.2031
11.5137 11.5137
k =-0.1029 0.0635 0.5364 ( 4960 PWs) bands (ev):
-13.0170 -13.0170 -13.0163 -13.0163 -10.8827 -10.8827 -10.8814 -10.8814
-9.8265 -9.8265 -9.8242 -9.8242 -4.7742 -4.7742 -4.7695 -4.7695
-1.5312 -1.5312 -1.5255 -1.5255 -0.1804 -0.1804 -0.1630 -0.1630
0.2069 0.2069 0.2159 0.2159 1.1765 1.1765 1.1847 1.1847
2.2663 2.2663 2.2733 2.2733 3.2021 3.2021 3.2075 3.2075
3.6155 3.6155 3.6263 3.6263 4.1413 4.1413 4.1455 4.1455
8.9153 8.9153 8.9364 8.9364 9.2004 9.2004 9.2179 9.2179
11.5170 11.5170
k =-0.1176 0.0726 0.5364 ( 4960 PWs) bands (ev):
-13.0104 -13.0104 -13.0097 -13.0097 -10.8973 -10.8973 -10.8958 -10.8958
-9.8266 -9.8266 -9.8239 -9.8239 -4.7549 -4.7549 -4.7496 -4.7496
-1.5452 -1.5452 -1.5389 -1.5389 -0.1713 -0.1713 -0.1526 -0.1526
0.2257 0.2257 0.2353 0.2353 1.1639 1.1639 1.1733 1.1733
2.2700 2.2700 2.2782 2.2782 3.1913 3.1913 3.1976 3.1976
3.5762 3.5762 3.5876 3.5876 4.1532 4.1532 4.1573 4.1573
8.9329 8.9329 8.9558 8.9558 9.2180 9.2180 9.2371 9.2371
11.5199 11.5199
k =-0.1324 0.0816 0.5364 ( 4968 PWs) bands (ev):
-13.0030 -13.0030 -13.0022 -13.0022 -10.9134 -10.9134 -10.9119 -10.9119
-9.8266 -9.8266 -9.8238 -9.8238 -4.7333 -4.7333 -4.7275 -4.7275
-1.5607 -1.5607 -1.5540 -1.5540 -0.1608 -0.1608 -0.1410 -0.1410
0.2468 0.2468 0.2569 0.2569 1.1498 1.1498 1.1605 1.1605
2.2724 2.2724 2.2819 2.2819 3.1795 3.1795 3.1868 3.1868
3.5382 3.5382 3.5502 3.5502 4.1626 4.1626 4.1666 4.1666
8.9494 8.9494 8.9732 8.9732 9.2411 9.2411 9.2612 9.2612
11.5221 11.5221
k =-0.1471 0.0907 0.5364 ( 4964 PWs) bands (ev):
-12.9949 -12.9949 -12.9940 -12.9940 -10.9310 -10.9310 -10.9293 -10.9293
-9.8268 -9.8268 -9.8238 -9.8238 -4.7095 -4.7095 -4.7032 -4.7032
-1.5776 -1.5776 -1.5707 -1.5707 -0.1487 -0.1487 -0.1282 -0.1282
0.2700 0.2700 0.2804 0.2804 1.1342 1.1342 1.1463 1.1463
2.2729 2.2729 2.2838 2.2838 3.1672 3.1672 3.1754 3.1754
3.5021 3.5021 3.5145 3.5145 4.1693 4.1693 4.1733 4.1733
8.9641 8.9641 8.9879 8.9879 9.2704 9.2704 9.2906 9.2906
11.5232 11.5232
k =-0.1618 0.0998 0.5364 ( 4964 PWs) bands (ev):
-12.9861 -12.9861 -12.9851 -12.9851 -10.9497 -10.9497 -10.9480 -10.9480
-9.8270 -9.8270 -9.8238 -9.8238 -4.6837 -4.6837 -4.6769 -4.6769
-1.5959 -1.5959 -1.5887 -1.5887 -0.1353 -0.1353 -0.1144 -0.1144
0.2952 0.2952 0.3059 0.3059 1.1171 1.1171 1.1306 1.1306
2.2710 2.2710 2.2833 2.2833 3.1547 3.1547 3.1640 3.1640
3.4685 3.4685 3.4812 3.4812 4.1734 4.1734 4.1774 4.1774
8.9766 8.9766 8.9995 8.9995 9.3055 9.3055 9.3255 9.3255
11.5227 11.5227
k =-0.1765 0.1089 0.5364 ( 4954 PWs) bands (ev):
-12.9765 -12.9765 -12.9755 -12.9755 -10.9696 -10.9696 -10.9678 -10.9678
-9.8273 -9.8273 -9.8240 -9.8240 -4.6560 -4.6560 -4.6488 -4.6488
-1.6153 -1.6153 -1.6081 -1.6081 -0.1205 -0.1205 -0.0994 -0.0994
0.3224 0.3224 0.3332 0.3332 1.0986 1.0986 1.1136 1.1136
2.2660 2.2660 2.2797 2.2797 3.1428 3.1428 3.1529 3.1529
3.4377 3.4377 3.4504 3.4504 4.1750 4.1750 4.1790 4.1790
8.9867 8.9867 9.0082 9.0082 9.3460 9.3460 9.3654 9.3654
11.5205 11.5205
k =-0.1912 0.1179 0.5364 ( 4954 PWs) bands (ev):
-12.9664 -12.9664 -12.9653 -12.9653 -10.9905 -10.9905 -10.9886 -10.9886
-9.8277 -9.8277 -9.8244 -9.8244 -4.6266 -4.6266 -4.6190 -4.6190
-1.6359 -1.6359 -1.6286 -1.6286 -0.1045 -0.1045 -0.0834 -0.0834
0.3512 0.3512 0.3622 0.3622 1.0787 1.0787 1.0952 1.0952
2.2575 2.2575 2.2725 2.2725 3.1317 3.1317 3.1428 3.1428
3.4101 3.4101 3.4226 3.4226 4.1742 4.1742 4.1782 4.1782
8.9946 8.9946 9.0145 9.0145 9.3909 9.3909 9.4099 9.4099
11.5161 11.5161
k =-0.2059 0.1270 0.5364 ( 4950 PWs) bands (ev):
-12.9558 -12.9558 -12.9546 -12.9546 -11.0121 -11.0121 -11.0101 -11.0101
-9.8282 -9.8282 -9.8249 -9.8249 -4.5956 -4.5956 -4.5877 -4.5877
-1.6574 -1.6574 -1.6502 -1.6502 -0.0873 -0.0873 -0.0665 -0.0665
0.3816 0.3816 0.3928 0.3928 1.0575 1.0575 1.0755 1.0755
2.2451 2.2451 2.2615 2.2615 3.1222 3.1222 3.1338 3.1338
3.3857 3.3857 3.3978 3.3978 4.1711 4.1711 4.1751 4.1751
9.0007 9.0007 9.0190 9.0190 9.4395 9.4395 9.4583 9.4583
11.5094 11.5094
k =-0.2206 0.1361 0.5364 ( 4950 PWs) bands (ev):
-12.9446 -12.9446 -12.9434 -12.9434 -11.0343 -11.0343 -11.0323 -11.0323
-9.8289 -9.8289 -9.8255 -9.8255 -4.5633 -4.5633 -4.5552 -4.5552
-1.6798 -1.6798 -1.6726 -1.6726 -0.0690 -0.0690 -0.0485 -0.0485
0.4134 0.4134 0.4249 0.4249 1.0349 1.0349 1.0545 1.0545
2.2287 2.2287 2.2463 2.2463 3.1142 3.1142 3.1262 3.1262
3.3649 3.3649 3.3764 3.3764 4.1658 4.1658 4.1699 4.1699
9.0053 9.0053 9.0219 9.0219 9.4909 9.4909 9.5098 9.5098
11.5002 11.5002
k =-0.2353 0.1452 0.5364 ( 4958 PWs) bands (ev):
-12.9330 -12.9330 -12.9317 -12.9317 -11.0570 -11.0570 -11.0550 -11.0550
-9.8296 -9.8296 -9.8263 -9.8263 -4.5299 -4.5299 -4.5216 -4.5216
-1.7028 -1.7028 -1.6958 -1.6958 -0.0497 -0.0497 -0.0297 -0.0297
0.4464 0.4464 0.4583 0.4583 1.0109 1.0109 1.0322 1.0322
2.2085 2.2085 2.2272 2.2272 3.1077 3.1077 3.1197 3.1197
3.3478 3.3478 3.3584 3.3584 4.1585 4.1585 4.1627 4.1627
9.0087 9.0087 9.0239 9.0239 9.5444 9.5444 9.5638 9.5638
11.4884 11.4884
k =-0.2500 0.1542 0.5364 ( 4962 PWs) bands (ev):
-12.9211 -12.9211 -12.9198 -12.9198 -11.0799 -11.0799 -11.0779 -11.0779
-9.8304 -9.8304 -9.8271 -9.8271 -4.4956 -4.4956 -4.4871 -4.4871
-1.7263 -1.7263 -1.7196 -1.7196 -0.0294 -0.0294 -0.0101 -0.0101
0.4802 0.4802 0.4929 0.4929 0.9858 0.9858 1.0088 1.0088
2.1848 2.1848 2.2044 2.2044 3.1023 3.1023 3.1139 3.1139
3.3349 3.3349 3.3444 3.3444 4.1493 4.1493 4.1537 4.1537
9.0112 9.0112 9.0250 9.0250 9.5996 9.5996 9.6196 9.6196
11.4739 11.4739
k =-0.2647 0.1633 0.5364 ( 4978 PWs) bands (ev):
-12.9090 -12.9090 -12.9076 -12.9076 -11.1030 -11.1030 -11.1010 -11.1010
-9.8313 -9.8313 -9.8281 -9.8281 -4.4607 -4.4607 -4.4521 -4.4521
-1.7503 -1.7503 -1.7438 -1.7438 -0.0084 -0.0084 0.0104 0.0104
0.5147 0.5147 0.5283 0.5283 0.9595 0.9595 0.9842 0.9842
2.1582 2.1582 2.1785 2.1785 3.0971 3.0971 3.1081 3.1081
3.3266 3.3266 3.3348 3.3348 4.1385 4.1385 4.1430 4.1430
9.0130 9.0130 9.0256 9.0256 9.6558 9.6558 9.6768 9.6768
11.4567 11.4567
k =-0.2794 0.1724 0.5364 ( 4982 PWs) bands (ev):
-12.8966 -12.8966 -12.8953 -12.8953 -11.1260 -11.1260 -11.1240 -11.1240
-9.8323 -9.8323 -9.8292 -9.8292 -4.4253 -4.4253 -4.4168 -4.4168
-1.7744 -1.7744 -1.7682 -1.7682 0.0135 0.0135 0.0316 0.0316
0.5494 0.5494 0.5643 0.5643 0.9322 0.9322 0.9588 0.9588
2.1291 2.1291 2.1501 2.1501 3.0912 3.0912 3.1015 3.1015
3.3231 3.3231 3.3302 3.3302 4.1262 4.1262 4.1308 4.1308
9.0142 9.0142 9.0257 9.0257 9.7128 9.7128 9.7347 9.7347
11.4366 11.4366
k =-0.2941 0.1814 0.5364 ( 4984 PWs) bands (ev):
-12.8843 -12.8843 -12.8829 -12.8829 -11.1487 -11.1487 -11.1467 -11.1467
-9.8334 -9.8334 -9.8304 -9.8304 -4.3899 -4.3899 -4.3815 -4.3815
-1.7985 -1.7985 -1.7926 -1.7926 0.0361 0.0361 0.0536 0.0536
0.5839 0.5839 0.6006 0.6006 0.9041 0.9041 0.9328 0.9328
2.0985 2.0985 2.1200 2.1200 3.0839 3.0839 3.0934 3.0934
3.3246 3.3246 3.3307 3.3307 4.1125 4.1125 4.1174 4.1174
9.0151 9.0151 9.0256 9.0256 9.7701 9.7701 9.7930 9.7930
11.4138 11.4138
k =-0.3088 0.1905 0.5364 ( 4980 PWs) bands (ev):
-12.8720 -12.8720 -12.8706 -12.8706 -11.1709 -11.1709 -11.1690 -11.1690
-9.8345 -9.8345 -9.8316 -9.8316 -4.3547 -4.3547 -4.3464 -4.3464
-1.8225 -1.8225 -1.8169 -1.8169 0.0593 0.0593 0.0764 0.0764
0.6174 0.6174 0.6365 0.6365 0.8756 0.8756 0.9068 0.9068
2.0668 2.0668 2.0886 2.0886 3.0748 3.0748 3.0837 3.0837
3.3307 3.3307 3.3363 3.3363 4.0978 4.0978 4.1028 4.1028
9.0157 9.0157 9.0252 9.0252 9.8274 9.8274 9.8513 9.8513
11.3883 11.3883
k =-0.3235 0.1996 0.5364 ( 4982 PWs) bands (ev):
-12.8598 -12.8598 -12.8585 -12.8585 -11.1925 -11.1925 -11.1907 -11.1907
-9.8356 -9.8356 -9.8329 -9.8329 -4.3201 -4.3201 -4.3119 -4.3119
-1.8461 -1.8461 -1.8408 -1.8408 0.0831 0.0831 0.0998 0.0998
0.6486 0.6486 0.6713 0.6713 0.8475 0.8475 0.8817 0.8817
2.0349 2.0349 2.0568 2.0568 3.0640 3.0640 3.0724 3.0724
3.3409 3.3409 3.3464 3.3464 4.0821 4.0821 4.0872 4.0872
9.0161 9.0161 9.0248 9.0248 9.8844 9.8844 9.9092 9.9092
11.3601 11.3601
k =-0.3382 0.2087 0.5364 ( 4986 PWs) bands (ev):
-12.8480 -12.8480 -12.8467 -12.8467 -11.2133 -11.2133 -11.2116 -11.2116
-9.8367 -9.8367 -9.8342 -9.8342 -4.2862 -4.2862 -4.2784 -4.2784
-1.8691 -1.8691 -1.8641 -1.8641 0.1076 0.1076 0.1240 0.1240
0.6751 0.6751 0.7026 0.7026 0.8219 0.8219 0.8597 0.8597
2.0032 2.0032 2.0251 2.0251 3.0519 3.0519 3.0598 3.0598
3.3545 3.3545 3.3601 3.3601 4.0657 4.0657 4.0709 4.0709
9.0164 9.0164 9.0242 9.0242 9.9408 9.9408 9.9665 9.9665
11.3295 11.3295
k =-0.3529 0.2177 0.5364 ( 4980 PWs) bands (ev):
-12.8365 -12.8365 -12.8353 -12.8353 -11.2331 -11.2331 -11.2315 -11.2315
-9.8378 -9.8378 -9.8354 -9.8354 -4.2536 -4.2536 -4.2462 -4.2462
-1.8913 -1.8913 -1.8867 -1.8867 0.1326 0.1326 0.1489 0.1489
0.6920 0.6920 0.7235 0.7235 0.8056 0.8056 0.8451 0.8451
1.9725 1.9725 1.9940 1.9940 3.0388 3.0388 3.0464 3.0464
3.3708 3.3708 3.3765 3.3765 4.0488 4.0488 4.0541 4.0541
9.0166 9.0166 9.0236 9.0236 9.9964 9.9964 10.0227 10.0227
11.2967 11.2967
k =-0.3676 0.2268 0.5364 ( 4976 PWs) bands (ev):
-12.8256 -12.8256 -12.8245 -12.8245 -11.2517 -11.2517 -11.2502 -11.2502
-9.8388 -9.8388 -9.8367 -9.8367 -4.2226 -4.2226 -4.2155 -4.2155
-1.9124 -1.9124 -1.9081 -1.9081 0.1582 0.1582 0.1744 0.1744
0.6932 0.6932 0.7212 0.7212 0.8117 0.8117 0.8436 0.8436
1.9430 1.9430 1.9640 1.9640 3.0255 3.0255 3.0325 3.0325
3.3889 3.3889 3.3947 3.3947 4.0316 4.0316 4.0369 4.0369
9.0167 9.0167 9.0230 9.0230 10.0506 10.0506 10.0775 10.0775
11.2623 11.2623
k =-0.3824 0.2359 0.5364 ( 4986 PWs) bands (ev):
-12.8154 -12.8154 -12.8143 -12.8143 -11.2689 -11.2689 -11.2675 -11.2675
-9.8398 -9.8398 -9.8379 -9.8379 -4.1934 -4.1934 -4.1869 -4.1869
-1.9322 -1.9322 -1.9283 -1.9283 0.1843 0.1843 0.2007 0.2007
0.6778 0.6778 0.7009 0.7009 0.8345 0.8345 0.8559 0.8559
1.9154 1.9154 1.9355 1.9355 3.0122 3.0122 3.0187 3.0187
3.4081 3.4081 3.4138 3.4138 4.0145 4.0145 4.0197 4.0197
9.0169 9.0169 9.0225 9.0225 10.1033 10.1033 10.1303 10.1303
11.2268 11.2268
k =-0.3971 0.2449 0.5364 ( 4986 PWs) bands (ev):
-12.8060 -12.8060 -12.8050 -12.8050 -11.2846 -11.2846 -11.2833 -11.2833
-9.8407 -9.8407 -9.8390 -9.8390 -4.1665 -4.1665 -4.1606 -4.1606
-1.9504 -1.9504 -1.9470 -1.9470 0.2109 0.2109 0.2275 0.2275
0.6526 0.6526 0.6740 0.6740 0.8613 0.8613 0.8760 0.8760
1.8900 1.8900 1.9088 1.9088 2.9995 2.9995 3.0054 3.0054
3.4276 3.4276 3.4331 3.4331 3.9977 3.9977 4.0027 4.0027
9.0170 9.0170 9.0219 9.0219 10.1540 10.1540 10.1807 10.1807
11.1911 11.1911
k =-0.4118 0.2540 0.5364 ( 4990 PWs) bands (ev):
-12.7975 -12.7975 -12.7966 -12.7966 -11.2986 -11.2986 -11.2975 -11.2975
-9.8415 -9.8415 -9.8400 -9.8400 -4.1423 -4.1423 -4.1371 -4.1371
-1.9668 -1.9668 -1.9638 -1.9638 0.2381 0.2381 0.2550 0.2550
0.6231 0.6231 0.6443 0.6443 0.8876 0.8876 0.8985 0.8985
1.8672 1.8672 1.8843 1.8843 2.9878 2.9878 2.9930 2.9930
3.4468 3.4468 3.4520 3.4520 3.9817 3.9817 3.9864 3.9864
9.0172 9.0172 9.0213 9.0213 10.2020 10.2020 10.2279 10.2279
11.1561 11.1561
k =-0.4265 0.2631 0.5364 ( 5004 PWs) bands (ev):
-12.7900 -12.7900 -12.7893 -12.7893 -11.3107 -11.3107 -11.3097 -11.3097
-9.8422 -9.8422 -9.8409 -9.8409 -4.1210 -4.1210 -4.1165 -4.1165
-1.9812 -1.9812 -1.9786 -1.9786 0.2656 0.2656 0.2829 0.2829
0.5920 0.5920 0.6132 0.6132 0.9118 0.9118 0.9203 0.9203
1.8473 1.8473 1.8625 1.8625 2.9773 2.9773 2.9817 2.9817
3.4649 3.4649 3.4696 3.4696 3.9668 3.9668 3.9711 3.9711
9.0173 9.0173 9.0208 9.0208 10.2466 10.2466 10.2711 10.2711
11.1230 11.1230
k =-0.4412 0.2722 0.5364 ( 5004 PWs) bands (ev):
-12.7838 -12.7838 -12.7832 -12.7832 -11.3208 -11.3208 -11.3200 -11.3200
-9.8427 -9.8427 -9.8417 -9.8417 -4.1030 -4.1030 -4.0994 -4.0994
-1.9932 -1.9932 -1.9912 -1.9912 0.2936 0.2936 0.3110 0.3110
0.5606 0.5606 0.5816 0.5816 0.9329 0.9329 0.9396 0.9396
1.8308 1.8308 1.8436 1.8436 2.9684 2.9684 2.9720 2.9720
3.4813 3.4813 3.4853 3.4853 3.9535 3.9535 3.9573 3.9573
9.0176 9.0176 9.0203 9.0203 10.2870 10.2870 10.3089 10.3089
11.0933 11.0933
k =-0.4559 0.2812 0.5364 ( 5000 PWs) bands (ev):
-12.7788 -12.7788 -12.7783 -12.7783 -11.3287 -11.3287 -11.3281 -11.3281
-9.8431 -9.8431 -9.8424 -9.8424 -4.0886 -4.0886 -4.0858 -4.0858
-2.0028 -2.0028 -2.0012 -2.0012 0.3215 0.3215 0.3389 0.3389
0.5301 0.5301 0.5503 0.5503 0.9504 0.9504 0.9555 0.9555
1.8180 1.8180 1.8279 1.8279 2.9613 2.9613 2.9641 2.9641
3.4952 3.4952 3.4984 3.4984 3.9425 3.9425 3.9455 3.9455
9.0178 9.0178 9.0199 9.0199 10.3218 10.3218 10.3400 10.3400
11.0685 11.0685
k =-0.4706 0.2903 0.5364 ( 5004 PWs) bands (ev):
-12.7751 -12.7751 -12.7748 -12.7748 -11.3344 -11.3344 -11.3340 -11.3340
-9.8434 -9.8434 -9.8429 -9.8429 -4.0780 -4.0780 -4.0761 -4.0761
-2.0096 -2.0096 -2.0086 -2.0086 0.3488 0.3488 0.3651 0.3651
0.5019 0.5019 0.5202 0.5202 0.9636 0.9636 0.9671 0.9671
1.8091 1.8091 1.8159 1.8159 2.9562 2.9562 2.9581 2.9581
3.5060 3.5060 3.5082 3.5082 3.9343 3.9343 3.9364 3.9364
9.0181 9.0181 9.0195 9.0195 10.3496 10.3496 10.3627 10.3627
11.0506 11.0506
k =-0.4853 0.2994 0.5364 ( 5002 PWs) bands (ev):
-12.7728 -12.7728 -12.7727 -12.7727 -11.3378 -11.3378 -11.3376 -11.3376
-9.8435 -9.8435 -9.8433 -9.8433 -4.0713 -4.0713 -4.0704 -4.0704
-2.0137 -2.0137 -2.0132 -2.0132 0.3736 0.3736 0.3856 0.3856
0.4805 0.4805 0.4934 0.4934 0.9720 0.9720 0.9738 0.9738
1.8044 1.8044 1.8079 1.8079 2.9533 2.9533 2.9543 2.9543
3.5130 3.5130 3.5141 3.5141 3.9293 3.9293 3.9304 3.9304
9.0184 9.0184 9.0191 9.0191 10.3686 10.3686 10.3756 10.3756
11.0410 11.0410
k =-0.5000 0.3085 0.5364 ( 5008 PWs) bands (ev):
-12.7720 -12.7720 -12.7720 -12.7720 -11.3389 -11.3389 -11.3389 -11.3389
-9.8435 -9.8435 -9.8435 -9.8435 -4.0688 -4.0688 -4.0688 -4.0688
-2.0149 -2.0149 -2.0149 -2.0149 0.3896 0.3896 0.3896 0.3896
0.4765 0.4765 0.4765 0.4765 0.9755 0.9755 0.9755 0.9755
1.8040 1.8040 1.8040 1.8040 2.9527 2.9527 2.9527 2.9527
3.5158 3.5158 3.5158 3.5158 3.9280 3.9280 3.9280 3.9280
9.0187 9.0187 9.0187 9.0187 10.3776 10.3776 10.3776 10.3776
11.0408 11.0408
Writing output data file Ge2N2O.save
init_run : 2.31s CPU 11.56s WALL ( 1 calls)
electrons : 1099.00s CPU 1110.48s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.03s WALL ( 1 calls)
potinit : 0.44s CPU 1.43s WALL ( 1 calls)
Called by electrons:
c_bands : 1098.97s CPU 1110.13s WALL ( 1 calls)
v_of_rho : 0.08s CPU 0.89s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.08s CPU 0.63s WALL ( 1 calls)
newd : 0.20s CPU 0.45s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.01s CPU 0.30s WALL ( 354 calls)
cegterg : 1018.79s CPU 1025.10s WALL ( 1158 calls)
Called by sum_band:
Called by *egterg:
h_psi : 365.66s CPU 377.87s WALL ( 21669 calls)
s_psi : 29.76s CPU 30.21s WALL ( 21669 calls)
g_psi : 1.05s CPU 1.10s WALL ( 20157 calls)
cdiaghg : 463.92s CPU 458.93s WALL ( 20511 calls)
cegterg:over : 85.76s CPU 82.91s WALL ( 20157 calls)
cegterg:upda : 21.17s CPU 26.97s WALL ( 20157 calls)
cegterg:last : 17.61s CPU 18.51s WALL ( 2569 calls)
Called by h_psi:
h_psi:vloc : 284.34s CPU 294.63s WALL ( 21669 calls)
h_psi:vnl : 80.74s CPU 82.02s WALL ( 21669 calls)
add_vuspsi : 24.05s CPU 27.75s WALL ( 21669 calls)
General routines
calbec : 56.62s CPU 54.08s WALL ( 21669 calls)
fft : 0.46s CPU 1.29s WALL ( 19 calls)
ffts : 0.02s CPU 0.02s WALL ( 4 calls)
fftw : 266.88s CPU 273.95s WALL ( 1673124 calls)
interpolate : 0.11s CPU 0.12s WALL ( 4 calls)
davcio : 0.03s CPU 4.76s WALL ( 708 calls)
Parallel routines
fft_scatter : 169.50s CPU 175.47s WALL ( 1673147 calls)
PWSCF : 19m39.07s CPU 27m45.61s WALL
This run was terminated on: 17:43:52 24Nov2015
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=