Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:47:25
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 36 processors
R & G space division: proc/nbgrp/npool/nimage = 36
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:
./CaxMnGex2.save/
file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 80 80 22 1696 1696 255
Max 81 81 23 1698 1698 258
Sum 2909 2909 819 61091 61091 9243
bravais-lattice index = 14
lattice parameter (alat) = 11.6650 a.u.
unit-cell volume = 632.6822 (a.u.)^3
number of atoms/cell = 5
number of atomic types = 3
number of electrons = 48.00
number of Kohn-Sham states= 58
kinetic-energy cutoff = 80.0000 Ry
charge density cutoff = 320.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 11.664975 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= -0.773374 celldm(5)= -0.773374 celldm(6)= 0.546748
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.546748 0.837297 0.000000 )
a(3) = ( -0.773374 -0.418648 0.476052 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.652992 1.050305 )
b(2) = ( 0.000000 1.194319 1.050305 )
b(3) = ( 0.000000 0.000000 2.100610 )
PseudoPot. # 1 for Ge read from file:
/users/gautes/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 Mn read from file:
/users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF
MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc
Pseudo is Norm-conserving, Zval = 15.0
Generated using ONCVPSP code by D. R. Hamann
Using radial grid of 1464 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
PseudoPot. # 3 for Ca read from file:
/users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 60bd286d514994a6a955285ae841e6ef
Pseudo is Ultrasoft + core correction, Zval = 10.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1169 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
Ge 4.00 72.64000 Ge( 1.00)
Mn 15.00 54.93800 Mn( 1.00)
Ca 10.00 40.07800 Ca( 1.00)
4 Sym. Ops., with inversion, found
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 )
( 0 -1 0 )
( 1 1 1 )
cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 3 inversion
cryst. s( 3) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 4 inv. 180 deg rotation - cart. axis [0,0,1]
cryst. s( 4) = ( 1 0 0 )
( 0 1 0 )
( -1 -1 -1 )
cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
double point group C_2h (2/m)
there are 8 classes and 4 irreducible representations
the character table:
E -E C2 -C2 i -i s_h -s_h
G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00
G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00
G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00
G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00
imaginary part
E -E C2 -C2 i -i s_h -s_h
G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00
G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00
G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00
G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
C2 2
180 deg rotation - cart. axis [0,0,1]
-C2 -2
180 deg rotation - cart. axis [0,0,1] E
i 3
inversion
-i -3
inversion E
s_h 4
inv. 180 deg rotation - cart. axis [0,0,1]
-s_h -4
inv. 180 deg rotation - cart. axis [0,0,1] E
Cartesian axes
number of k points= 344 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070
k( 2) = ( 0.0000000 0.0000000 0.0194501), wk = 0.0029070
k( 3) = ( 0.0000000 0.0000000 0.0389002), wk = 0.0029070
k( 4) = ( 0.0000000 0.0000000 0.0583503), wk = 0.0029070
k( 5) = ( 0.0000000 0.0000000 0.0778004), wk = 0.0029070
k( 6) = ( 0.0000000 0.0000000 0.0972505), wk = 0.0029070
k( 7) = ( 0.0000000 0.0000000 0.1167005), wk = 0.0029070
k( 8) = ( 0.0000000 0.0000000 0.1361506), wk = 0.0029070
k( 9) = ( 0.0000000 0.0000000 0.1556007), wk = 0.0029070
k( 10) = ( 0.0000000 0.0000000 0.1750508), wk = 0.0029070
k( 11) = ( 0.0000000 0.0000000 0.1945009), wk = 0.0029070
k( 12) = ( 0.0000000 0.0000000 0.2139510), wk = 0.0029070
k( 13) = ( 0.0000000 0.0000000 0.2334011), wk = 0.0029070
k( 14) = ( 0.0000000 0.0000000 0.2528512), wk = 0.0029070
k( 15) = ( 0.0000000 0.0000000 0.2723012), wk = 0.0029070
k( 16) = ( 0.0000000 0.0000000 0.2917513), wk = 0.0029070
k( 17) = ( 0.0000000 0.0000000 0.3112014), wk = 0.0029070
k( 18) = ( 0.0000000 0.0000000 0.3306515), wk = 0.0029070
k( 19) = ( 0.0000000 0.0000000 0.3501016), wk = 0.0029070
k( 20) = ( 0.0000000 0.0000000 0.3695517), wk = 0.0029070
k( 21) = ( 0.0000000 0.0000000 0.3890018), wk = 0.0029070
k( 22) = ( 0.0000000 0.0000000 0.4084519), wk = 0.0029070
k( 23) = ( 0.0000000 0.0000000 0.4279020), wk = 0.0029070
k( 24) = ( 0.0000000 0.0000000 0.4473520), wk = 0.0029070
k( 25) = ( 0.0000000 0.0000000 0.4668021), wk = 0.0029070
k( 26) = ( 0.0000000 0.0000000 0.4862522), wk = 0.0029070
k( 27) = ( 0.0000000 0.0000000 0.5057023), wk = 0.0029070
k( 28) = ( 0.0000000 0.0000000 0.5251524), wk = 0.0029070
k( 29) = ( 0.0000000 0.0000000 0.5446025), wk = 0.0029070
k( 30) = ( 0.0000000 0.0000000 0.5640526), wk = 0.0029070
k( 31) = ( 0.0000000 0.0000000 0.5835027), wk = 0.0029070
k( 32) = ( 0.0000000 0.0000000 0.6029528), wk = 0.0029070
k( 33) = ( 0.0000000 0.0000000 0.6224029), wk = 0.0029070
k( 34) = ( 0.0000000 0.0000000 0.6418530), wk = 0.0029070
k( 35) = ( 0.0000000 0.0000000 0.6613030), wk = 0.0029070
k( 36) = ( 0.0000000 0.0000000 0.6807531), wk = 0.0029070
k( 37) = ( 0.0000000 0.0000000 0.7002032), wk = 0.0029070
k( 38) = ( 0.0000000 0.0000000 0.7196533), wk = 0.0029070
k( 39) = ( 0.0000000 0.0000000 0.7391034), wk = 0.0029070
k( 40) = ( 0.0000000 0.0000000 0.7585535), wk = 0.0029070
k( 41) = ( 0.0000000 0.0000000 0.7780036), wk = 0.0029070
k( 42) = ( 0.0000000 0.0000000 0.7974537), wk = 0.0029070
k( 43) = ( 0.0000000 0.0000000 0.8169037), wk = 0.0029070
k( 44) = ( 0.0000000 0.0000000 0.8363538), wk = 0.0029070
k( 45) = ( 0.0000000 0.0000000 0.8558039), wk = 0.0029070
k( 46) = ( 0.0000000 0.0000000 0.8752540), wk = 0.0029070
k( 47) = ( 0.0000000 0.0000000 0.8947041), wk = 0.0029070
k( 48) = ( 0.0000000 0.0000000 0.9141542), wk = 0.0029070
k( 49) = ( 0.0000000 0.0000000 0.9336043), wk = 0.0029070
k( 50) = ( 0.0000000 0.0000000 0.9530544), wk = 0.0029070
k( 51) = ( 0.0000000 0.0000000 0.9725045), wk = 0.0029070
k( 52) = ( 0.0000000 0.0000000 0.9919545), wk = 0.0029070
k( 53) = ( 0.0000000 0.0000000 1.0114046), wk = 0.0029070
k( 54) = ( 0.0000000 0.0000000 1.0308547), wk = 0.0029070
k( 55) = ( 0.0000000 0.0000000 1.0503048), wk = 0.0029070
k( 56) = ( 0.0000000 0.0000000 1.0503048), wk = 0.0029070
k( 57) = ( -0.0091573 0.0169165 1.0503048), wk = 0.0029070
k( 58) = ( -0.0183147 0.0338329 1.0503048), wk = 0.0029070
k( 59) = ( -0.0274720 0.0507494 1.0503048), wk = 0.0029070
k( 60) = ( -0.0366294 0.0676659 1.0503048), wk = 0.0029070
k( 61) = ( -0.0457867 0.0845824 1.0503048), wk = 0.0029070
k( 62) = ( -0.0549441 0.1014988 1.0503048), wk = 0.0029070
k( 63) = ( -0.0641014 0.1184153 1.0503048), wk = 0.0029070
k( 64) = ( -0.0732588 0.1353318 1.0503048), wk = 0.0029070
k( 65) = ( -0.0732588 0.1353318 1.0503048), wk = 0.0029070
k( 66) = ( -0.0797245 0.1472761 1.0367227), wk = 0.0029070
k( 67) = ( -0.0861903 0.1592204 1.0231407), wk = 0.0029070
k( 68) = ( -0.0926561 0.1711647 1.0095586), wk = 0.0029070
k( 69) = ( -0.0991219 0.1831090 0.9959765), wk = 0.0029070
k( 70) = ( -0.1055877 0.1950533 0.9823945), wk = 0.0029070
k( 71) = ( -0.1120534 0.2069976 0.9688124), wk = 0.0029070
k( 72) = ( -0.1185192 0.2189419 0.9552303), wk = 0.0029070
k( 73) = ( -0.1249850 0.2308862 0.9416482), wk = 0.0029070
k( 74) = ( -0.1314508 0.2428305 0.9280662), wk = 0.0029070
k( 75) = ( -0.1379165 0.2547748 0.9144841), wk = 0.0029070
k( 76) = ( -0.1443823 0.2667191 0.9009020), wk = 0.0029070
k( 77) = ( -0.1508481 0.2786634 0.8873199), wk = 0.0029070
k( 78) = ( -0.1573139 0.2906077 0.8737379), wk = 0.0029070
k( 79) = ( -0.1637796 0.3025520 0.8601558), wk = 0.0029070
k( 80) = ( -0.1702454 0.3144964 0.8465737), wk = 0.0029070
k( 81) = ( -0.1767112 0.3264407 0.8329917), wk = 0.0029070
k( 82) = ( -0.1831770 0.3383850 0.8194096), wk = 0.0029070
k( 83) = ( -0.1896427 0.3503293 0.8058275), wk = 0.0029070
k( 84) = ( -0.1961085 0.3622736 0.7922454), wk = 0.0029070
k( 85) = ( -0.2025743 0.3742179 0.7786634), wk = 0.0029070
k( 86) = ( -0.2090401 0.3861622 0.7650813), wk = 0.0029070
k( 87) = ( -0.2155058 0.3981065 0.7514992), wk = 0.0029070
k( 88) = ( -0.2219716 0.4100508 0.7379172), wk = 0.0029070
k( 89) = ( -0.2284374 0.4219951 0.7243351), wk = 0.0029070
k( 90) = ( -0.2349032 0.4339394 0.7107530), wk = 0.0029070
k( 91) = ( -0.2413689 0.4458837 0.6971710), wk = 0.0029070
k( 92) = ( -0.2478347 0.4578280 0.6835889), wk = 0.0029070
k( 93) = ( -0.2543005 0.4697723 0.6700068), wk = 0.0029070
k( 94) = ( -0.2607663 0.4817166 0.6564247), wk = 0.0029070
k( 95) = ( -0.2672320 0.4936609 0.6428427), wk = 0.0029070
k( 96) = ( -0.2736978 0.5056052 0.6292606), wk = 0.0029070
k( 97) = ( -0.2801636 0.5175495 0.6156785), wk = 0.0029070
k( 98) = ( -0.2866294 0.5294938 0.6020964), wk = 0.0029070
k( 99) = ( -0.2866294 0.5294938 0.6020964), wk = 0.0029070
k( 100) = ( -0.2801151 0.5174599 0.5884124), wk = 0.0029070
k( 101) = ( -0.2736008 0.5054259 0.5747284), wk = 0.0029070
k( 102) = ( -0.2670865 0.4933920 0.5610444), wk = 0.0029070
k( 103) = ( -0.2605722 0.4813580 0.5473604), wk = 0.0029070
k( 104) = ( -0.2540579 0.4693241 0.5336764), wk = 0.0029070
k( 105) = ( -0.2475436 0.4572901 0.5199924), wk = 0.0029070
k( 106) = ( -0.2410293 0.4452562 0.5063084), wk = 0.0029070
k( 107) = ( -0.2345149 0.4332222 0.4926244), wk = 0.0029070
k( 108) = ( -0.2280006 0.4211883 0.4789404), wk = 0.0029070
k( 109) = ( -0.2214863 0.4091543 0.4652563), wk = 0.0029070
k( 110) = ( -0.2149720 0.3971204 0.4515723), wk = 0.0029070
k( 111) = ( -0.2084577 0.3850864 0.4378883), wk = 0.0029070
k( 112) = ( -0.2019434 0.3730525 0.4242043), wk = 0.0029070
k( 113) = ( -0.1954291 0.3610185 0.4105203), wk = 0.0029070
k( 114) = ( -0.1889148 0.3489846 0.3968363), wk = 0.0029070
k( 115) = ( -0.1824005 0.3369506 0.3831523), wk = 0.0029070
k( 116) = ( -0.1758862 0.3249167 0.3694683), wk = 0.0029070
k( 117) = ( -0.1693719 0.3128827 0.3557843), wk = 0.0029070
k( 118) = ( -0.1628576 0.3008488 0.3421002), wk = 0.0029070
k( 119) = ( -0.1563433 0.2888148 0.3284162), wk = 0.0029070
k( 120) = ( -0.1498290 0.2767809 0.3147322), wk = 0.0029070
k( 121) = ( -0.1433147 0.2647469 0.3010482), wk = 0.0029070
k( 122) = ( -0.1368004 0.2527130 0.2873642), wk = 0.0029070
k( 123) = ( -0.1302861 0.2406790 0.2736802), wk = 0.0029070
k( 124) = ( -0.1237718 0.2286451 0.2599962), wk = 0.0029070
k( 125) = ( -0.1172575 0.2166111 0.2463122), wk = 0.0029070
k( 126) = ( -0.1107432 0.2045772 0.2326282), wk = 0.0029070
k( 127) = ( -0.1042289 0.1925432 0.2189442), wk = 0.0029070
k( 128) = ( -0.0977146 0.1805093 0.2052601), wk = 0.0029070
k( 129) = ( -0.0912003 0.1684753 0.1915761), wk = 0.0029070
k( 130) = ( -0.0846859 0.1564414 0.1778921), wk = 0.0029070
k( 131) = ( -0.0781716 0.1444074 0.1642081), wk = 0.0029070
k( 132) = ( -0.0716573 0.1323735 0.1505241), wk = 0.0029070
k( 133) = ( -0.0651430 0.1203395 0.1368401), wk = 0.0029070
k( 134) = ( -0.0586287 0.1083056 0.1231561), wk = 0.0029070
k( 135) = ( -0.0521144 0.0962716 0.1094721), wk = 0.0029070
k( 136) = ( -0.0456001 0.0842377 0.0957881), wk = 0.0029070
k( 137) = ( -0.0390858 0.0722037 0.0821041), wk = 0.0029070
k( 138) = ( -0.0325715 0.0601698 0.0684200), wk = 0.0029070
k( 139) = ( -0.0260572 0.0481358 0.0547360), wk = 0.0029070
k( 140) = ( -0.0195429 0.0361018 0.0410520), wk = 0.0029070
k( 141) = ( -0.0130286 0.0240679 0.0273680), wk = 0.0029070
k( 142) = ( -0.0065143 0.0120339 0.0136840), wk = 0.0029070
k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070
k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070
k( 145) = ( 0.0172414 0.0093332 0.0000000), wk = 0.0029070
k( 146) = ( 0.0344828 0.0186665 0.0000000), wk = 0.0029070
k( 147) = ( 0.0517241 0.0279997 0.0000000), wk = 0.0029070
k( 148) = ( 0.0689655 0.0373329 0.0000000), wk = 0.0029070
k( 149) = ( 0.0862069 0.0466661 0.0000000), wk = 0.0029070
k( 150) = ( 0.1034483 0.0559994 0.0000000), wk = 0.0029070
k( 151) = ( 0.1206897 0.0653326 0.0000000), wk = 0.0029070
k( 152) = ( 0.1379310 0.0746658 0.0000000), wk = 0.0029070
k( 153) = ( 0.1551724 0.0839990 0.0000000), wk = 0.0029070
k( 154) = ( 0.1724138 0.0933323 0.0000000), wk = 0.0029070
k( 155) = ( 0.1896552 0.1026655 0.0000000), wk = 0.0029070
k( 156) = ( 0.2068966 0.1119987 0.0000000), wk = 0.0029070
k( 157) = ( 0.2241379 0.1213319 0.0000000), wk = 0.0029070
k( 158) = ( 0.2413793 0.1306652 0.0000000), wk = 0.0029070
k( 159) = ( 0.2586207 0.1399984 0.0000000), wk = 0.0029070
k( 160) = ( 0.2758621 0.1493316 0.0000000), wk = 0.0029070
k( 161) = ( 0.2931034 0.1586649 0.0000000), wk = 0.0029070
k( 162) = ( 0.3103448 0.1679981 0.0000000), wk = 0.0029070
k( 163) = ( 0.3275862 0.1773313 0.0000000), wk = 0.0029070
k( 164) = ( 0.3448276 0.1866645 0.0000000), wk = 0.0029070
k( 165) = ( 0.3620690 0.1959978 0.0000000), wk = 0.0029070
k( 166) = ( 0.3793103 0.2053310 0.0000000), wk = 0.0029070
k( 167) = ( 0.3965517 0.2146642 0.0000000), wk = 0.0029070
k( 168) = ( 0.4137931 0.2239974 0.0000000), wk = 0.0029070
k( 169) = ( 0.4310345 0.2333307 0.0000000), wk = 0.0029070
k( 170) = ( 0.4482759 0.2426639 0.0000000), wk = 0.0029070
k( 171) = ( 0.4655172 0.2519971 0.0000000), wk = 0.0029070
k( 172) = ( 0.4827586 0.2613303 0.0000000), wk = 0.0029070
k( 173) = ( 0.5000000 0.2706636 0.0000000), wk = 0.0029070
k( 174) = ( 0.5000000 0.2706636 0.0000000), wk = 0.0029070
k( 175) = ( 0.4935342 0.2826079 0.0135821), wk = 0.0029070
k( 176) = ( 0.4870684 0.2945522 0.0271641), wk = 0.0029070
k( 177) = ( 0.4806027 0.3064965 0.0407462), wk = 0.0029070
k( 178) = ( 0.4741369 0.3184408 0.0543283), wk = 0.0029070
k( 179) = ( 0.4676711 0.3303851 0.0679104), wk = 0.0029070
k( 180) = ( 0.4612053 0.3423294 0.0814924), wk = 0.0029070
k( 181) = ( 0.4547396 0.3542737 0.0950745), wk = 0.0029070
k( 182) = ( 0.4482738 0.3662180 0.1086566), wk = 0.0029070
k( 183) = ( 0.4418080 0.3781623 0.1222387), wk = 0.0029070
k( 184) = ( 0.4353422 0.3901066 0.1358207), wk = 0.0029070
k( 185) = ( 0.4288765 0.4020509 0.1494028), wk = 0.0029070
k( 186) = ( 0.4224107 0.4139952 0.1629849), wk = 0.0029070
k( 187) = ( 0.4159449 0.4259395 0.1765669), wk = 0.0029070
k( 188) = ( 0.4094791 0.4378838 0.1901490), wk = 0.0029070
k( 189) = ( 0.4030134 0.4498281 0.2037311), wk = 0.0029070
k( 190) = ( 0.3965476 0.4617724 0.2173132), wk = 0.0029070
k( 191) = ( 0.3900818 0.4737168 0.2308952), wk = 0.0029070
k( 192) = ( 0.3836160 0.4856610 0.2444773), wk = 0.0029070
k( 193) = ( 0.3771503 0.4976054 0.2580594), wk = 0.0029070
k( 194) = ( 0.3706845 0.5095497 0.2716414), wk = 0.0029070
k( 195) = ( 0.3642187 0.5214940 0.2852235), wk = 0.0029070
k( 196) = ( 0.3577529 0.5334383 0.2988056), wk = 0.0029070
k( 197) = ( 0.3512871 0.5453826 0.3123876), wk = 0.0029070
k( 198) = ( 0.3448214 0.5573269 0.3259697), wk = 0.0029070
k( 199) = ( 0.3383556 0.5692712 0.3395518), wk = 0.0029070
k( 200) = ( 0.3318898 0.5812155 0.3531339), wk = 0.0029070
k( 201) = ( 0.3254240 0.5931598 0.3667159), wk = 0.0029070
k( 202) = ( 0.3189583 0.6051041 0.3802980), wk = 0.0029070
k( 203) = ( 0.3124925 0.6170484 0.3938801), wk = 0.0029070
k( 204) = ( 0.3060267 0.6289927 0.4074622), wk = 0.0029070
k( 205) = ( 0.2995609 0.6409370 0.4210442), wk = 0.0029070
k( 206) = ( 0.2930952 0.6528813 0.4346263), wk = 0.0029070
k( 207) = ( 0.2866294 0.6648256 0.4482084), wk = 0.0029070
k( 208) = ( 0.2866294 0.6648256 0.4482084), wk = 0.0029070
k( 209) = ( 0.2687151 0.6605965 0.4530174), wk = 0.0029070
k( 210) = ( 0.2508007 0.6563674 0.4578264), wk = 0.0029070
k( 211) = ( 0.2328864 0.6521383 0.4626354), wk = 0.0029070
k( 212) = ( 0.2149720 0.6479091 0.4674444), wk = 0.0029070
k( 213) = ( 0.1970577 0.6436800 0.4722534), wk = 0.0029070
k( 214) = ( 0.1791434 0.6394509 0.4770624), wk = 0.0029070
k( 215) = ( 0.1612290 0.6352218 0.4818714), wk = 0.0029070
k( 216) = ( 0.1433147 0.6309927 0.4866804), wk = 0.0029070
k( 217) = ( 0.1254004 0.6267636 0.4914894), wk = 0.0029070
k( 218) = ( 0.1074860 0.6225344 0.4962984), wk = 0.0029070
k( 219) = ( 0.0895717 0.6183053 0.5011074), wk = 0.0029070
k( 220) = ( 0.0716573 0.6140762 0.5059164), wk = 0.0029070
k( 221) = ( 0.0537430 0.6098471 0.5107254), wk = 0.0029070
k( 222) = ( 0.0358287 0.6056180 0.5155344), wk = 0.0029070
k( 223) = ( 0.0179143 0.6013888 0.5203434), wk = 0.0029070
k( 224) = ( 0.0000000 0.5971597 0.5251524), wk = 0.0029070
k( 225) = ( 0.0000000 0.5971597 0.5251524), wk = 0.0029070
k( 226) = ( 0.0065790 0.5850064 0.5389722), wk = 0.0029070
k( 227) = ( 0.0131579 0.5728530 0.5527920), wk = 0.0029070
k( 228) = ( 0.0197368 0.5606996 0.5666118), wk = 0.0029070
k( 229) = ( 0.0263158 0.5485463 0.5804316), wk = 0.0029070
k( 230) = ( 0.0328947 0.5363929 0.5942514), wk = 0.0029070
k( 231) = ( 0.0394737 0.5242395 0.6080712), wk = 0.0029070
k( 232) = ( 0.0460526 0.5120862 0.6218910), wk = 0.0029070
k( 233) = ( 0.0526316 0.4999328 0.6357108), wk = 0.0029070
k( 234) = ( 0.0592105 0.4877794 0.6495306), wk = 0.0029070
k( 235) = ( 0.0657895 0.4756261 0.6633504), wk = 0.0029070
k( 236) = ( 0.0723684 0.4634727 0.6771702), wk = 0.0029070
k( 237) = ( 0.0789474 0.4513193 0.6909900), wk = 0.0029070
k( 238) = ( 0.0855263 0.4391660 0.7048098), wk = 0.0029070
k( 239) = ( 0.0921053 0.4270126 0.7186296), wk = 0.0029070
k( 240) = ( 0.0986842 0.4148592 0.7324494), wk = 0.0029070
k( 241) = ( 0.1052632 0.4027059 0.7462692), wk = 0.0029070
k( 242) = ( 0.1118421 0.3905525 0.7600890), wk = 0.0029070
k( 243) = ( 0.1184210 0.3783991 0.7739088), wk = 0.0029070
k( 244) = ( 0.1250000 0.3662458 0.7877286), wk = 0.0029070
k( 245) = ( 0.1315790 0.3540924 0.8015484), wk = 0.0029070
k( 246) = ( 0.1381579 0.3419390 0.8153682), wk = 0.0029070
k( 247) = ( 0.1447368 0.3297857 0.8291880), wk = 0.0029070
k( 248) = ( 0.1513158 0.3176323 0.8430078), wk = 0.0029070
k( 249) = ( 0.1578947 0.3054789 0.8568276), wk = 0.0029070
k( 250) = ( 0.1644737 0.2933256 0.8706474), wk = 0.0029070
k( 251) = ( 0.1710526 0.2811722 0.8844672), wk = 0.0029070
k( 252) = ( 0.1776316 0.2690188 0.8982870), wk = 0.0029070
k( 253) = ( 0.1842105 0.2568654 0.9121068), wk = 0.0029070
k( 254) = ( 0.1907895 0.2447121 0.9259266), wk = 0.0029070
k( 255) = ( 0.1973684 0.2325587 0.9397464), wk = 0.0029070
k( 256) = ( 0.2039474 0.2204054 0.9535662), wk = 0.0029070
k( 257) = ( 0.2105263 0.2082520 0.9673860), wk = 0.0029070
k( 258) = ( 0.2171053 0.1960986 0.9812058), wk = 0.0029070
k( 259) = ( 0.2236842 0.1839453 0.9950256), wk = 0.0029070
k( 260) = ( 0.2302632 0.1717919 1.0088454), wk = 0.0029070
k( 261) = ( 0.2368421 0.1596385 1.0226652), wk = 0.0029070
k( 262) = ( 0.2434210 0.1474852 1.0364850), wk = 0.0029070
k( 263) = ( 0.2500000 0.1353318 1.0503048), wk = 0.0029070
k( 264) = ( 0.2500000 0.1353318 1.0503048), wk = 0.0029070
k( 265) = ( 0.2647059 0.1432925 1.0412526), wk = 0.0029070
k( 266) = ( 0.2794118 0.1512532 1.0322003), wk = 0.0029070
k( 267) = ( 0.2941177 0.1592139 1.0231481), wk = 0.0029070
k( 268) = ( 0.3088235 0.1671746 1.0140959), wk = 0.0029070
k( 269) = ( 0.3235294 0.1751352 1.0050436), wk = 0.0029070
k( 270) = ( 0.3382353 0.1830959 0.9959914), wk = 0.0029070
k( 271) = ( 0.3529412 0.1910566 0.9869392), wk = 0.0029070
k( 272) = ( 0.3676471 0.1990173 0.9778869), wk = 0.0029070
k( 273) = ( 0.3823529 0.2069780 0.9688347), wk = 0.0029070
k( 274) = ( 0.3970588 0.2149387 0.9597824), wk = 0.0029070
k( 275) = ( 0.4117647 0.2228994 0.9507302), wk = 0.0029070
k( 276) = ( 0.4264706 0.2308601 0.9416779), wk = 0.0029070
k( 277) = ( 0.4411765 0.2388208 0.9326257), wk = 0.0029070
k( 278) = ( 0.4558823 0.2467815 0.9235735), wk = 0.0029070
k( 279) = ( 0.4705882 0.2547422 0.9145212), wk = 0.0029070
k( 280) = ( 0.4852941 0.2627029 0.9054690), wk = 0.0029070
k( 281) = ( 0.5000000 0.2706636 0.8964167), wk = 0.0029070
k( 282) = ( 0.5000000 0.2706636 0.8964167), wk = 0.0029070
k( 283) = ( 0.5000000 0.2706636 0.8769294), wk = 0.0029070
k( 284) = ( 0.5000000 0.2706636 0.8574421), wk = 0.0029070
k( 285) = ( 0.5000000 0.2706636 0.8379548), wk = 0.0029070
k( 286) = ( 0.5000000 0.2706636 0.8184675), wk = 0.0029070
k( 287) = ( 0.5000000 0.2706636 0.7989802), wk = 0.0029070
k( 288) = ( 0.5000000 0.2706636 0.7794928), wk = 0.0029070
k( 289) = ( 0.5000000 0.2706636 0.7600055), wk = 0.0029070
k( 290) = ( 0.5000000 0.2706636 0.7405182), wk = 0.0029070
k( 291) = ( 0.5000000 0.2706636 0.7210309), wk = 0.0029070
k( 292) = ( 0.5000000 0.2706636 0.7015435), wk = 0.0029070
k( 293) = ( 0.5000000 0.2706636 0.6820562), wk = 0.0029070
k( 294) = ( 0.5000000 0.2706636 0.6625689), wk = 0.0029070
k( 295) = ( 0.5000000 0.2706636 0.6430816), wk = 0.0029070
k( 296) = ( 0.5000000 0.2706636 0.6235943), wk = 0.0029070
k( 297) = ( 0.5000000 0.2706636 0.6041069), wk = 0.0029070
k( 298) = ( 0.5000000 0.2706636 0.5846196), wk = 0.0029070
k( 299) = ( 0.5000000 0.2706636 0.5651323), wk = 0.0029070
k( 300) = ( 0.5000000 0.2706636 0.5456450), wk = 0.0029070
k( 301) = ( 0.5000000 0.2706636 0.5261577), wk = 0.0029070
k( 302) = ( 0.5000000 0.2706636 0.5066703), wk = 0.0029070
k( 303) = ( 0.5000000 0.2706636 0.4871830), wk = 0.0029070
k( 304) = ( 0.5000000 0.2706636 0.4676957), wk = 0.0029070
k( 305) = ( 0.5000000 0.2706636 0.4482084), wk = 0.0029070
k( 306) = ( 0.5000000 0.2706636 0.4287210), wk = 0.0029070
k( 307) = ( 0.5000000 0.2706636 0.4092337), wk = 0.0029070
k( 308) = ( 0.5000000 0.2706636 0.3897464), wk = 0.0029070
k( 309) = ( 0.5000000 0.2706636 0.3702591), wk = 0.0029070
k( 310) = ( 0.5000000 0.2706636 0.3507718), wk = 0.0029070
k( 311) = ( 0.5000000 0.2706636 0.3312845), wk = 0.0029070
k( 312) = ( 0.5000000 0.2706636 0.3117971), wk = 0.0029070
k( 313) = ( 0.5000000 0.2706636 0.2923098), wk = 0.0029070
k( 314) = ( 0.5000000 0.2706636 0.2728225), wk = 0.0029070
k( 315) = ( 0.5000000 0.2706636 0.2533352), wk = 0.0029070
k( 316) = ( 0.5000000 0.2706636 0.2338478), wk = 0.0029070
k( 317) = ( 0.5000000 0.2706636 0.2143605), wk = 0.0029070
k( 318) = ( 0.5000000 0.2706636 0.1948732), wk = 0.0029070
k( 319) = ( 0.5000000 0.2706636 0.1753859), wk = 0.0029070
k( 320) = ( 0.5000000 0.2706636 0.1558986), wk = 0.0029070
k( 321) = ( 0.5000000 0.2706636 0.1364112), wk = 0.0029070
k( 322) = ( 0.5000000 0.2706636 0.1169239), wk = 0.0029070
k( 323) = ( 0.5000000 0.2706636 0.0974366), wk = 0.0029070
k( 324) = ( 0.5000000 0.2706636 0.0779493), wk = 0.0029070
k( 325) = ( 0.5000000 0.2706636 0.0584620), wk = 0.0029070
k( 326) = ( 0.5000000 0.2706636 0.0389746), wk = 0.0029070
k( 327) = ( 0.5000000 0.2706636 0.0194873), wk = 0.0029070
k( 328) = ( 0.5000000 0.2706636 0.0000000), wk = 0.0029070
k( 329) = ( 0.0000000 0.0000000 1.0503048), wk = 0.0029070
k( 330) = ( 0.0166667 0.0090221 1.0503048), wk = 0.0029070
k( 331) = ( 0.0333333 0.0180442 1.0503048), wk = 0.0029070
k( 332) = ( 0.0500000 0.0270664 1.0503048), wk = 0.0029070
k( 333) = ( 0.0666667 0.0360885 1.0503048), wk = 0.0029070
k( 334) = ( 0.0833333 0.0451106 1.0503048), wk = 0.0029070
k( 335) = ( 0.1000000 0.0541327 1.0503048), wk = 0.0029070
k( 336) = ( 0.1166667 0.0631548 1.0503048), wk = 0.0029070
k( 337) = ( 0.1333333 0.0721769 1.0503048), wk = 0.0029070
k( 338) = ( 0.1500000 0.0811991 1.0503048), wk = 0.0029070
k( 339) = ( 0.1666667 0.0902212 1.0503048), wk = 0.0029070
k( 340) = ( 0.1833333 0.0992433 1.0503048), wk = 0.0029070
k( 341) = ( 0.2000000 0.1082654 1.0503048), wk = 0.0029070
k( 342) = ( 0.2166667 0.1172875 1.0503048), wk = 0.0029070
k( 343) = ( 0.2333333 0.1263097 1.0503048), wk = 0.0029070
k( 344) = ( 0.2500000 0.1353318 1.0503048), wk = 0.0029070
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070
k( 2) = ( 0.0000000 0.0000000 0.0092593), wk = 0.0029070
k( 3) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0029070
k( 4) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0029070
k( 5) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0029070
k( 6) = ( 0.0000000 0.0000000 0.0462963), wk = 0.0029070
k( 7) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0029070
k( 8) = ( 0.0000000 0.0000000 0.0648148), wk = 0.0029070
k( 9) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0029070
k( 10) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0029070
k( 11) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0029070
k( 12) = ( 0.0000000 0.0000000 0.1018519), wk = 0.0029070
k( 13) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0029070
k( 14) = ( 0.0000000 0.0000000 0.1203704), wk = 0.0029070
k( 15) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0029070
k( 16) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0029070
k( 17) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0029070
k( 18) = ( 0.0000000 0.0000000 0.1574074), wk = 0.0029070
k( 19) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029070
k( 20) = ( 0.0000000 0.0000000 0.1759259), wk = 0.0029070
k( 21) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0029070
k( 22) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0029070
k( 23) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0029070
k( 24) = ( 0.0000000 0.0000000 0.2129630), wk = 0.0029070
k( 25) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0029070
k( 26) = ( 0.0000000 0.0000000 0.2314815), wk = 0.0029070
k( 27) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0029070
k( 28) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029070
k( 29) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0029070
k( 30) = ( 0.0000000 0.0000000 0.2685185), wk = 0.0029070
k( 31) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0029070
k( 32) = ( 0.0000000 0.0000000 0.2870370), wk = 0.0029070
k( 33) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0029070
k( 34) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0029070
k( 35) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0029070
k( 36) = ( 0.0000000 0.0000000 0.3240741), wk = 0.0029070
k( 37) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029070
k( 38) = ( 0.0000000 0.0000000 0.3425926), wk = 0.0029070
k( 39) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0029070
k( 40) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0029070
k( 41) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0029070
k( 42) = ( 0.0000000 0.0000000 0.3796296), wk = 0.0029070
k( 43) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0029070
k( 44) = ( 0.0000000 0.0000000 0.3981482), wk = 0.0029070
k( 45) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0029070
k( 46) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0029070
k( 47) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0029070
k( 48) = ( 0.0000000 0.0000000 0.4351852), wk = 0.0029070
k( 49) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0029070
k( 50) = ( 0.0000000 0.0000000 0.4537037), wk = 0.0029070
k( 51) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0029070
k( 52) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0029070
k( 53) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0029070
k( 54) = ( 0.0000000 0.0000000 0.4907407), wk = 0.0029070
k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070
k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070
k( 57) = ( -0.0091573 0.0091574 0.5000000), wk = 0.0029070
k( 58) = ( -0.0183147 0.0183147 0.5000000), wk = 0.0029070
k( 59) = ( -0.0274720 0.0274720 0.5000000), wk = 0.0029070
k( 60) = ( -0.0366294 0.0366294 0.5000000), wk = 0.0029070
k( 61) = ( -0.0457867 0.0457867 0.5000000), wk = 0.0029070
k( 62) = ( -0.0549441 0.0549441 0.5000000), wk = 0.0029070
k( 63) = ( -0.0641014 0.0641014 0.5000000), wk = 0.0029070
k( 64) = ( -0.0732588 0.0732588 0.5000000), wk = 0.0029070
k( 65) = ( -0.0732588 0.0732588 0.5000000), wk = 0.0029070
k( 66) = ( -0.0797245 0.0797245 0.4935342), wk = 0.0029070
k( 67) = ( -0.0861903 0.0861903 0.4870685), wk = 0.0029070
k( 68) = ( -0.0926561 0.0926561 0.4806027), wk = 0.0029070
k( 69) = ( -0.0991219 0.0991219 0.4741369), wk = 0.0029070
k( 70) = ( -0.1055877 0.1055877 0.4676711), wk = 0.0029070
k( 71) = ( -0.1120534 0.1120534 0.4612053), wk = 0.0029070
k( 72) = ( -0.1185192 0.1185192 0.4547396), wk = 0.0029070
k( 73) = ( -0.1249850 0.1249850 0.4482738), wk = 0.0029070
k( 74) = ( -0.1314508 0.1314508 0.4418080), wk = 0.0029070
k( 75) = ( -0.1379165 0.1379165 0.4353422), wk = 0.0029070
k( 76) = ( -0.1443823 0.1443823 0.4288765), wk = 0.0029070
k( 77) = ( -0.1508481 0.1508481 0.4224107), wk = 0.0029070
k( 78) = ( -0.1573139 0.1573139 0.4159449), wk = 0.0029070
k( 79) = ( -0.1637796 0.1637796 0.4094791), wk = 0.0029070
k( 80) = ( -0.1702454 0.1702454 0.4030134), wk = 0.0029070
k( 81) = ( -0.1767112 0.1767112 0.3965476), wk = 0.0029070
k( 82) = ( -0.1831770 0.1831770 0.3900818), wk = 0.0029070
k( 83) = ( -0.1896427 0.1896427 0.3836160), wk = 0.0029070
k( 84) = ( -0.1961085 0.1961085 0.3771503), wk = 0.0029070
k( 85) = ( -0.2025743 0.2025743 0.3706845), wk = 0.0029070
k( 86) = ( -0.2090401 0.2090401 0.3642187), wk = 0.0029070
k( 87) = ( -0.2155058 0.2155058 0.3577529), wk = 0.0029070
k( 88) = ( -0.2219716 0.2219716 0.3512872), wk = 0.0029070
k( 89) = ( -0.2284374 0.2284374 0.3448214), wk = 0.0029070
k( 90) = ( -0.2349032 0.2349032 0.3383556), wk = 0.0029070
k( 91) = ( -0.2413689 0.2413690 0.3318898), wk = 0.0029070
k( 92) = ( -0.2478347 0.2478347 0.3254240), wk = 0.0029070
k( 93) = ( -0.2543005 0.2543005 0.3189583), wk = 0.0029070
k( 94) = ( -0.2607663 0.2607663 0.3124925), wk = 0.0029070
k( 95) = ( -0.2672320 0.2672320 0.3060267), wk = 0.0029070
k( 96) = ( -0.2736978 0.2736978 0.2995609), wk = 0.0029070
k( 97) = ( -0.2801636 0.2801636 0.2930952), wk = 0.0029070
k( 98) = ( -0.2866294 0.2866294 0.2866294), wk = 0.0029070
k( 99) = ( -0.2866294 0.2866294 0.2866294), wk = 0.0029070
k( 100) = ( -0.2801151 0.2801151 0.2801151), wk = 0.0029070
k( 101) = ( -0.2736008 0.2736008 0.2736008), wk = 0.0029070
k( 102) = ( -0.2670865 0.2670865 0.2670865), wk = 0.0029070
k( 103) = ( -0.2605722 0.2605722 0.2605722), wk = 0.0029070
k( 104) = ( -0.2540579 0.2540579 0.2540579), wk = 0.0029070
k( 105) = ( -0.2475436 0.2475436 0.2475436), wk = 0.0029070
k( 106) = ( -0.2410293 0.2410293 0.2410293), wk = 0.0029070
k( 107) = ( -0.2345149 0.2345150 0.2345149), wk = 0.0029070
k( 108) = ( -0.2280006 0.2280006 0.2280006), wk = 0.0029070
k( 109) = ( -0.2214863 0.2214863 0.2214863), wk = 0.0029070
k( 110) = ( -0.2149720 0.2149720 0.2149720), wk = 0.0029070
k( 111) = ( -0.2084577 0.2084577 0.2084577), wk = 0.0029070
k( 112) = ( -0.2019434 0.2019434 0.2019434), wk = 0.0029070
k( 113) = ( -0.1954291 0.1954291 0.1954291), wk = 0.0029070
k( 114) = ( -0.1889148 0.1889148 0.1889148), wk = 0.0029070
k( 115) = ( -0.1824005 0.1824005 0.1824005), wk = 0.0029070
k( 116) = ( -0.1758862 0.1758862 0.1758862), wk = 0.0029070
k( 117) = ( -0.1693719 0.1693719 0.1693719), wk = 0.0029070
k( 118) = ( -0.1628576 0.1628576 0.1628576), wk = 0.0029070
k( 119) = ( -0.1563433 0.1563433 0.1563433), wk = 0.0029070
k( 120) = ( -0.1498290 0.1498290 0.1498290), wk = 0.0029070
k( 121) = ( -0.1433147 0.1433147 0.1433147), wk = 0.0029070
k( 122) = ( -0.1368004 0.1368004 0.1368004), wk = 0.0029070
k( 123) = ( -0.1302861 0.1302861 0.1302861), wk = 0.0029070
k( 124) = ( -0.1237718 0.1237718 0.1237718), wk = 0.0029070
k( 125) = ( -0.1172575 0.1172575 0.1172575), wk = 0.0029070
k( 126) = ( -0.1107432 0.1107432 0.1107432), wk = 0.0029070
k( 127) = ( -0.1042289 0.1042289 0.1042289), wk = 0.0029070
k( 128) = ( -0.0977146 0.0977146 0.0977146), wk = 0.0029070
k( 129) = ( -0.0912003 0.0912003 0.0912003), wk = 0.0029070
k( 130) = ( -0.0846859 0.0846859 0.0846859), wk = 0.0029070
k( 131) = ( -0.0781716 0.0781717 0.0781716), wk = 0.0029070
k( 132) = ( -0.0716573 0.0716573 0.0716573), wk = 0.0029070
k( 133) = ( -0.0651430 0.0651430 0.0651430), wk = 0.0029070
k( 134) = ( -0.0586287 0.0586287 0.0586287), wk = 0.0029070
k( 135) = ( -0.0521144 0.0521144 0.0521144), wk = 0.0029070
k( 136) = ( -0.0456001 0.0456001 0.0456001), wk = 0.0029070
k( 137) = ( -0.0390858 0.0390858 0.0390858), wk = 0.0029070
k( 138) = ( -0.0325715 0.0325715 0.0325715), wk = 0.0029070
k( 139) = ( -0.0260572 0.0260572 0.0260572), wk = 0.0029070
k( 140) = ( -0.0195429 0.0195429 0.0195429), wk = 0.0029070
k( 141) = ( -0.0130286 0.0130286 0.0130286), wk = 0.0029070
k( 142) = ( -0.0065143 0.0065143 0.0065143), wk = 0.0029070
k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070
k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070
k( 145) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0029070
k( 146) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0029070
k( 147) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0029070
k( 148) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0029070
k( 149) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0029070
k( 150) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0029070
k( 151) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0029070
k( 152) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0029070
k( 153) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0029070
k( 154) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0029070
k( 155) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0029070
k( 156) = ( 0.2068966 0.2068965 -0.2068966), wk = 0.0029070
k( 157) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0029070
k( 158) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0029070
k( 159) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0029070
k( 160) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0029070
k( 161) = ( 0.2931034 0.2931034 -0.2931034), wk = 0.0029070
k( 162) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0029070
k( 163) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0029070
k( 164) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0029070
k( 165) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0029070
k( 166) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0029070
k( 167) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0029070
k( 168) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0029070
k( 169) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0029070
k( 170) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0029070
k( 171) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0029070
k( 172) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0029070
k( 173) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029070
k( 174) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029070
k( 175) = ( 0.4935342 0.5064658 -0.4935342), wk = 0.0029070
k( 176) = ( 0.4870684 0.5129315 -0.4870684), wk = 0.0029070
k( 177) = ( 0.4806027 0.5193973 -0.4806027), wk = 0.0029070
k( 178) = ( 0.4741369 0.5258631 -0.4741369), wk = 0.0029070
k( 179) = ( 0.4676711 0.5323289 -0.4676711), wk = 0.0029070
k( 180) = ( 0.4612053 0.5387947 -0.4612053), wk = 0.0029070
k( 181) = ( 0.4547396 0.5452604 -0.4547396), wk = 0.0029070
k( 182) = ( 0.4482738 0.5517262 -0.4482738), wk = 0.0029070
k( 183) = ( 0.4418080 0.5581920 -0.4418080), wk = 0.0029070
k( 184) = ( 0.4353422 0.5646578 -0.4353422), wk = 0.0029070
k( 185) = ( 0.4288765 0.5711235 -0.4288765), wk = 0.0029070
k( 186) = ( 0.4224107 0.5775893 -0.4224107), wk = 0.0029070
k( 187) = ( 0.4159449 0.5840551 -0.4159449), wk = 0.0029070
k( 188) = ( 0.4094791 0.5905209 -0.4094791), wk = 0.0029070
k( 189) = ( 0.4030134 0.5969866 -0.4030134), wk = 0.0029070
k( 190) = ( 0.3965476 0.6034524 -0.3965476), wk = 0.0029070
k( 191) = ( 0.3900818 0.6099182 -0.3900818), wk = 0.0029070
k( 192) = ( 0.3836160 0.6163840 -0.3836160), wk = 0.0029070
k( 193) = ( 0.3771503 0.6228497 -0.3771503), wk = 0.0029070
k( 194) = ( 0.3706845 0.6293155 -0.3706845), wk = 0.0029070
k( 195) = ( 0.3642187 0.6357813 -0.3642187), wk = 0.0029070
k( 196) = ( 0.3577529 0.6422471 -0.3577529), wk = 0.0029070
k( 197) = ( 0.3512871 0.6487129 -0.3512871), wk = 0.0029070
k( 198) = ( 0.3448214 0.6551786 -0.3448214), wk = 0.0029070
k( 199) = ( 0.3383556 0.6616444 -0.3383556), wk = 0.0029070
k( 200) = ( 0.3318898 0.6681102 -0.3318898), wk = 0.0029070
k( 201) = ( 0.3254240 0.6745760 -0.3254240), wk = 0.0029070
k( 202) = ( 0.3189583 0.6810417 -0.3189583), wk = 0.0029070
k( 203) = ( 0.3124925 0.6875075 -0.3124925), wk = 0.0029070
k( 204) = ( 0.3060267 0.6939733 -0.3060267), wk = 0.0029070
k( 205) = ( 0.2995609 0.7004391 -0.2995609), wk = 0.0029070
k( 206) = ( 0.2930952 0.7069048 -0.2930952), wk = 0.0029070
k( 207) = ( 0.2866294 0.7133706 -0.2866294), wk = 0.0029070
k( 208) = ( 0.2866294 0.7133706 -0.2866294), wk = 0.0029070
k( 209) = ( 0.2687151 0.7000350 -0.2687151), wk = 0.0029070
k( 210) = ( 0.2508007 0.6866993 -0.2508007), wk = 0.0029070
k( 211) = ( 0.2328864 0.6733636 -0.2328864), wk = 0.0029070
k( 212) = ( 0.2149720 0.6600280 -0.2149720), wk = 0.0029070
k( 213) = ( 0.1970577 0.6466923 -0.1970577), wk = 0.0029070
k( 214) = ( 0.1791434 0.6333566 -0.1791434), wk = 0.0029070
k( 215) = ( 0.1612290 0.6200210 -0.1612290), wk = 0.0029070
k( 216) = ( 0.1433147 0.6066853 -0.1433147), wk = 0.0029070
k( 217) = ( 0.1254004 0.5933496 -0.1254004), wk = 0.0029070
k( 218) = ( 0.1074860 0.5800140 -0.1074860), wk = 0.0029070
k( 219) = ( 0.0895717 0.5666783 -0.0895717), wk = 0.0029070
k( 220) = ( 0.0716573 0.5533427 -0.0716573), wk = 0.0029070
k( 221) = ( 0.0537430 0.5400070 -0.0537430), wk = 0.0029070
k( 222) = ( 0.0358287 0.5266713 -0.0358287), wk = 0.0029070
k( 223) = ( 0.0179143 0.5133357 -0.0179143), wk = 0.0029070
k( 224) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070
k( 225) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070
k( 226) = ( 0.0065790 0.4934211 0.0065789), wk = 0.0029070
k( 227) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0029070
k( 228) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0029070
k( 229) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0029070
k( 230) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0029070
k( 231) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0029070
k( 232) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0029070
k( 233) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0029070
k( 234) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0029070
k( 235) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0029070
k( 236) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0029070
k( 237) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0029070
k( 238) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0029070
k( 239) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0029070
k( 240) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0029070
k( 241) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0029070
k( 242) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0029070
k( 243) = ( 0.1184210 0.3815789 0.1184210), wk = 0.0029070
k( 244) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0029070
k( 245) = ( 0.1315790 0.3684210 0.1315790), wk = 0.0029070
k( 246) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0029070
k( 247) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0029070
k( 248) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0029070
k( 249) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0029070
k( 250) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0029070
k( 251) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0029070
k( 252) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0029070
k( 253) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0029070
k( 254) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0029070
k( 255) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0029070
k( 256) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0029070
k( 257) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0029070
k( 258) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0029070
k( 259) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0029070
k( 260) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0029070
k( 261) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0029070
k( 262) = ( 0.2434210 0.2565789 0.2434211), wk = 0.0029070
k( 263) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029070
k( 264) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029070
k( 265) = ( 0.2647059 0.2647059 0.2309848), wk = 0.0029070
k( 266) = ( 0.2794118 0.2794118 0.2119696), wk = 0.0029070
k( 267) = ( 0.2941177 0.2941177 0.1929543), wk = 0.0029070
k( 268) = ( 0.3088235 0.3088235 0.1739391), wk = 0.0029070
k( 269) = ( 0.3235294 0.3235294 0.1549239), wk = 0.0029070
k( 270) = ( 0.3382353 0.3382353 0.1359087), wk = 0.0029070
k( 271) = ( 0.3529412 0.3529412 0.1168935), wk = 0.0029070
k( 272) = ( 0.3676471 0.3676471 0.0978782), wk = 0.0029070
k( 273) = ( 0.3823529 0.3823529 0.0788630), wk = 0.0029070
k( 274) = ( 0.3970588 0.3970588 0.0598478), wk = 0.0029070
k( 275) = ( 0.4117647 0.4117647 0.0408326), wk = 0.0029070
k( 276) = ( 0.4264706 0.4264706 0.0218173), wk = 0.0029070
k( 277) = ( 0.4411765 0.4411765 0.0028021), wk = 0.0029070
k( 278) = ( 0.4558823 0.4558823 -0.0162131), wk = 0.0029070
k( 279) = ( 0.4705882 0.4705882 -0.0352283), wk = 0.0029070
k( 280) = ( 0.4852941 0.4852941 -0.0542435), wk = 0.0029070
k( 281) = ( 0.5000000 0.5000000 -0.0732588), wk = 0.0029070
k( 282) = ( 0.5000000 0.5000000 -0.0732588), wk = 0.0029070
k( 283) = ( 0.5000000 0.5000000 -0.0825357), wk = 0.0029070
k( 284) = ( 0.5000000 0.5000000 -0.0918127), wk = 0.0029070
k( 285) = ( 0.5000000 0.5000000 -0.1010897), wk = 0.0029070
k( 286) = ( 0.5000000 0.5000000 -0.1103667), wk = 0.0029070
k( 287) = ( 0.5000000 0.5000000 -0.1196437), wk = 0.0029070
k( 288) = ( 0.5000000 0.5000000 -0.1289207), wk = 0.0029070
k( 289) = ( 0.5000000 0.5000000 -0.1381976), wk = 0.0029070
k( 290) = ( 0.5000000 0.5000000 -0.1474746), wk = 0.0029070
k( 291) = ( 0.5000000 0.5000000 -0.1567516), wk = 0.0029070
k( 292) = ( 0.5000000 0.5000000 -0.1660286), wk = 0.0029070
k( 293) = ( 0.5000000 0.5000000 -0.1753056), wk = 0.0029070
k( 294) = ( 0.5000000 0.5000000 -0.1845826), wk = 0.0029070
k( 295) = ( 0.5000000 0.5000000 -0.1938595), wk = 0.0029070
k( 296) = ( 0.5000000 0.5000000 -0.2031365), wk = 0.0029070
k( 297) = ( 0.5000000 0.5000000 -0.2124135), wk = 0.0029070
k( 298) = ( 0.5000000 0.5000000 -0.2216905), wk = 0.0029070
k( 299) = ( 0.5000000 0.5000000 -0.2309675), wk = 0.0029070
k( 300) = ( 0.5000000 0.5000000 -0.2402445), wk = 0.0029070
k( 301) = ( 0.5000000 0.5000000 -0.2495215), wk = 0.0029070
k( 302) = ( 0.5000000 0.5000000 -0.2587984), wk = 0.0029070
k( 303) = ( 0.5000000 0.5000000 -0.2680754), wk = 0.0029070
k( 304) = ( 0.5000000 0.5000000 -0.2773524), wk = 0.0029070
k( 305) = ( 0.5000000 0.5000000 -0.2866294), wk = 0.0029070
k( 306) = ( 0.5000000 0.5000000 -0.2959064), wk = 0.0029070
k( 307) = ( 0.5000000 0.5000000 -0.3051834), wk = 0.0029070
k( 308) = ( 0.5000000 0.5000000 -0.3144603), wk = 0.0029070
k( 309) = ( 0.5000000 0.5000000 -0.3237373), wk = 0.0029070
k( 310) = ( 0.5000000 0.5000000 -0.3330143), wk = 0.0029070
k( 311) = ( 0.5000000 0.5000000 -0.3422913), wk = 0.0029070
k( 312) = ( 0.5000000 0.5000000 -0.3515683), wk = 0.0029070
k( 313) = ( 0.5000000 0.5000000 -0.3608453), wk = 0.0029070
k( 314) = ( 0.5000000 0.5000000 -0.3701222), wk = 0.0029070
k( 315) = ( 0.5000000 0.5000000 -0.3793992), wk = 0.0029070
k( 316) = ( 0.5000000 0.5000000 -0.3886762), wk = 0.0029070
k( 317) = ( 0.5000000 0.5000000 -0.3979532), wk = 0.0029070
k( 318) = ( 0.5000000 0.5000000 -0.4072302), wk = 0.0029070
k( 319) = ( 0.5000000 0.5000000 -0.4165071), wk = 0.0029070
k( 320) = ( 0.5000000 0.5000000 -0.4257841), wk = 0.0029070
k( 321) = ( 0.5000000 0.5000000 -0.4350611), wk = 0.0029070
k( 322) = ( 0.5000000 0.5000000 -0.4443381), wk = 0.0029070
k( 323) = ( 0.5000000 0.5000000 -0.4536151), wk = 0.0029070
k( 324) = ( 0.5000000 0.5000000 -0.4628921), wk = 0.0029070
k( 325) = ( 0.5000000 0.5000000 -0.4721690), wk = 0.0029070
k( 326) = ( 0.5000000 0.5000000 -0.4814460), wk = 0.0029070
k( 327) = ( 0.5000000 0.5000000 -0.4907230), wk = 0.0029070
k( 328) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029070
k( 329) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070
k( 330) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0029070
k( 331) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0029070
k( 332) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0029070
k( 333) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0029070
k( 334) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0029070
k( 335) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0029070
k( 336) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0029070
k( 337) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0029070
k( 338) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0029070
k( 339) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029070
k( 340) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0029070
k( 341) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0029070
k( 342) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0029070
k( 343) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0029070
k( 344) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029070
Dense grid: 61091 G-vectors FFT dimensions: ( 72, 72, 72)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.39 Mb ( 440, 58)
NL pseudopotentials 0.44 Mb ( 220, 130)
Each V/rho on FFT grid 0.16 Mb ( 10368)
Each G-vector array 0.01 Mb ( 1698)
G-vector shells 0.01 Mb ( 789)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 1.56 Mb ( 440, 232)
Each subspace H/S matrix 0.05 Mb ( 58, 58)
Each <psi_i|beta_j> matrix 0.23 Mb ( 130, 2, 58)
The potential is recalculated from file :
./CaxMnGex2.save/charge-density.dat
Starting wfc are 72 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 4.1 secs
Computing kpt #: 2
total cpu time spent up to now is 5.5 secs
Computing kpt #: 3
total cpu time spent up to now is 6.9 secs
Computing kpt #: 4
total cpu time spent up to now is 8.3 secs
Computing kpt #: 5
total cpu time spent up to now is 9.5 secs
Computing kpt #: 6
total cpu time spent up to now is 10.6 secs
Computing kpt #: 7
total cpu time spent up to now is 11.8 secs
Computing kpt #: 8
total cpu time spent up to now is 13.0 secs
Computing kpt #: 9
total cpu time spent up to now is 14.0 secs
Computing kpt #: 10
total cpu time spent up to now is 15.0 secs
Computing kpt #: 11
total cpu time spent up to now is 16.0 secs
Computing kpt #: 12
total cpu time spent up to now is 17.0 secs
Computing kpt #: 13
total cpu time spent up to now is 18.0 secs
Computing kpt #: 14
total cpu time spent up to now is 19.0 secs
Computing kpt #: 15
total cpu time spent up to now is 20.0 secs
Computing kpt #: 16
total cpu time spent up to now is 20.9 secs
Computing kpt #: 17
total cpu time spent up to now is 21.9 secs
Computing kpt #: 18
total cpu time spent up to now is 22.9 secs
Computing kpt #: 19
total cpu time spent up to now is 23.8 secs
Computing kpt #: 20
total cpu time spent up to now is 24.8 secs
Computing kpt #: 21
total cpu time spent up to now is 25.7 secs
Computing kpt #: 22
total cpu time spent up to now is 26.7 secs
Computing kpt #: 23
total cpu time spent up to now is 27.6 secs
Computing kpt #: 24
total cpu time spent up to now is 28.6 secs
Computing kpt #: 25
total cpu time spent up to now is 29.5 secs
Computing kpt #: 26
total cpu time spent up to now is 30.5 secs
Computing kpt #: 27
total cpu time spent up to now is 31.4 secs
Computing kpt #: 28
total cpu time spent up to now is 32.4 secs
Computing kpt #: 29
total cpu time spent up to now is 33.3 secs
Computing kpt #: 30
total cpu time spent up to now is 34.2 secs
Computing kpt #: 31
total cpu time spent up to now is 35.2 secs
Computing kpt #: 32
total cpu time spent up to now is 36.1 secs
Computing kpt #: 33
total cpu time spent up to now is 37.1 secs
Computing kpt #: 34
total cpu time spent up to now is 38.0 secs
Computing kpt #: 35
total cpu time spent up to now is 39.0 secs
Computing kpt #: 36
total cpu time spent up to now is 39.9 secs
Computing kpt #: 37
total cpu time spent up to now is 40.8 secs
Computing kpt #: 38
total cpu time spent up to now is 41.8 secs
Computing kpt #: 39
total cpu time spent up to now is 42.7 secs
Computing kpt #: 40
total cpu time spent up to now is 43.6 secs
Computing kpt #: 41
total cpu time spent up to now is 44.6 secs
Computing kpt #: 42
total cpu time spent up to now is 45.5 secs
Computing kpt #: 43
total cpu time spent up to now is 46.4 secs
Computing kpt #: 44
total cpu time spent up to now is 47.4 secs
Computing kpt #: 45
total cpu time spent up to now is 48.3 secs
Computing kpt #: 46
total cpu time spent up to now is 49.3 secs
Computing kpt #: 47
total cpu time spent up to now is 50.2 secs
Computing kpt #: 48
total cpu time spent up to now is 51.1 secs
Computing kpt #: 49
total cpu time spent up to now is 52.1 secs
Computing kpt #: 50
total cpu time spent up to now is 53.0 secs
Computing kpt #: 51
total cpu time spent up to now is 53.9 secs
Computing kpt #: 52
total cpu time spent up to now is 54.9 secs
Computing kpt #: 53
total cpu time spent up to now is 55.8 secs
Computing kpt #: 54
total cpu time spent up to now is 56.7 secs
Computing kpt #: 55
total cpu time spent up to now is 57.6 secs
Computing kpt #: 56
total cpu time spent up to now is 58.5 secs
Computing kpt #: 57
total cpu time spent up to now is 59.4 secs
Computing kpt #: 58
total cpu time spent up to now is 60.3 secs
Computing kpt #: 59
total cpu time spent up to now is 61.3 secs
Computing kpt #: 60
total cpu time spent up to now is 62.2 secs
Computing kpt #: 61
total cpu time spent up to now is 63.1 secs
Computing kpt #: 62
total cpu time spent up to now is 64.1 secs
Computing kpt #: 63
total cpu time spent up to now is 65.0 secs
Computing kpt #: 64
total cpu time spent up to now is 66.0 secs
Computing kpt #: 65
total cpu time spent up to now is 66.9 secs
Computing kpt #: 66
total cpu time spent up to now is 67.9 secs
Computing kpt #: 67
total cpu time spent up to now is 68.8 secs
Computing kpt #: 68
total cpu time spent up to now is 69.8 secs
Computing kpt #: 69
total cpu time spent up to now is 70.7 secs
Computing kpt #: 70
total cpu time spent up to now is 71.7 secs
Computing kpt #: 71
total cpu time spent up to now is 72.7 secs
Computing kpt #: 72
total cpu time spent up to now is 73.7 secs
Computing kpt #: 73
total cpu time spent up to now is 74.6 secs
Computing kpt #: 74
total cpu time spent up to now is 75.6 secs
Computing kpt #: 75
total cpu time spent up to now is 76.6 secs
Computing kpt #: 76
total cpu time spent up to now is 77.5 secs
Computing kpt #: 77
total cpu time spent up to now is 78.5 secs
Computing kpt #: 78
total cpu time spent up to now is 79.5 secs
Computing kpt #: 79
total cpu time spent up to now is 80.5 secs
Computing kpt #: 80
total cpu time spent up to now is 81.4 secs
Computing kpt #: 81
total cpu time spent up to now is 82.4 secs
Computing kpt #: 82
total cpu time spent up to now is 83.4 secs
Computing kpt #: 83
total cpu time spent up to now is 84.6 secs
Computing kpt #: 84
total cpu time spent up to now is 85.7 secs
Computing kpt #: 85
total cpu time spent up to now is 86.9 secs
Computing kpt #: 86
total cpu time spent up to now is 88.1 secs
Computing kpt #: 87
total cpu time spent up to now is 89.2 secs
Computing kpt #: 88
total cpu time spent up to now is 90.4 secs
Computing kpt #: 89
total cpu time spent up to now is 91.5 secs
Computing kpt #: 90
total cpu time spent up to now is 92.8 secs
Computing kpt #: 91
total cpu time spent up to now is 94.1 secs
Computing kpt #: 92
total cpu time spent up to now is 95.6 secs
Computing kpt #: 93
total cpu time spent up to now is 97.3 secs
Computing kpt #: 94
total cpu time spent up to now is 98.8 secs
Computing kpt #: 95
total cpu time spent up to now is 100.3 secs
Computing kpt #: 96
total cpu time spent up to now is 101.8 secs
Computing kpt #: 97
total cpu time spent up to now is 103.1 secs
Computing kpt #: 98
total cpu time spent up to now is 104.3 secs
Computing kpt #: 99
total cpu time spent up to now is 105.6 secs
Computing kpt #: 100
total cpu time spent up to now is 107.1 secs
Computing kpt #: 101
total cpu time spent up to now is 108.6 secs
Computing kpt #: 102
total cpu time spent up to now is 110.3 secs
Computing kpt #: 103
total cpu time spent up to now is 111.8 secs
Computing kpt #: 104
total cpu time spent up to now is 113.1 secs
Computing kpt #: 105
total cpu time spent up to now is 114.4 secs
Computing kpt #: 106
total cpu time spent up to now is 115.6 secs
Computing kpt #: 107
total cpu time spent up to now is 116.8 secs
Computing kpt #: 108
total cpu time spent up to now is 118.0 secs
Computing kpt #: 109
total cpu time spent up to now is 119.1 secs
Computing kpt #: 110
total cpu time spent up to now is 120.2 secs
Computing kpt #: 111
total cpu time spent up to now is 121.4 secs
Computing kpt #: 112
total cpu time spent up to now is 122.6 secs
Computing kpt #: 113
total cpu time spent up to now is 123.7 secs
Computing kpt #: 114
total cpu time spent up to now is 124.8 secs
Computing kpt #: 115
total cpu time spent up to now is 125.8 secs
Computing kpt #: 116
total cpu time spent up to now is 126.8 secs
Computing kpt #: 117
total cpu time spent up to now is 127.7 secs
Computing kpt #: 118
total cpu time spent up to now is 128.7 secs
Computing kpt #: 119
total cpu time spent up to now is 129.7 secs
Computing kpt #: 120
total cpu time spent up to now is 130.6 secs
Computing kpt #: 121
total cpu time spent up to now is 131.6 secs
Computing kpt #: 122
total cpu time spent up to now is 132.6 secs
Computing kpt #: 123
total cpu time spent up to now is 133.5 secs
Computing kpt #: 124
total cpu time spent up to now is 134.5 secs
Computing kpt #: 125
total cpu time spent up to now is 135.5 secs
Computing kpt #: 126
total cpu time spent up to now is 136.4 secs
Computing kpt #: 127
total cpu time spent up to now is 137.4 secs
Computing kpt #: 128
total cpu time spent up to now is 138.4 secs
Computing kpt #: 129
total cpu time spent up to now is 139.4 secs
Computing kpt #: 130
total cpu time spent up to now is 140.4 secs
Computing kpt #: 131
total cpu time spent up to now is 141.4 secs
Computing kpt #: 132
total cpu time spent up to now is 142.4 secs
Computing kpt #: 133
total cpu time spent up to now is 143.6 secs
Computing kpt #: 134
total cpu time spent up to now is 144.7 secs
Computing kpt #: 135
total cpu time spent up to now is 145.9 secs
Computing kpt #: 136
total cpu time spent up to now is 147.1 secs
Computing kpt #: 137
total cpu time spent up to now is 148.3 secs
Computing kpt #: 138
total cpu time spent up to now is 149.7 secs
Computing kpt #: 139
total cpu time spent up to now is 151.2 secs
Computing kpt #: 140
total cpu time spent up to now is 152.8 secs
Computing kpt #: 141
total cpu time spent up to now is 154.3 secs
Computing kpt #: 142
total cpu time spent up to now is 155.7 secs
Computing kpt #: 143
total cpu time spent up to now is 156.7 secs
Computing kpt #: 144
total cpu time spent up to now is 157.7 secs
Computing kpt #: 145
total cpu time spent up to now is 158.6 secs
Computing kpt #: 146
total cpu time spent up to now is 159.8 secs
Computing kpt #: 147
total cpu time spent up to now is 161.0 secs
Computing kpt #: 148
total cpu time spent up to now is 162.1 secs
Computing kpt #: 149
total cpu time spent up to now is 163.4 secs
Computing kpt #: 150
total cpu time spent up to now is 164.7 secs
Computing kpt #: 151
total cpu time spent up to now is 165.9 secs
Computing kpt #: 152
total cpu time spent up to now is 167.5 secs
Computing kpt #: 153
total cpu time spent up to now is 169.0 secs
Computing kpt #: 154
total cpu time spent up to now is 170.7 secs
Computing kpt #: 155
total cpu time spent up to now is 171.8 secs
Computing kpt #: 156
total cpu time spent up to now is 173.0 secs
Computing kpt #: 157
total cpu time spent up to now is 174.6 secs
Computing kpt #: 158
total cpu time spent up to now is 176.2 secs
Computing kpt #: 159
total cpu time spent up to now is 178.7 secs
Computing kpt #: 160
total cpu time spent up to now is 180.2 secs
Computing kpt #: 161
total cpu time spent up to now is 181.7 secs
Computing kpt #: 162
total cpu time spent up to now is 183.2 secs
Computing kpt #: 163
total cpu time spent up to now is 184.7 secs
Computing kpt #: 164
total cpu time spent up to now is 186.6 secs
Computing kpt #: 165
total cpu time spent up to now is 189.1 secs
Computing kpt #: 166
total cpu time spent up to now is 190.6 secs
Computing kpt #: 167
total cpu time spent up to now is 191.5 secs
Computing kpt #: 168
total cpu time spent up to now is 192.5 secs
Computing kpt #: 169
total cpu time spent up to now is 193.5 secs
Computing kpt #: 170
total cpu time spent up to now is 194.5 secs
Computing kpt #: 171
total cpu time spent up to now is 195.4 secs
Computing kpt #: 172
total cpu time spent up to now is 196.4 secs
Computing kpt #: 173
total cpu time spent up to now is 197.3 secs
Computing kpt #: 174
total cpu time spent up to now is 198.3 secs
Computing kpt #: 175
total cpu time spent up to now is 199.2 secs
Computing kpt #: 176
total cpu time spent up to now is 200.2 secs
Computing kpt #: 177
total cpu time spent up to now is 201.2 secs
Computing kpt #: 178
total cpu time spent up to now is 202.1 secs
Computing kpt #: 179
total cpu time spent up to now is 203.1 secs
Computing kpt #: 180
total cpu time spent up to now is 204.3 secs
Computing kpt #: 181
total cpu time spent up to now is 205.2 secs
Computing kpt #: 182
total cpu time spent up to now is 206.4 secs
Computing kpt #: 183
total cpu time spent up to now is 207.6 secs
Computing kpt #: 184
total cpu time spent up to now is 208.8 secs
Computing kpt #: 185
total cpu time spent up to now is 209.9 secs
Computing kpt #: 186
total cpu time spent up to now is 211.1 secs
Computing kpt #: 187
total cpu time spent up to now is 212.3 secs
Computing kpt #: 188
total cpu time spent up to now is 213.5 secs
Computing kpt #: 189
total cpu time spent up to now is 214.6 secs
Computing kpt #: 190
total cpu time spent up to now is 215.8 secs
Computing kpt #: 191
total cpu time spent up to now is 217.0 secs
Computing kpt #: 192
total cpu time spent up to now is 218.2 secs
Computing kpt #: 193
total cpu time spent up to now is 219.3 secs
Computing kpt #: 194
total cpu time spent up to now is 220.5 secs
Computing kpt #: 195
total cpu time spent up to now is 221.7 secs
Computing kpt #: 196
total cpu time spent up to now is 222.9 secs
Computing kpt #: 197
total cpu time spent up to now is 224.2 secs
Computing kpt #: 198
total cpu time spent up to now is 225.5 secs
Computing kpt #: 199
total cpu time spent up to now is 226.7 secs
Computing kpt #: 200
total cpu time spent up to now is 228.0 secs
Computing kpt #: 201
total cpu time spent up to now is 229.2 secs
Computing kpt #: 202
total cpu time spent up to now is 230.5 secs
Computing kpt #: 203
total cpu time spent up to now is 231.7 secs
Computing kpt #: 204
total cpu time spent up to now is 233.0 secs
Computing kpt #: 205
total cpu time spent up to now is 234.3 secs
Computing kpt #: 206
total cpu time spent up to now is 235.5 secs
Computing kpt #: 207
total cpu time spent up to now is 236.8 secs
Computing kpt #: 208
total cpu time spent up to now is 238.1 secs
Computing kpt #: 209
total cpu time spent up to now is 239.4 secs
Computing kpt #: 210
total cpu time spent up to now is 240.9 secs
Computing kpt #: 211
total cpu time spent up to now is 242.4 secs
Computing kpt #: 212
total cpu time spent up to now is 243.9 secs
Computing kpt #: 213
total cpu time spent up to now is 245.4 secs
Computing kpt #: 214
total cpu time spent up to now is 246.7 secs
Computing kpt #: 215
total cpu time spent up to now is 248.1 secs
Computing kpt #: 216
total cpu time spent up to now is 249.4 secs
Computing kpt #: 217
total cpu time spent up to now is 250.7 secs
Computing kpt #: 218
total cpu time spent up to now is 252.1 secs
Computing kpt #: 219
total cpu time spent up to now is 253.4 secs
Computing kpt #: 220
total cpu time spent up to now is 254.7 secs
Computing kpt #: 221
total cpu time spent up to now is 256.0 secs
Computing kpt #: 222
total cpu time spent up to now is 257.3 secs
Computing kpt #: 223
total cpu time spent up to now is 258.3 secs
Computing kpt #: 224
total cpu time spent up to now is 259.3 secs
Computing kpt #: 225
total cpu time spent up to now is 260.2 secs
Computing kpt #: 226
total cpu time spent up to now is 261.4 secs
Computing kpt #: 227
total cpu time spent up to now is 262.7 secs
Computing kpt #: 228
total cpu time spent up to now is 264.0 secs
Computing kpt #: 229
total cpu time spent up to now is 265.3 secs
Computing kpt #: 230
total cpu time spent up to now is 266.6 secs
Computing kpt #: 231
total cpu time spent up to now is 267.9 secs
Computing kpt #: 232
total cpu time spent up to now is 269.2 secs
Computing kpt #: 233
total cpu time spent up to now is 270.7 secs
Computing kpt #: 234
total cpu time spent up to now is 272.2 secs
Computing kpt #: 235
total cpu time spent up to now is 273.8 secs
Computing kpt #: 236
total cpu time spent up to now is 275.2 secs
Computing kpt #: 237
total cpu time spent up to now is 276.6 secs
Computing kpt #: 238
total cpu time spent up to now is 277.9 secs
Computing kpt #: 239
total cpu time spent up to now is 279.2 secs
Computing kpt #: 240
total cpu time spent up to now is 280.7 secs
Computing kpt #: 241
total cpu time spent up to now is 282.3 secs
Computing kpt #: 242
total cpu time spent up to now is 283.5 secs
Computing kpt #: 243
total cpu time spent up to now is 284.7 secs
Computing kpt #: 244
total cpu time spent up to now is 285.9 secs
Computing kpt #: 245
total cpu time spent up to now is 287.0 secs
Computing kpt #: 246
total cpu time spent up to now is 288.0 secs
Computing kpt #: 247
total cpu time spent up to now is 289.0 secs
Computing kpt #: 248
total cpu time spent up to now is 289.9 secs
Computing kpt #: 249
total cpu time spent up to now is 290.9 secs
Computing kpt #: 250
total cpu time spent up to now is 291.8 secs
Computing kpt #: 251
total cpu time spent up to now is 292.8 secs
Computing kpt #: 252
total cpu time spent up to now is 293.7 secs
Computing kpt #: 253
total cpu time spent up to now is 294.7 secs
Computing kpt #: 254
total cpu time spent up to now is 295.6 secs
Computing kpt #: 255
total cpu time spent up to now is 296.5 secs
Computing kpt #: 256
total cpu time spent up to now is 297.5 secs
Computing kpt #: 257
total cpu time spent up to now is 298.4 secs
Computing kpt #: 258
total cpu time spent up to now is 299.3 secs
Computing kpt #: 259
total cpu time spent up to now is 300.3 secs
Computing kpt #: 260
total cpu time spent up to now is 301.2 secs
Computing kpt #: 261
total cpu time spent up to now is 302.1 secs
Computing kpt #: 262
total cpu time spent up to now is 303.1 secs
Computing kpt #: 263
total cpu time spent up to now is 304.0 secs
Computing kpt #: 264
total cpu time spent up to now is 305.0 secs
Computing kpt #: 265
total cpu time spent up to now is 305.9 secs
Computing kpt #: 266
total cpu time spent up to now is 306.9 secs
Computing kpt #: 267
total cpu time spent up to now is 307.8 secs
Computing kpt #: 268
total cpu time spent up to now is 308.8 secs
Computing kpt #: 269
total cpu time spent up to now is 309.7 secs
Computing kpt #: 270
total cpu time spent up to now is 310.6 secs
Computing kpt #: 271
total cpu time spent up to now is 311.6 secs
Computing kpt #: 272
total cpu time spent up to now is 312.5 secs
Computing kpt #: 273
total cpu time spent up to now is 313.4 secs
Computing kpt #: 274
total cpu time spent up to now is 314.4 secs
Computing kpt #: 275
total cpu time spent up to now is 315.3 secs
Computing kpt #: 276
total cpu time spent up to now is 316.2 secs
Computing kpt #: 277
total cpu time spent up to now is 317.1 secs
Computing kpt #: 278
total cpu time spent up to now is 318.1 secs
Computing kpt #: 279
total cpu time spent up to now is 319.0 secs
Computing kpt #: 280
total cpu time spent up to now is 320.0 secs
Computing kpt #: 281
total cpu time spent up to now is 320.9 secs
Computing kpt #: 282
total cpu time spent up to now is 321.9 secs
Computing kpt #: 283
total cpu time spent up to now is 322.8 secs
Computing kpt #: 284
total cpu time spent up to now is 323.8 secs
Computing kpt #: 285
total cpu time spent up to now is 324.7 secs
Computing kpt #: 286
total cpu time spent up to now is 325.7 secs
Computing kpt #: 287
total cpu time spent up to now is 326.6 secs
Computing kpt #: 288
total cpu time spent up to now is 327.6 secs
Computing kpt #: 289
total cpu time spent up to now is 328.6 secs
Computing kpt #: 290
total cpu time spent up to now is 329.6 secs
Computing kpt #: 291
total cpu time spent up to now is 330.5 secs
Computing kpt #: 292
total cpu time spent up to now is 331.5 secs
Computing kpt #: 293
total cpu time spent up to now is 332.5 secs
Computing kpt #: 294
total cpu time spent up to now is 333.4 secs
Computing kpt #: 295
total cpu time spent up to now is 334.4 secs
Computing kpt #: 296
total cpu time spent up to now is 335.4 secs
Computing kpt #: 297
total cpu time spent up to now is 336.4 secs
Computing kpt #: 298
total cpu time spent up to now is 337.3 secs
Computing kpt #: 299
total cpu time spent up to now is 338.3 secs
Computing kpt #: 300
total cpu time spent up to now is 339.3 secs
Computing kpt #: 301
total cpu time spent up to now is 340.3 secs
Computing kpt #: 302
total cpu time spent up to now is 341.2 secs
Computing kpt #: 303
total cpu time spent up to now is 342.2 secs
Computing kpt #: 304
total cpu time spent up to now is 343.1 secs
Computing kpt #: 305
total cpu time spent up to now is 344.1 secs
Computing kpt #: 306
total cpu time spent up to now is 345.0 secs
Computing kpt #: 307
total cpu time spent up to now is 346.0 secs
Computing kpt #: 308
total cpu time spent up to now is 347.0 secs
Computing kpt #: 309
total cpu time spent up to now is 347.9 secs
Computing kpt #: 310
total cpu time spent up to now is 348.9 secs
Computing kpt #: 311
total cpu time spent up to now is 350.1 secs
Computing kpt #: 312
total cpu time spent up to now is 351.2 secs
Computing kpt #: 313
total cpu time spent up to now is 352.4 secs
Computing kpt #: 314
total cpu time spent up to now is 354.5 secs
Computing kpt #: 315
total cpu time spent up to now is 356.1 secs
Computing kpt #: 316
total cpu time spent up to now is 357.6 secs
Computing kpt #: 317
total cpu time spent up to now is 358.8 secs
Computing kpt #: 318
total cpu time spent up to now is 360.0 secs
Computing kpt #: 319
total cpu time spent up to now is 361.1 secs
Computing kpt #: 320
total cpu time spent up to now is 362.3 secs
Computing kpt #: 321
total cpu time spent up to now is 363.5 secs
Computing kpt #: 322
total cpu time spent up to now is 364.6 secs
Computing kpt #: 323
total cpu time spent up to now is 365.6 secs
Computing kpt #: 324
total cpu time spent up to now is 366.5 secs
Computing kpt #: 325
total cpu time spent up to now is 367.5 secs
Computing kpt #: 326
total cpu time spent up to now is 368.5 secs
Computing kpt #: 327
total cpu time spent up to now is 369.4 secs
Computing kpt #: 328
total cpu time spent up to now is 370.4 secs
Computing kpt #: 329
total cpu time spent up to now is 371.3 secs
Computing kpt #: 330
total cpu time spent up to now is 372.2 secs
Computing kpt #: 331
total cpu time spent up to now is 373.1 secs
Computing kpt #: 332
total cpu time spent up to now is 374.0 secs
Computing kpt #: 333
total cpu time spent up to now is 374.9 secs
Computing kpt #: 334
total cpu time spent up to now is 375.9 secs
Computing kpt #: 335
total cpu time spent up to now is 376.8 secs
Computing kpt #: 336
total cpu time spent up to now is 377.7 secs
Computing kpt #: 337
total cpu time spent up to now is 378.7 secs
Computing kpt #: 338
total cpu time spent up to now is 379.6 secs
Computing kpt #: 339
total cpu time spent up to now is 380.5 secs
Computing kpt #: 340
total cpu time spent up to now is 381.5 secs
Computing kpt #: 341
total cpu time spent up to now is 382.4 secs
Computing kpt #: 342
total cpu time spent up to now is 383.4 secs
Computing kpt #: 343
total cpu time spent up to now is 384.3 secs
Computing kpt #: 344
total cpu time spent up to now is 385.3 secs
ethr = 2.08E-08, avg # of iterations = 22.9
total cpu time spent up to now is 385.3 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 7605 PWs) bands (ev):
-68.7191 -68.7191 -68.7043 -68.7043 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2636 -37.2636 -37.2566 -37.2566 -37.2459 -37.2459
-31.0662 -31.0662 -12.3396 -12.3396 -11.9864 -11.9864 -11.9278 -11.9278
-0.7269 -0.7269 2.6123 2.6123 4.9955 4.9955 7.3618 7.3618
7.4068 7.4068 7.7973 7.7973 8.1328 8.1328 8.8585 8.8585
8.9303 8.9303 9.3203 9.3203 9.5074 9.5074 10.1440 10.1440
10.1520 10.1520 10.1991 10.1991 10.7372 10.7372 10.8778 10.8778
11.9562 11.9562
k = 0.0000 0.0000 0.0195 ( 7625 PWs) bands (ev):
-68.7212 -68.7212 -68.7048 -68.7048 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2460 -37.2460
-31.0662 -31.0662 -12.3397 -12.3397 -11.9865 -11.9865 -11.9279 -11.9279
-0.7259 -0.7259 2.6120 2.6120 4.9958 4.9958 7.3605 7.3605
7.4059 7.4059 7.7944 7.7944 8.1326 8.1326 8.8536 8.8536
8.9255 8.9255 9.3138 9.3138 9.5047 9.5047 10.1352 10.1352
10.1455 10.1455 10.1915 10.1915 10.7403 10.7403 10.8732 10.8732
11.9541 11.9541
k = 0.0000 0.0000 0.0389 ( 7629 PWs) bands (ev):
-68.7212 -68.7212 -68.7054 -68.7054 -38.5014 -38.5014 -38.4619 -38.4619
-37.3336 -37.3336 -37.2638 -37.2638 -37.2566 -37.2566 -37.2460 -37.2460
-31.0661 -31.0661 -12.3397 -12.3397 -11.9866 -11.9866 -11.9279 -11.9279
-0.7226 -0.7226 2.6120 2.6120 5.0000 5.0000 7.3552 7.3552
7.4025 7.4025 7.7955 7.7955 8.1330 8.1330 8.8469 8.8469
8.9203 8.9203 9.3173 9.3173 9.5032 9.5032 10.1288 10.1288
10.1406 10.1406 10.1859 10.1859 10.7425 10.7425 10.8598 10.8598
11.9374 11.9374
k = 0.0000 0.0000 0.0584 ( 7617 PWs) bands (ev):
-68.7201 -68.7201 -68.7049 -68.7049 -38.5013 -38.5013 -38.4619 -38.4619
-37.3334 -37.3334 -37.2639 -37.2639 -37.2565 -37.2565 -37.2460 -37.2460
-31.0661 -31.0661 -12.3399 -12.3399 -11.9868 -11.9868 -11.9279 -11.9279
-0.7171 -0.7171 2.6121 2.6121 5.0065 5.0065 7.3449 7.3449
7.3986 7.3986 7.7992 7.7992 8.1372 8.1372 8.8340 8.8340
8.9144 8.9144 9.3235 9.3235 9.5062 9.5062 10.1241 10.1241
10.1354 10.1354 10.1815 10.1815 10.7605 10.7605 10.8388 10.8388
11.8997 11.8997
k = 0.0000 0.0000 0.0778 ( 7621 PWs) bands (ev):
-68.7196 -68.7196 -68.7060 -68.7060 -38.5012 -38.5012 -38.4621 -38.4621
-37.3333 -37.3333 -37.2641 -37.2641 -37.2565 -37.2565 -37.2461 -37.2461
-31.0661 -31.0661 -12.3401 -12.3401 -11.9871 -11.9871 -11.9279 -11.9279
-0.7095 -0.7095 2.6121 2.6121 5.0150 5.0150 7.3275 7.3275
7.3912 7.3912 7.8020 7.8020 8.1409 8.1409 8.8120 8.8120
8.9108 8.9108 9.3255 9.3255 9.5074 9.5074 10.1106 10.1106
10.1311 10.1311 10.1755 10.1755 10.7746 10.7746 10.8112 10.8112
11.8464 11.8464
k = 0.0000 0.0000 0.0973 ( 7633 PWs) bands (ev):
-68.7195 -68.7195 -68.7076 -68.7076 -38.5010 -38.5010 -38.4622 -38.4622
-37.3331 -37.3331 -37.2643 -37.2643 -37.2565 -37.2565 -37.2461 -37.2461
-31.0661 -31.0661 -12.3403 -12.3403 -11.9875 -11.9875 -11.9279 -11.9279
-0.6997 -0.6997 2.6121 2.6121 5.0255 5.0255 7.3040 7.3040
7.3848 7.3848 7.8045 7.8045 8.1476 8.1476 8.7804 8.7804
8.9080 8.9080 9.3256 9.3256 9.5075 9.5075 10.0913 10.0913
10.1225 10.1225 10.1654 10.1654 10.7763 10.7763 10.7902 10.7902
11.7831 11.7831
k = 0.0000 0.0000 0.1167 ( 7633 PWs) bands (ev):
-68.7195 -68.7195 -68.7076 -68.7076 -38.5009 -38.5009 -38.4624 -38.4624
-37.3328 -37.3328 -37.2647 -37.2647 -37.2565 -37.2565 -37.2462 -37.2462
-31.0660 -31.0660 -12.3406 -12.3406 -11.9880 -11.9880 -11.9280 -11.9280
-0.6879 -0.6879 2.6122 2.6122 5.0381 5.0381 7.2772 7.2772
7.3818 7.3818 7.8093 7.8093 8.1556 8.1556 8.7407 8.7407
8.9070 8.9070 9.3258 9.3258 9.5091 9.5091 10.0695 10.0695
10.1124 10.1124 10.1542 10.1542 10.7415 10.7415 10.8153 10.8153
11.7175 11.7175
k = 0.0000 0.0000 0.1362 ( 7635 PWs) bands (ev):
-68.7196 -68.7196 -68.7077 -68.7077 -38.5007 -38.5007 -38.4626 -38.4626
-37.3324 -37.3324 -37.2650 -37.2650 -37.2564 -37.2564 -37.2463 -37.2463
-31.0660 -31.0660 -12.3410 -12.3410 -11.9885 -11.9885 -11.9280 -11.9280
-0.6739 -0.6739 2.6125 2.6125 5.0530 5.0530 7.2449 7.2449
7.3792 7.3792 7.8178 7.8178 8.1633 8.1633 8.6935 8.6935
8.9063 8.9063 9.3257 9.3257 9.5117 9.5117 10.0458 10.0458
10.1000 10.1000 10.1410 10.1410 10.7035 10.7035 10.8374 10.8374
11.6483 11.6483
k = 0.0000 0.0000 0.1556 ( 7635 PWs) bands (ev):
-68.7190 -68.7190 -68.7083 -68.7083 -38.5004 -38.5004 -38.4628 -38.4628
-37.3321 -37.3321 -37.2655 -37.2655 -37.2563 -37.2563 -37.2464 -37.2464
-31.0659 -31.0659 -12.3414 -12.3414 -11.9892 -11.9892 -11.9280 -11.9280
-0.6579 -0.6579 2.6129 2.6129 5.0701 5.0701 7.2082 7.2082
7.3758 7.3758 7.8262 7.8262 8.1735 8.1735 8.6407 8.6407
8.9075 8.9075 9.3269 9.3269 9.5143 9.5143 10.0225 10.0225
10.0873 10.0873 10.1278 10.1278 10.6640 10.6640 10.8588 10.8588
11.5785 11.5785
k = 0.0000 0.0000 0.1751 ( 7647 PWs) bands (ev):
-68.7199 -68.7199 -68.7090 -68.7090 -38.5002 -38.5002 -38.4631 -38.4631
-37.3316 -37.3316 -37.2660 -37.2660 -37.2563 -37.2563 -37.2465 -37.2465
-31.0658 -31.0658 -12.3419 -12.3419 -11.9899 -11.9899 -11.9281 -11.9281
-0.6400 -0.6400 2.6132 2.6132 5.0888 5.0888 7.1681 7.1681
7.3733 7.3733 7.8348 7.8348 8.1818 8.1818 8.5808 8.5808
8.9057 8.9057 9.3256 9.3256 9.5148 9.5148 9.9954 9.9954
10.0689 10.0689 10.1089 10.1089 10.6243 10.6243 10.8799 10.8799
11.5094 11.5094
k = 0.0000 0.0000 0.1945 ( 7647 PWs) bands (ev):
-68.7198 -68.7198 -68.7091 -68.7091 -38.4999 -38.4999 -38.4634 -38.4634
-37.3311 -37.3311 -37.2665 -37.2665 -37.2562 -37.2562 -37.2466 -37.2466
-31.0658 -31.0658 -12.3424 -12.3424 -11.9907 -11.9907 -11.9281 -11.9281
-0.6201 -0.6201 2.6140 2.6140 5.1094 5.1094 7.1262 7.1262
7.3697 7.3697 7.8484 7.8484 8.1935 8.1935 8.5168 8.5168
8.9070 8.9070 9.3247 9.3247 9.5166 9.5166 9.9687 9.9687
10.0527 10.0527 10.0924 10.0924 10.5845 10.5845 10.8990 10.8990
11.4436 11.4436
k = 0.0000 0.0000 0.2140 ( 7652 PWs) bands (ev):
-68.7197 -68.7197 -68.7097 -68.7097 -38.4996 -38.4996 -38.4638 -38.4638
-37.3306 -37.3306 -37.2672 -37.2672 -37.2561 -37.2561 -37.2467 -37.2467
-31.0657 -31.0657 -12.3429 -12.3429 -11.9915 -11.9915 -11.9282 -11.9282
-0.5984 -0.5984 2.6147 2.6147 5.1317 5.1317 7.0793 7.0793
7.3666 7.3666 7.8616 7.8616 8.2047 8.2047 8.4486 8.4486
8.9080 8.9080 9.3224 9.3224 9.5176 9.5176 9.9418 9.9418
10.0351 10.0351 10.0747 10.0747 10.5458 10.5458 10.9194 10.9194
11.3768 11.3768
k = 0.0000 0.0000 0.2334 ( 7664 PWs) bands (ev):
-68.7201 -68.7201 -68.7108 -68.7108 -38.4992 -38.4992 -38.4641 -38.4641
-37.3301 -37.3301 -37.2679 -37.2679 -37.2560 -37.2560 -37.2468 -37.2468
-31.0656 -31.0656 -12.3435 -12.3435 -11.9924 -11.9924 -11.9282 -11.9282
-0.5748 -0.5748 2.6155 2.6155 5.1555 5.1555 7.0310 7.0310
7.3612 7.3612 7.8750 7.8750 8.2163 8.2163 8.3770 8.3770
8.9076 8.9076 9.3197 9.3197 9.5168 9.5168 9.9146 9.9146
10.0137 10.0137 10.0533 10.0533 10.5064 10.5064 10.9387 10.9387
11.3135 11.3135
k = 0.0000 0.0000 0.2529 ( 7654 PWs) bands (ev):
-68.7202 -68.7202 -68.7094 -68.7094 -38.4988 -38.4988 -38.4645 -38.4645
-37.3294 -37.3294 -37.2687 -37.2687 -37.2558 -37.2558 -37.2468 -37.2468
-31.0655 -31.0655 -12.3442 -12.3442 -11.9934 -11.9934 -11.9283 -11.9283
-0.5496 -0.5496 2.6168 2.6168 5.1806 5.1806 6.9833 6.9833
7.3609 7.3609 7.8941 7.8941 8.2270 8.2270 8.3036 8.3036
8.9083 8.9083 9.3154 9.3154 9.5206 9.5206 9.8907 9.8907
9.9944 9.9944 10.0339 10.0339 10.4719 10.4719 10.9606 10.9606
11.2560 11.2560
k = 0.0000 0.0000 0.2723 ( 7652 PWs) bands (ev):
-68.7198 -68.7198 -68.7095 -68.7095 -38.4984 -38.4984 -38.4650 -38.4650
-37.3288 -37.3288 -37.2695 -37.2695 -37.2556 -37.2556 -37.2469 -37.2469
-31.0654 -31.0654 -12.3448 -12.3448 -11.9944 -11.9944 -11.9283 -11.9283
-0.5227 -0.5227 2.6179 2.6179 5.2067 5.2067 6.9347 6.9347
7.3584 7.3584 7.9101 7.9101 8.2220 8.2220 8.2464 8.2464
8.9084 8.9084 9.3108 9.3108 9.5174 9.5174 9.8655 9.8655
9.9751 9.9751 10.0145 10.0145 10.4380 10.4380 10.9810 10.9810
11.2021 11.2021
k = 0.0000 0.0000 0.2918 ( 7656 PWs) bands (ev):
-68.7197 -68.7197 -68.7102 -68.7102 -38.4980 -38.4980 -38.4654 -38.4654
-37.3282 -37.3282 -37.2704 -37.2704 -37.2554 -37.2554 -37.2469 -37.2469
-31.0653 -31.0653 -12.3456 -12.3456 -11.9955 -11.9955 -11.9284 -11.9284
-0.4942 -0.4942 2.6193 2.6193 5.2336 5.2336 6.8867 6.8867
7.3560 7.3560 7.9272 7.9272 8.1457 8.1457 8.2591 8.2591
8.9072 8.9072 9.3052 9.3052 9.5111 9.5111 9.8380 9.8380
9.9539 9.9539 9.9934 9.9934 10.4057 10.4057 10.9900 10.9900
11.1534 11.1534
k = 0.0000 0.0000 0.3112 ( 7650 PWs) bands (ev):
-68.7182 -68.7182 -68.7109 -68.7109 -38.4976 -38.4976 -38.4658 -38.4658
-37.3275 -37.3275 -37.2713 -37.2713 -37.2552 -37.2552 -37.2469 -37.2469
-31.0652 -31.0652 -12.3463 -12.3463 -11.9966 -11.9966 -11.9285 -11.9285
-0.4643 -0.4643 2.6206 2.6206 5.2611 5.2611 6.8389 6.8389
7.3520 7.3520 7.9420 7.9420 8.0662 8.0662 8.2750 8.2750
8.9085 8.9085 9.2976 9.2976 9.5062 9.5062 9.8200 9.8200
9.9362 9.9362 9.9758 9.9758 10.3743 10.3743 11.0064 11.0064
11.1090 11.1090
k = 0.0000 0.0000 0.3307 ( 7642 PWs) bands (ev):
-68.7176 -68.7176 -68.7106 -68.7106 -38.4972 -38.4972 -38.4663 -38.4663
-37.3268 -37.3268 -37.2723 -37.2723 -37.2550 -37.2550 -37.2469 -37.2469
-31.0651 -31.0651 -12.3471 -12.3471 -11.9978 -11.9978 -11.9285 -11.9285
-0.4330 -0.4330 2.6225 2.6225 5.2887 5.2887 6.7930 6.7930
7.3485 7.3485 7.9611 7.9611 7.9881 7.9881 8.2919 8.2919
8.9071 8.9071 9.2882 9.2882 9.4997 9.4997 9.8015 9.8015
9.9150 9.9150 9.9548 9.9548 10.3444 10.3444 11.0170 11.0170
11.0725 11.0725
k = 0.0000 0.0000 0.3501 ( 7640 PWs) bands (ev):
-68.7177 -68.7177 -68.7103 -68.7103 -38.4967 -38.4967 -38.4668 -38.4668
-37.3261 -37.3261 -37.2733 -37.2733 -37.2548 -37.2548 -37.2469 -37.2469
-31.0650 -31.0650 -12.3479 -12.3479 -11.9990 -11.9990 -11.9286 -11.9286
-0.4005 -0.4005 2.6245 2.6245 5.3160 5.3160 6.7487 6.7487
7.3446 7.3446 7.9018 7.9018 7.9874 7.9874 8.3047 8.3047
8.9038 8.9038 9.2757 9.2757 9.4920 9.4920 9.7862 9.7862
9.8920 9.8920 9.9322 9.9322 10.3154 10.3154 11.0132 11.0132
11.0544 11.0544
k = 0.0000 0.0000 0.3696 ( 7642 PWs) bands (ev):
-68.7177 -68.7177 -68.7105 -68.7105 -38.4962 -38.4962 -38.4673 -38.4673
-37.3253 -37.3253 -37.2745 -37.2745 -37.2545 -37.2545 -37.2468 -37.2468
-31.0648 -31.0648 -12.3487 -12.3487 -12.0002 -12.0002 -11.9286 -11.9286
-0.3669 -0.3669 2.6269 2.6269 5.3425 5.3425 6.7061 6.7061
7.3397 7.3397 7.8203 7.8203 8.0110 8.0110 8.3174 8.3174
8.8997 8.8997 9.2607 9.2607 9.4804 9.4804 9.7719 9.7719
9.8691 9.8691 9.9097 9.9097 10.2868 10.2868 10.9865 10.9865
11.0578 11.0578
k = 0.0000 0.0000 0.3890 ( 7644 PWs) bands (ev):
-68.7183 -68.7183 -68.7102 -68.7102 -38.4957 -38.4957 -38.4679 -38.4679
-37.3246 -37.3246 -37.2757 -37.2757 -37.2542 -37.2542 -37.2468 -37.2468
-31.0647 -31.0647 -12.3495 -12.3495 -12.0015 -12.0015 -11.9287 -11.9287
-0.3323 -0.3323 2.6294 2.6294 5.3679 5.3679 6.6681 6.6681
7.3352 7.3352 7.7384 7.7384 8.0342 8.0342 8.3281 8.3281
8.8942 8.8942 9.2439 9.2439 9.4680 9.4680 9.7605 9.7605
9.8452 9.8452 9.8862 9.8862 10.2596 10.2596 10.9590 10.9590
11.0670 11.0670
k = 0.0000 0.0000 0.4085 ( 7648 PWs) bands (ev):
-68.7181 -68.7181 -68.7109 -68.7109 -38.4952 -38.4952 -38.4685 -38.4685
-37.3238 -37.3238 -37.2769 -37.2769 -37.2539 -37.2539 -37.2467 -37.2467
-31.0646 -31.0646 -12.3504 -12.3504 -12.0028 -12.0028 -11.9287 -11.9287
-0.2968 -0.2968 2.6320 2.6320 5.3916 5.3916 6.6345 6.6345
7.3294 7.3294 7.6566 7.6566 8.0583 8.0583 8.3427 8.3427
8.8875 8.8875 9.2267 9.2267 9.4471 9.4471 9.7505 9.7505
9.8220 9.8220 9.8643 9.8643 10.2327 10.2327 10.9357 10.9357
11.0733 11.0733
k = 0.0000 0.0000 0.4279 ( 7658 PWs) bands (ev):
-68.7187 -68.7187 -68.7116 -68.7116 -38.4947 -38.4947 -38.4690 -38.4690
-37.3231 -37.3231 -37.2781 -37.2781 -37.2536 -37.2536 -37.2466 -37.2466
-31.0644 -31.0644 -12.3512 -12.3512 -12.0041 -12.0041 -11.9288 -11.9288
-0.2606 -0.2606 2.6349 2.6349 5.4130 5.4130 6.6053 6.6053
7.3231 7.3231 7.5754 7.5754 8.0825 8.0825 8.3562 8.3562
8.8789 8.8789 9.2060 9.2060 9.4251 9.4251 9.7427 9.7427
9.7966 9.7966 9.8397 9.8397 10.2049 10.2049 10.9146 10.9146
11.0803 11.0803
k = 0.0000 0.0000 0.4474 ( 7664 PWs) bands (ev):
-68.7188 -68.7188 -68.7124 -68.7124 -38.4942 -38.4942 -38.4696 -38.4696
-37.3223 -37.3223 -37.2794 -37.2794 -37.2532 -37.2532 -37.2465 -37.2465
-31.0643 -31.0643 -12.3521 -12.3521 -12.0054 -12.0054 -11.9288 -11.9288
-0.2237 -0.2237 2.6380 2.6380 5.4318 5.4318 6.5819 6.5819
7.3178 7.3178 7.4945 7.4945 8.1060 8.1060 8.3701 8.3701
8.8693 8.8693 9.1846 9.1846 9.4011 9.4011 9.7373 9.7373
9.7727 9.7727 9.8179 9.8179 10.1801 10.1801 10.8981 10.8981
11.0860 11.0860
k = 0.0000 0.0000 0.4668 ( 7668 PWs) bands (ev):
-68.7191 -68.7191 -68.7126 -68.7126 -38.4936 -38.4936 -38.4702 -38.4702
-37.3216 -37.3216 -37.2807 -37.2807 -37.2529 -37.2529 -37.2464 -37.2464
-31.0642 -31.0642 -12.3530 -12.3530 -12.0067 -12.0067 -11.9289 -11.9289
-0.1864 -0.1864 2.6414 2.6414 5.4475 5.4475 6.5647 6.5647
7.3110 7.3110 7.4151 7.4151 8.1325 8.1325 8.3827 8.3827
8.8587 8.8587 9.1619 9.1619 9.3805 9.3805 9.7299 9.7299
9.7499 9.7499 9.7974 9.7974 10.1542 10.1542 10.8855 10.8855
11.0929 11.0929
k = 0.0000 0.0000 0.4863 ( 7670 PWs) bands (ev):
-68.7192 -68.7192 -68.7128 -68.7128 -38.4931 -38.4931 -38.4708 -38.4708
-37.3209 -37.3209 -37.2820 -37.2820 -37.2525 -37.2525 -37.2463 -37.2463
-31.0640 -31.0640 -12.3539 -12.3539 -12.0080 -12.0080 -11.9289 -11.9289
-0.1488 -0.1488 2.6451 2.6451 5.4599 5.4599 6.5540 6.5540
7.3053 7.3053 7.3372 7.3372 8.1593 8.1593 8.3964 8.3964
8.8469 8.8469 9.1379 9.1379 9.3542 9.3542 9.7215 9.7215
9.7301 9.7301 9.7797 9.7797 10.1313 10.1313 10.8764 10.8764
11.0990 11.0990
k = 0.0000 0.0000 0.5057 ( 7672 PWs) bands (ev):
-68.7192 -68.7192 -68.7130 -68.7130 -38.4926 -38.4926 -38.4714 -38.4714
-37.3201 -37.3201 -37.2834 -37.2834 -37.2521 -37.2521 -37.2462 -37.2462
-31.0639 -31.0639 -12.3548 -12.3548 -12.0094 -12.0094 -11.9289 -11.9289
-0.1110 -0.1110 2.6489 2.6489 5.4686 5.4686 6.5499 6.5499
7.2597 7.2597 7.3004 7.3004 8.1863 8.1863 8.4061 8.4061
8.8333 8.8333 9.1125 9.1125 9.3270 9.3270 9.7037 9.7037
9.7217 9.7217 9.7677 9.7677 10.1105 10.1105 10.8699 10.8699
11.1045 11.1045
k = 0.0000 0.0000 0.5252 ( 7674 PWs) bands (ev):
-68.7183 -68.7183 -68.7142 -68.7142 -38.4921 -38.4921 -38.4720 -38.4720
-37.3194 -37.3194 -37.2847 -37.2847 -37.2516 -37.2516 -37.2460 -37.2460
-31.0638 -31.0638 -12.3557 -12.3557 -12.0107 -12.0107 -11.9290 -11.9290
-0.0731 -0.0731 2.6530 2.6530 5.4744 5.4744 6.5527 6.5527
7.1846 7.1846 7.2933 7.2933 8.2132 8.2132 8.4175 8.4175
8.8201 8.8201 9.0877 9.0877 9.2953 9.2953 9.6849 9.6849
9.7146 9.7146 9.7609 9.7609 10.0872 10.0872 10.8678 10.8678
11.1065 11.1065
k = 0.0000 0.0000 0.5446 ( 7662 PWs) bands (ev):
-68.7171 -68.7171 -68.7139 -68.7139 -38.4915 -38.4915 -38.4726 -38.4726
-37.3187 -37.3187 -37.2860 -37.2860 -37.2512 -37.2512 -37.2459 -37.2459
-31.0636 -31.0636 -12.3565 -12.3565 -12.0120 -12.0120 -11.9290 -11.9290
-0.0354 -0.0354 2.6575 2.6575 5.4770 5.4770 6.5618 6.5618
7.1114 7.1114 7.2878 7.2878 8.2418 8.2418 8.4288 8.4288
8.8060 8.8060 9.0604 9.0604 9.2722 9.2722 9.6687 9.6687
9.7076 9.7076 9.7606 9.7606 10.0688 10.0688 10.8683 10.8683
11.1127 11.1127
k = 0.0000 0.0000 0.5641 ( 7668 PWs) bands (ev):
-68.7171 -68.7171 -68.7145 -68.7145 -38.4910 -38.4910 -38.4733 -38.4733
-37.3181 -37.3181 -37.2873 -37.2873 -37.2507 -37.2507 -37.2457 -37.2457
-31.0635 -31.0635 -12.3574 -12.3574 -12.0132 -12.0132 -11.9290 -11.9290
0.0020 0.0020 2.6620 2.6620 5.4767 5.4767 6.5755 6.5755
7.0401 7.0401 7.2818 7.2818 8.2692 8.2692 8.4352 8.4352
8.7899 8.7899 9.0299 9.0299 9.2428 9.2428 9.6504 9.6504
9.6944 9.6944 9.7624 9.7624 10.0485 10.0485 10.8659 10.8659
11.1171 11.1171
k = 0.0000 0.0000 0.5835 ( 7664 PWs) bands (ev):
-68.7175 -68.7175 -68.7137 -68.7137 -38.4905 -38.4905 -38.4739 -38.4739
-37.3174 -37.3174 -37.2887 -37.2887 -37.2502 -37.2502 -37.2456 -37.2456
-31.0634 -31.0634 -12.3583 -12.3583 -12.0145 -12.0145 -11.9290 -11.9290
0.0389 0.0389 2.6668 2.6668 5.4745 5.4745 6.5954 6.5954
6.9709 6.9709 7.2764 7.2764 8.2984 8.2984 8.4429 8.4429
8.7728 8.7728 9.0009 9.0009 9.2201 9.2201 9.6333 9.6333
9.6788 9.6788 9.7642 9.7642 10.0304 10.0304 10.8681 10.8681
11.1224 11.1224
k = 0.0000 0.0000 0.6030 ( 7668 PWs) bands (ev):
-68.7178 -68.7178 -68.7139 -68.7139 -38.4900 -38.4900 -38.4745 -38.4745
-37.3167 -37.3167 -37.2900 -37.2900 -37.2497 -37.2497 -37.2455 -37.2455
-31.0632 -31.0632 -12.3591 -12.3591 -12.0157 -12.0157 -11.9290 -11.9290
0.0753 0.0753 2.6716 2.6716 5.4710 5.4710 6.6197 6.6197
6.9042 6.9042 7.2706 7.2706 8.3252 8.3252 8.4468 8.4468
8.7545 8.7545 8.9713 8.9713 9.1902 9.1902 9.6172 9.6172
9.6652 9.6652 9.7646 9.7646 10.0127 10.0127 10.8722 10.8722
11.1273 11.1273
k = 0.0000 0.0000 0.6224 ( 7660 PWs) bands (ev):
-68.7171 -68.7171 -68.7136 -68.7136 -38.4894 -38.4894 -38.4751 -38.4751
-37.3161 -37.3161 -37.2913 -37.2913 -37.2491 -37.2491 -37.2453 -37.2453
-31.0631 -31.0631 -12.3599 -12.3599 -12.0169 -12.0169 -11.9290 -11.9290
0.1110 0.1110 2.6765 2.6765 5.4669 5.4669 6.6473 6.6473
6.8399 6.8399 7.2651 7.2651 8.3518 8.3518 8.4544 8.4544
8.7353 8.7353 8.9433 8.9433 9.1677 9.1677 9.6028 9.6028
9.6556 9.6556 9.7660 9.7660 9.9972 9.9972 10.8800 10.8800
11.1325 11.1325
k = 0.0000 0.0000 0.6419 ( 7648 PWs) bands (ev):
-68.7164 -68.7164 -68.7128 -68.7128 -38.4889 -38.4889 -38.4757 -38.4757
-37.3155 -37.3155 -37.2926 -37.2926 -37.2486 -37.2486 -37.2451 -37.2451
-31.0630 -31.0630 -12.3607 -12.3607 -12.0181 -12.0181 -11.9291 -11.9291
0.1458 0.1458 2.6818 2.6818 5.4629 5.4629 6.6759 6.6759
6.7805 6.7805 7.2602 7.2602 8.3795 8.3795 8.4585 8.4585
8.7166 8.7166 8.9150 8.9150 9.1418 9.1418 9.5935 9.5935
9.6462 9.6462 9.7711 9.7711 9.9848 9.9848 10.8866 10.8866
11.1390 11.1390
k = 0.0000 0.0000 0.6613 ( 7638 PWs) bands (ev):
-68.7160 -68.7160 -68.7120 -68.7120 -38.4884 -38.4884 -38.4762 -38.4762
-37.3150 -37.3150 -37.2938 -37.2938 -37.2480 -37.2480 -37.2450 -37.2450
-31.0628 -31.0628 -12.3615 -12.3615 -12.0192 -12.0192 -11.9291 -11.9291
0.1795 0.1795 2.6870 2.6870 5.4591 5.4591 6.6889 6.6889
6.7407 6.7407 7.2557 7.2557 8.4056 8.4056 8.4601 8.4601
8.6970 8.6970 8.8862 8.8862 9.1157 9.1157 9.5846 9.5846
9.6382 9.6382 9.7761 9.7761 9.9764 9.9764 10.8942 10.8942
11.1433 11.1433
k = 0.0000 0.0000 0.6808 ( 7638 PWs) bands (ev):
-68.7153 -68.7153 -68.7126 -68.7126 -38.4880 -38.4880 -38.4768 -38.4768
-37.3145 -37.3145 -37.2950 -37.2950 -37.2475 -37.2475 -37.2448 -37.2448
-31.0627 -31.0627 -12.3623 -12.3623 -12.0203 -12.0203 -11.9291 -11.9291
0.2122 0.2122 2.6923 2.6923 5.4562 5.4562 6.6482 6.6482
6.7583 6.7583 7.2498 7.2498 8.4295 8.4295 8.4592 8.4592
8.6768 8.6768 8.8571 8.8571 9.0892 9.0892 9.5771 9.5771
9.6282 9.6282 9.7847 9.7847 9.9601 9.9601 10.9004 10.9004
11.1437 11.1437
k = 0.0000 0.0000 0.7002 ( 7652 PWs) bands (ev):
-68.7169 -68.7169 -68.7128 -68.7128 -38.4875 -38.4875 -38.4774 -38.4774
-37.3140 -37.3140 -37.2963 -37.2963 -37.2469 -37.2469 -37.2447 -37.2447
-31.0626 -31.0626 -12.3630 -12.3630 -12.0214 -12.0214 -11.9291 -11.9291
0.2435 0.2435 2.6974 2.6974 5.4539 5.4539 6.5953 6.5953
6.7912 6.7912 7.2440 7.2440 8.4432 8.4432 8.4594 8.4594
8.6560 8.6560 8.8268 8.8268 9.0642 9.0642 9.5681 9.5681
9.6127 9.6127 9.7898 9.7898 9.9449 9.9449 10.9011 10.9011
11.1438 11.1438
k = 0.0000 0.0000 0.7197 ( 7648 PWs) bands (ev):
-68.7168 -68.7168 -68.7125 -68.7125 -38.4871 -38.4871 -38.4779 -38.4779
-37.3135 -37.3135 -37.2974 -37.2974 -37.2463 -37.2463 -37.2445 -37.2445
-31.0625 -31.0625 -12.3637 -12.3637 -12.0224 -12.0224 -11.9290 -11.9290
0.2736 0.2736 2.7028 2.7028 5.4541 5.4541 6.5433 6.5433
6.8270 6.8270 7.2390 7.2390 8.4421 8.4421 8.4786 8.4786
8.6365 8.6365 8.7996 8.7996 9.0403 9.0403 9.5661 9.5661
9.6053 9.6053 9.7894 9.7894 9.9341 9.9341 10.9081 10.9081
11.1454 11.1454
k = 0.0000 0.0000 0.7391 ( 7648 PWs) bands (ev):
-68.7167 -68.7167 -68.7127 -68.7127 -38.4866 -38.4866 -38.4784 -38.4784
-37.3131 -37.3131 -37.2985 -37.2985 -37.2458 -37.2458 -37.2444 -37.2444
-31.0623 -31.0623 -12.3643 -12.3643 -12.0234 -12.0234 -11.9290 -11.9290
0.3021 0.3021 2.7080 2.7080 5.4555 5.4555 6.4937 6.4937
6.8624 6.8624 7.2340 7.2340 8.4332 8.4332 8.4970 8.4970
8.6159 8.6159 8.7717 8.7717 9.0209 9.0209 9.5623 9.5623
9.5978 9.5978 9.7944 9.7944 9.9238 9.9238 10.9114 10.9114
11.1503 11.1503
k = 0.0000 0.0000 0.7586 ( 7646 PWs) bands (ev):
-68.7163 -68.7163 -68.7128 -68.7128 -38.4862 -38.4862 -38.4789 -38.4789
-37.3127 -37.3127 -37.2996 -37.2996 -37.2453 -37.2453 -37.2442 -37.2442
-31.0622 -31.0622 -12.3650 -12.3650 -12.0243 -12.0243 -11.9290 -11.9290
0.3292 0.3292 2.7132 2.7132 5.4589 5.4589 6.4464 6.4464
6.8980 6.8980 7.2292 7.2292 8.4223 8.4223 8.5155 8.5155
8.5966 8.5966 8.7473 8.7473 8.9987 8.9987 9.5609 9.5609
9.5922 9.5922 9.8014 9.8014 9.9135 9.9135 10.9144 10.9144
11.1511 11.1511
k = 0.0000 0.0000 0.7780 ( 7646 PWs) bands (ev):
-68.7167 -68.7167 -68.7125 -68.7125 -38.4858 -38.4858 -38.4794 -38.4794
-37.3123 -37.3123 -37.3006 -37.3006 -37.2447 -37.2447 -37.2441 -37.2441
-31.0621 -31.0621 -12.3656 -12.3656 -12.0251 -12.0251 -11.9290 -11.9290
0.3546 0.3546 2.7182 2.7182 5.4641 5.4641 6.4018 6.4018
6.9330 6.9330 7.2246 7.2246 8.4095 8.4095 8.5309 8.5309
8.5789 8.5789 8.7227 8.7227 8.9794 8.9794 9.5571 9.5571
9.5889 9.5889 9.8061 9.8061 9.9045 9.9045 10.9160 10.9160
11.1519 11.1519
k = 0.0000 0.0000 0.7975 ( 7650 PWs) bands (ev):
-68.7171 -68.7171 -68.7126 -68.7126 -38.4855 -38.4855 -38.4799 -38.4799
-37.3120 -37.3120 -37.3016 -37.3016 -37.2442 -37.2442 -37.2440 -37.2440
-31.0620 -31.0620 -12.3661 -12.3661 -12.0260 -12.0260 -11.9290 -11.9290
0.3784 0.3784 2.7231 2.7231 5.4704 5.4704 6.3599 6.3599
6.9660 6.9660 7.2203 7.2203 8.3933 8.3933 8.5384 8.5384
8.5670 8.5670 8.7011 8.7011 8.9592 8.9592 9.5524 9.5524
9.5896 9.5896 9.8121 9.8121 9.8985 9.8985 10.9087 10.9087
11.1526 11.1526
k = 0.0000 0.0000 0.8169 ( 7644 PWs) bands (ev):
-68.7172 -68.7172 -68.7117 -68.7117 -38.4851 -38.4851 -38.4803 -38.4803
-37.3117 -37.3117 -37.3025 -37.3025 -37.2439 -37.2439 -37.2437 -37.2437
-31.0619 -31.0619 -12.3667 -12.3667 -12.0267 -12.0267 -11.9290 -11.9290
0.4005 0.4005 2.7277 2.7277 5.4787 5.4787 6.3214 6.3214
6.9975 6.9975 7.2164 7.2164 8.3763 8.3763 8.5312 8.5312
8.5696 8.5696 8.6803 8.6803 8.9477 8.9477 9.5481 9.5481
9.5956 9.5956 9.8165 9.8165 9.8933 9.8933 10.9070 10.9070
11.1556 11.1556
k = 0.0000 0.0000 0.8364 ( 7642 PWs) bands (ev):
-68.7169 -68.7169 -68.7119 -68.7119 -38.4848 -38.4848 -38.4807 -38.4807
-37.3114 -37.3114 -37.3034 -37.3034 -37.2438 -37.2438 -37.2432 -37.2432
-31.0619 -31.0619 -12.3672 -12.3672 -12.0274 -12.0274 -11.9290 -11.9290
0.4208 0.4208 2.7324 2.7324 5.4883 5.4883 6.2854 6.2854
7.0267 7.0267 7.2127 7.2127 8.3572 8.3572 8.5172 8.5172
8.5805 8.5805 8.6627 8.6627 8.9282 8.9282 9.5435 9.5435
9.6049 9.6049 9.8209 9.8209 9.8898 9.8898 10.9027 10.9027
11.1566 11.1566
k = 0.0000 0.0000 0.8558 ( 7648 PWs) bands (ev):
-68.7165 -68.7165 -68.7130 -68.7130 -38.4845 -38.4845 -38.4810 -38.4810
-37.3112 -37.3112 -37.3041 -37.3041 -37.2436 -37.2436 -37.2428 -37.2428
-31.0618 -31.0618 -12.3676 -12.3676 -12.0281 -12.0281 -11.9290 -11.9290
0.4394 0.4394 2.7367 2.7367 5.4993 5.4993 6.2512 6.2512
7.0537 7.0537 7.2091 7.2091 8.3381 8.3381 8.5012 8.5012
8.5913 8.5913 8.6454 8.6454 8.9097 8.9097 9.5389 9.5389
9.6133 9.6133 9.8255 9.8255 9.8820 9.8820 10.8991 10.8991
11.1500 11.1500
k = 0.0000 0.0000 0.8753 ( 7648 PWs) bands (ev):
-68.7164 -68.7164 -68.7131 -68.7131 -38.4843 -38.4843 -38.4814 -38.4814
-37.3110 -37.3110 -37.3048 -37.3048 -37.2435 -37.2435 -37.2424 -37.2424
-31.0617 -31.0617 -12.3680 -12.3680 -12.0287 -12.0287 -11.9290 -11.9290
0.4561 0.4561 2.7407 2.7407 5.5110 5.5110 6.2212 6.2212
7.0783 7.0783 7.2059 7.2059 8.3188 8.3188 8.4865 8.4865
8.5993 8.5993 8.6308 8.6308 8.8952 8.8952 9.5342 9.5342
9.6244 9.6244 9.8290 9.8290 9.8766 9.8766 10.8957 10.8957
11.1502 11.1502
k = 0.0000 0.0000 0.8947 ( 7648 PWs) bands (ev):
-68.7158 -68.7158 -68.7138 -68.7138 -38.4841 -38.4841 -38.4817 -38.4817
-37.3108 -37.3108 -37.3055 -37.3055 -37.2434 -37.2434 -37.2420 -37.2420
-31.0617 -31.0617 -12.3684 -12.3684 -12.0292 -12.0292 -11.9289 -11.9289
0.4711 0.4711 2.7443 2.7443 5.5231 5.5231 6.1940 6.1940
7.1001 7.1001 7.2031 7.2031 8.2990 8.2990 8.4705 8.4705
8.6034 8.6034 8.6204 8.6204 8.8804 8.8804 9.5303 9.5303
9.6301 9.6301 9.8383 9.8383 9.8771 9.8771 10.8940 10.8940
11.1506 11.1506
k = 0.0000 0.0000 0.9142 ( 7650 PWs) bands (ev):
-68.7160 -68.7160 -68.7139 -68.7139 -38.4838 -38.4838 -38.4820 -38.4820
-37.3106 -37.3106 -37.3061 -37.3061 -37.2433 -37.2433 -37.2417 -37.2417
-31.0616 -31.0616 -12.3687 -12.3687 -12.0297 -12.0297 -11.9289 -11.9289
0.4843 0.4843 2.7476 2.7476 5.5349 5.5349 6.1702 6.1702
7.1192 7.1192 7.2005 7.2005 8.2805 8.2805 8.4582 8.4582
8.5987 8.5987 8.6201 8.6201 8.8688 8.8688 9.5250 9.5250
9.6417 9.6417 9.8412 9.8412 9.8729 9.8729 10.8867 10.8867
11.1506 11.1506
k = 0.0000 0.0000 0.9336 ( 7654 PWs) bands (ev):
-68.7159 -68.7159 -68.7144 -68.7144 -38.4837 -38.4837 -38.4822 -38.4822
-37.3105 -37.3105 -37.3066 -37.3066 -37.2433 -37.2433 -37.2414 -37.2414
-31.0615 -31.0615 -12.3690 -12.3690 -12.0301 -12.0301 -11.9289 -11.9289
0.4957 0.4957 2.7505 2.7505 5.5466 5.5466 6.1498 6.1498
7.1359 7.1359 7.1981 7.1981 8.2655 8.2655 8.4475 8.4475
8.5900 8.5900 8.6241 8.6241 8.8558 8.8558 9.5213 9.5213
9.6536 9.6536 9.8437 9.8437 9.8613 9.8613 10.8830 10.8830
11.1479 11.1479
k = 0.0000 0.0000 0.9531 ( 7658 PWs) bands (ev):
-68.7164 -68.7164 -68.7145 -68.7145 -38.4835 -38.4835 -38.4824 -38.4824
-37.3104 -37.3104 -37.3070 -37.3070 -37.2432 -37.2432 -37.2412 -37.2412
-31.0615 -31.0615 -12.3692 -12.3692 -12.0304 -12.0304 -11.9289 -11.9289
0.5054 0.5054 2.7529 2.7529 5.5571 5.5571 6.1322 6.1322
7.1495 7.1495 7.1960 7.1960 8.2504 8.2504 8.4381 8.4381
8.5814 8.5814 8.6266 8.6266 8.8472 8.8472 9.5162 9.5162
9.6640 9.6640 9.8453 9.8453 9.8582 9.8582 10.8775 10.8775
11.1479 11.1479
k = 0.0000 0.0000 0.9725 ( 7654 PWs) bands (ev):
-68.7158 -68.7158 -68.7146 -68.7146 -38.4834 -38.4834 -38.4826 -38.4826
-37.3103 -37.3103 -37.3073 -37.3073 -37.2431 -37.2431 -37.2410 -37.2410
-31.0615 -31.0615 -12.3694 -12.3694 -12.0307 -12.0307 -11.9289 -11.9289
0.5132 0.5132 2.7552 2.7552 5.5664 5.5664 6.1178 6.1178
7.1605 7.1605 7.1945 7.1945 8.2376 8.2376 8.4303 8.4303
8.5765 8.5765 8.6315 8.6315 8.8398 8.8398 9.5152 9.5152
9.6733 9.6733 9.8487 9.8487 9.8562 9.8562 10.8744 10.8744
11.1479 11.1479
k = 0.0000 0.0000 0.9920 ( 7646 PWs) bands (ev):
-68.7158 -68.7158 -68.7136 -68.7136 -38.4833 -38.4833 -38.4827 -38.4827
-37.3102 -37.3102 -37.3076 -37.3076 -37.2431 -37.2431 -37.2408 -37.2408
-31.0614 -31.0614 -12.3696 -12.3696 -12.0309 -12.0309 -11.9289 -11.9289
0.5193 0.5193 2.7568 2.7568 5.5737 5.5737 6.1068 6.1068
7.1691 7.1691 7.1935 7.1935 8.2289 8.2289 8.4250 8.4250
8.5706 8.5706 8.6338 8.6338 8.8368 8.8368 9.5169 9.5169
9.6831 9.6831 9.8508 9.8508 9.8591 9.8591 10.8684 10.8684
11.1513 11.1513
k = 0.0000 0.0000 1.0114 ( 7642 PWs) bands (ev):
-68.7153 -68.7153 -68.7137 -68.7137 -38.4832 -38.4832 -38.4828 -38.4828
-37.3101 -37.3101 -37.3078 -37.3078 -37.2431 -37.2431 -37.2407 -37.2407
-31.0614 -31.0614 -12.3697 -12.3697 -12.0311 -12.0311 -11.9289 -11.9289
0.5237 0.5237 2.7580 2.7580 5.5803 5.5803 6.0988 6.0988
7.1752 7.1752 7.1925 7.1925 8.2227 8.2227 8.4198 8.4198
8.5667 8.5667 8.6360 8.6360 8.8317 8.8317 9.5169 9.5169
9.6870 9.6870 9.8520 9.8520 9.8591 9.8591 10.8722 10.8722
11.1513 11.1513
k = 0.0000 0.0000 1.0309 ( 7634 PWs) bands (ev):
-68.7147 -68.7147 -68.7132 -68.7132 -38.4831 -38.4831 -38.4828 -38.4828
-37.3101 -37.3101 -37.3079 -37.3079 -37.2430 -37.2430 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5263 0.5263 2.7588 2.7588 5.5839 5.5839 6.0941 6.0941
7.1788 7.1788 7.1919 7.1919 8.2182 8.2182 8.4172 8.4172
8.5644 8.5644 8.6378 8.6378 8.8294 8.8294 9.5169 9.5169
9.6906 9.6906 9.8582 9.8582 9.8645 9.8645 10.8715 10.8715
11.1536 11.1536
k = 0.0000 0.0000 1.0503 ( 7632 PWs) bands (ev):
-68.7145 -68.7145 -68.7132 -68.7132 -38.4831 -38.4831 -38.4828 -38.4828
-37.3101 -37.3101 -37.3079 -37.3079 -37.2430 -37.2430 -37.2405 -37.2405
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5272 0.5272 2.7589 2.7589 5.5852 5.5852 6.0925 6.0925
7.1800 7.1800 7.1920 7.1920 8.2167 8.2167 8.4163 8.4163
8.5627 8.5627 8.6374 8.6374 8.8286 8.8286 9.5210 9.5210
9.6918 9.6918 9.8596 9.8596 9.8642 9.8642 10.8716 10.8716
11.1536 11.1536
k = 0.0000 0.0000 1.0503 ( 7632 PWs) bands (ev):
-68.7145 -68.7145 -68.7132 -68.7132 -38.4831 -38.4831 -38.4828 -38.4828
-37.3101 -37.3101 -37.3079 -37.3079 -37.2430 -37.2430 -37.2405 -37.2405
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5272 0.5272 2.7589 2.7589 5.5852 5.5852 6.0925 6.0925
7.1800 7.1800 7.1920 7.1920 8.2167 8.2167 8.4163 8.4163
8.5627 8.5627 8.6374 8.6374 8.8286 8.8286 9.5210 9.5210
9.6918 9.6918 9.8596 9.8596 9.8642 9.8642 10.8716 10.8716
11.1536 11.1536
k =-0.0092 0.0169 1.0503 ( 7638 PWs) bands (ev):
-68.7150 -68.7150 -68.7135 -68.7135 -38.4831 -38.4831 -38.4829 -38.4829
-37.3100 -37.3100 -37.3079 -37.3079 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5271 0.5271 2.7564 2.7564 5.5864 5.5864 6.0947 6.0947
7.1629 7.1629 7.2062 7.2062 8.2162 8.2162 8.4155 8.4155
8.5639 8.5639 8.6366 8.6366 8.8274 8.8274 9.5207 9.5207
9.6868 9.6868 9.8609 9.8609 9.8668 9.8668 10.8706 10.8706
11.1532 11.1532
k =-0.0183 0.0338 1.0503 ( 7642 PWs) bands (ev):
-68.7155 -68.7155 -68.7135 -68.7135 -38.4830 -38.4830 -38.4829 -38.4829
-37.3099 -37.3099 -37.3080 -37.3080 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3697 -12.3697 -12.0311 -12.0311 -11.9289 -11.9289
0.5267 0.5267 2.7488 2.7488 5.5903 5.5903 6.1018 6.1018
7.1389 7.1389 7.2229 7.2229 8.2193 8.2193 8.4133 8.4133
8.5658 8.5658 8.6363 8.6363 8.8260 8.8260 9.5253 9.5253
9.6737 9.6737 9.8618 9.8618 9.8818 9.8818 10.8705 10.8705
11.1523 11.1523
k =-0.0275 0.0507 1.0503 ( 7652 PWs) bands (ev):
-68.7160 -68.7160 -68.7142 -68.7142 -38.4830 -38.4830 -38.4830 -38.4830
-37.3097 -37.3097 -37.3081 -37.3081 -37.2433 -37.2433 -37.2406 -37.2406
-31.0614 -31.0614 -12.3696 -12.3696 -12.0309 -12.0309 -11.9289 -11.9289
0.5261 0.5261 2.7363 2.7363 5.5969 5.5969 6.1144 6.1144
7.1119 7.1119 7.2374 7.2374 8.2198 8.2198 8.4083 8.4083
8.5702 8.5702 8.6366 8.6366 8.8233 8.8233 9.5370 9.5370
9.6529 9.6529 9.8565 9.8565 9.9044 9.9044 10.8684 10.8684
11.1576 11.1576
k =-0.0366 0.0677 1.0503 ( 7648 PWs) bands (ev):
-68.7159 -68.7159 -68.7138 -68.7138 -38.4831 -38.4831 -38.4828 -38.4828
-37.3094 -37.3094 -37.3082 -37.3082 -37.2434 -37.2434 -37.2407 -37.2407
-31.0615 -31.0615 -12.3695 -12.3695 -12.0307 -12.0307 -11.9289 -11.9289
0.5253 0.5253 2.7191 2.7191 5.6062 5.6062 6.1305 6.1305
7.0829 7.0829 7.2505 7.2505 8.2269 8.2269 8.4043 8.4043
8.5764 8.5764 8.6374 8.6374 8.8212 8.8212 9.5537 9.5537
9.6378 9.6378 9.8568 9.8568 9.9389 9.9389 10.8684 10.8684
11.1556 11.1556
k =-0.0458 0.0846 1.0503 ( 7644 PWs) bands (ev):
-68.7154 -68.7154 -68.7138 -68.7138 -38.4832 -38.4832 -38.4827 -38.4827
-37.3091 -37.3091 -37.3083 -37.3083 -37.2436 -37.2436 -37.2407 -37.2407
-31.0615 -31.0615 -12.3693 -12.3693 -12.0304 -12.0304 -11.9290 -11.9290
0.5243 0.5243 2.6973 2.6973 5.6181 5.6181 6.1509 6.1509
7.0517 7.0517 7.2620 7.2620 8.2353 8.2353 8.3978 8.3978
8.5846 8.5846 8.6384 8.6384 8.8169 8.8169 9.5747 9.5747
9.6226 9.6226 9.8555 9.8555 9.9813 9.9813 10.8699 10.8699
11.1537 11.1537
k =-0.0549 0.1015 1.0503 ( 7640 PWs) bands (ev):
-68.7148 -68.7148 -68.7139 -68.7139 -38.4834 -38.4834 -38.4825 -38.4825
-37.3087 -37.3087 -37.3084 -37.3084 -37.2438 -37.2438 -37.2408 -37.2408
-31.0615 -31.0615 -12.3690 -12.3690 -12.0301 -12.0301 -11.9290 -11.9290
0.5230 0.5230 2.6713 2.6713 5.6326 5.6326 6.1745 6.1745
7.0187 7.0187 7.2721 7.2721 8.2445 8.2445 8.3908 8.3908
8.5963 8.5963 8.6394 8.6394 8.8120 8.8120 9.5943 9.5943
9.6170 9.6170 9.8542 9.8542 10.0252 10.0252 10.8707 10.8707
11.1492 11.1492
k =-0.0641 0.1184 1.0503 ( 7644 PWs) bands (ev):
-68.7152 -68.7152 -68.7139 -68.7139 -38.4836 -38.4836 -38.4822 -38.4822
-37.3086 -37.3086 -37.3082 -37.3082 -37.2441 -37.2441 -37.2408 -37.2408
-31.0616 -31.0616 -12.3687 -12.3687 -12.0297 -12.0297 -11.9290 -11.9290
0.5213 0.5213 2.6412 2.6412 5.6494 5.6494 6.2022 6.2022
6.9841 6.9841 7.2805 7.2805 8.2546 8.2546 8.3814 8.3814
8.6071 8.6071 8.6398 8.6398 8.8067 8.8067 9.5889 9.5889
9.6346 9.6346 9.8523 9.8523 10.0684 10.0684 10.8683 10.8683
11.1487 11.1487
k =-0.0733 0.1353 1.0503 ( 7642 PWs) bands (ev):
-68.7146 -68.7146 -68.7142 -68.7142 -38.4838 -38.4838 -38.4820 -38.4820
-37.3088 -37.3088 -37.3076 -37.3076 -37.2444 -37.2444 -37.2409 -37.2409
-31.0616 -31.0616 -12.3684 -12.3684 -12.0292 -12.0292 -11.9291 -11.9291
0.5192 0.5192 2.6076 2.6076 5.6690 5.6690 6.2328 6.2328
6.9483 6.9483 7.2886 7.2886 8.2650 8.2650 8.3708 8.3708
8.6212 8.6212 8.6422 8.6422 8.7997 8.7997 9.5781 9.5781
9.6710 9.6710 9.8501 9.8501 10.1144 10.1144 10.8683 10.8683
11.1483 11.1483
k =-0.0733 0.1353 1.0503 ( 7642 PWs) bands (ev):
-68.7146 -68.7146 -68.7142 -68.7142 -38.4838 -38.4838 -38.4820 -38.4820
-37.3088 -37.3088 -37.3076 -37.3076 -37.2444 -37.2444 -37.2409 -37.2409
-31.0616 -31.0616 -12.3684 -12.3684 -12.0292 -12.0292 -11.9291 -11.9291
0.5192 0.5192 2.6076 2.6076 5.6690 5.6690 6.2328 6.2328
6.9483 6.9483 7.2886 7.2886 8.2650 8.2650 8.3708 8.3708
8.6212 8.6212 8.6422 8.6422 8.7997 8.7997 9.5781 9.5781
9.6710 9.6710 9.8501 9.8501 10.1144 10.1144 10.8683 10.8683
11.1483 11.1483
k =-0.0797 0.1473 1.0367 ( 7642 PWs) bands (ev):
-68.7148 -68.7148 -68.7140 -68.7140 -38.4839 -38.4839 -38.4818 -38.4818
-37.3089 -37.3089 -37.3072 -37.3072 -37.2446 -37.2446 -37.2410 -37.2410
-31.0617 -31.0617 -12.3682 -12.3682 -12.0288 -12.0288 -11.9291 -11.9291
0.5172 0.5172 2.5818 2.5818 5.6829 5.6829 6.2571 6.2571
6.9234 6.9234 7.2931 7.2931 8.2748 8.2748 8.3634 8.3634
8.6283 8.6283 8.6463 8.6463 8.7948 8.7948 9.5717 9.5717
9.6959 9.6959 9.8498 9.8498 10.1474 10.1474 10.8658 10.8658
11.1497 11.1497
k =-0.0862 0.1592 1.0231 ( 7649 PWs) bands (ev):
-68.7151 -68.7151 -68.7146 -68.7146 -38.4841 -38.4841 -38.4816 -38.4816
-37.3090 -37.3090 -37.3068 -37.3068 -37.2449 -37.2449 -37.2411 -37.2411
-31.0617 -31.0617 -12.3679 -12.3679 -12.0284 -12.0284 -11.9291 -11.9291
0.5142 0.5142 2.5545 2.5545 5.6961 5.6961 6.2835 6.2835
6.9004 6.9004 7.2959 7.2959 8.2845 8.2845 8.3554 8.3554
8.6317 8.6317 8.6535 8.6535 8.7898 8.7898 9.5629 9.5629
9.7217 9.7217 9.8464 9.8464 10.1770 10.1770 10.8666 10.8666
11.1514 11.1514
k =-0.0927 0.1712 1.0096 ( 7655 PWs) bands (ev):
-68.7156 -68.7156 -68.7149 -68.7149 -38.4842 -38.4842 -38.4814 -38.4814
-37.3091 -37.3091 -37.3063 -37.3063 -37.2451 -37.2451 -37.2413 -37.2413
-31.0618 -31.0618 -12.3676 -12.3676 -12.0279 -12.0279 -11.9292 -11.9292
0.5105 0.5105 2.5259 2.5259 5.7073 5.7073 6.3118 6.3118
6.8801 6.8801 7.2970 7.2970 8.2964 8.2964 8.3489 8.3489
8.6313 8.6313 8.6630 8.6630 8.7837 8.7837 9.5569 9.5569
9.7443 9.7443 9.8485 9.8485 10.2093 10.2093 10.8680 10.8680
11.1538 11.1538
k =-0.0991 0.1831 0.9960 ( 7649 PWs) bands (ev):
-68.7150 -68.7150 -68.7147 -68.7147 -38.4844 -38.4844 -38.4811 -38.4811
-37.3091 -37.3091 -37.3058 -37.3058 -37.2454 -37.2454 -37.2414 -37.2414
-31.0619 -31.0619 -12.3672 -12.3672 -12.0274 -12.0274 -11.9292 -11.9292
0.5059 0.5059 2.4963 2.4963 5.7168 5.7168 6.3427 6.3427
6.8632 6.8632 7.2971 7.2971 8.3059 8.3059 8.3447 8.3447
8.6331 8.6331 8.6781 8.6781 8.7785 8.7785 9.5534 9.5534
9.7649 9.7649 9.8575 9.8575 10.2417 10.2417 10.8760 10.8760
11.1635 11.1635
k =-0.1056 0.1951 0.9824 ( 7648 PWs) bands (ev):
-68.7153 -68.7153 -68.7143 -68.7143 -38.4845 -38.4845 -38.4809 -38.4809
-37.3092 -37.3092 -37.3053 -37.3053 -37.2457 -37.2457 -37.2416 -37.2416
-31.0619 -31.0619 -12.3668 -12.3668 -12.0268 -12.0268 -11.9292 -11.9292
0.5005 0.5005 2.4658 2.4658 5.7228 5.7228 6.3752 6.3752
6.8504 6.8504 7.2960 7.2960 8.3108 8.3108 8.3456 8.3456
8.6330 8.6330 8.6958 8.6958 8.7742 8.7742 9.5498 9.5498
9.7759 9.7759 9.8723 9.8723 10.2732 10.2732 10.8803 10.8803
11.1764 11.1764
k =-0.1121 0.2070 0.9688 ( 7651 PWs) bands (ev):
-68.7158 -68.7158 -68.7141 -68.7141 -38.4846 -38.4846 -38.4807 -38.4807
-37.3092 -37.3092 -37.3048 -37.3048 -37.2460 -37.2460 -37.2418 -37.2418
-31.0620 -31.0620 -12.3664 -12.3664 -12.0262 -12.0262 -11.9292 -11.9292
0.4946 0.4946 2.4347 2.4347 5.7252 5.7252 6.4086 6.4086
6.8422 6.8422 7.2937 7.2937 8.3087 8.3087 8.3554 8.3554
8.6321 8.6321 8.7128 8.7128 8.7685 8.7685 9.5455 9.5455
9.7766 9.7766 9.8956 9.8956 10.3040 10.3040 10.8861 10.8861
11.1915 11.1915
k =-0.1185 0.2189 0.9552 ( 7652 PWs) bands (ev):
-68.7156 -68.7156 -68.7144 -68.7144 -38.4847 -38.4847 -38.4805 -38.4805
-37.3092 -37.3092 -37.3042 -37.3042 -37.2464 -37.2464 -37.2421 -37.2421
-31.0621 -31.0621 -12.3660 -12.3660 -12.0256 -12.0256 -11.9292 -11.9292
0.4880 0.4880 2.4030 2.4030 5.7243 5.7243 6.4439 6.4439
6.8390 6.8390 7.2907 7.2907 8.3016 8.3016 8.3710 8.3710
8.6312 8.6312 8.7302 8.7302 8.7633 8.7633 9.5412 9.5412
9.7728 9.7728 9.9229 9.9229 10.3315 10.3315 10.8957 10.8957
11.2156 11.2156
k =-0.1250 0.2309 0.9416 ( 7650 PWs) bands (ev):
-68.7157 -68.7157 -68.7140 -68.7140 -38.4849 -38.4849 -38.4803 -38.4803
-37.3092 -37.3092 -37.3036 -37.3036 -37.2467 -37.2467 -37.2423 -37.2423
-31.0622 -31.0622 -12.3656 -12.3656 -12.0249 -12.0249 -11.9293 -11.9293
0.4810 0.4810 2.3712 2.3712 5.7193 5.7193 6.4794 6.4794
6.8409 6.8409 7.2874 7.2874 8.2932 8.2932 8.3899 8.3899
8.6314 8.6314 8.7511 8.7511 8.7578 8.7578 9.5399 9.5399
9.7667 9.7667 9.9518 9.9518 10.3588 10.3588 10.9062 10.9062
11.2407 11.2407
k =-0.1315 0.2428 0.9281 ( 7652 PWs) bands (ev):
-68.7157 -68.7157 -68.7142 -68.7142 -38.4850 -38.4850 -38.4801 -38.4801
-37.3091 -37.3091 -37.3030 -37.3030 -37.2471 -37.2471 -37.2426 -37.2426
-31.0622 -31.0622 -12.3651 -12.3651 -12.0242 -12.0242 -11.9293 -11.9293
0.4735 0.4735 2.3394 2.3394 5.7106 5.7106 6.5157 6.5157
6.8477 6.8477 7.2837 7.2837 8.2832 8.2832 8.4101 8.4101
8.6322 8.6322 8.7512 8.7512 8.7693 8.7693 9.5384 9.5384
9.7579 9.7579 9.9789 9.9789 10.3845 10.3845 10.9191 10.9191
11.2722 11.2722
k =-0.1379 0.2548 0.9145 ( 7652 PWs) bands (ev):
-68.7155 -68.7155 -68.7144 -68.7144 -38.4851 -38.4851 -38.4799 -38.4799
-37.3091 -37.3091 -37.3024 -37.3024 -37.2475 -37.2475 -37.2429 -37.2429
-31.0623 -31.0623 -12.3647 -12.3647 -12.0234 -12.0234 -11.9292 -11.9292
0.4657 0.4657 2.3076 2.3076 5.6978 5.6978 6.5520 6.5520
6.8587 6.8587 7.2805 7.2805 8.2726 8.2726 8.4335 8.4335
8.6329 8.6329 8.7454 8.7454 8.7901 8.7901 9.5378 9.5378
9.7496 9.7496 10.0058 10.0058 10.4085 10.4085 10.9306 10.9306
11.3082 11.3082
k =-0.1444 0.2667 0.9009 ( 7650 PWs) bands (ev):
-68.7153 -68.7153 -68.7143 -68.7143 -38.4852 -38.4852 -38.4797 -38.4797
-37.3090 -37.3090 -37.3018 -37.3018 -37.2478 -37.2478 -37.2433 -37.2433
-31.0624 -31.0624 -12.3642 -12.3642 -12.0227 -12.0227 -11.9292 -11.9292
0.4575 0.4575 2.2761 2.2761 5.6815 5.6815 6.5882 6.5882
6.8733 6.8733 7.2782 7.2782 8.2617 8.2617 8.4560 8.4560
8.6348 8.6348 8.7400 8.7400 8.8145 8.8145 9.5388 9.5388
9.7406 9.7406 10.0313 10.0313 10.4311 10.4311 10.9421 10.9421
11.3511 11.3511
k =-0.1508 0.2787 0.8873 ( 7648 PWs) bands (ev):
-68.7147 -68.7147 -68.7146 -68.7146 -38.4853 -38.4853 -38.4795 -38.4795
-37.3090 -37.3090 -37.3012 -37.3012 -37.2482 -37.2482 -37.2436 -37.2436
-31.0625 -31.0625 -12.3637 -12.3637 -12.0219 -12.0219 -11.9292 -11.9292
0.4491 0.4491 2.2451 2.2451 5.6623 5.6623 6.6240 6.6240
6.8904 6.8904 7.2775 7.2775 8.2498 8.2498 8.4819 8.4819
8.6359 8.6359 8.7352 8.7352 8.8389 8.8389 9.5390 9.5390
9.7319 9.7319 10.0551 10.0551 10.4519 10.4519 10.9543 10.9543
11.3995 11.3995
k =-0.1573 0.2906 0.8737 ( 7640 PWs) bands (ev):
-68.7142 -68.7142 -68.7141 -68.7141 -38.4854 -38.4854 -38.4793 -38.4793
-37.3089 -37.3089 -37.3005 -37.3005 -37.2486 -37.2486 -37.2439 -37.2439
-31.0626 -31.0626 -12.3633 -12.3633 -12.0211 -12.0211 -11.9292 -11.9292
0.4406 0.4406 2.2147 2.2147 5.6410 5.6410 6.6595 6.6595
6.9089 6.9089 7.2794 7.2794 8.2388 8.2388 8.5088 8.5088
8.6377 8.6377 8.7310 8.7310 8.8662 8.8662 9.5398 9.5398
9.7219 9.7219 10.0782 10.0782 10.4729 10.4729 10.9699 10.9699
11.4543 11.4543
k =-0.1638 0.3026 0.8602 ( 7640 PWs) bands (ev):
-68.7146 -68.7146 -68.7136 -68.7136 -38.4855 -38.4855 -38.4792 -38.4792
-37.3087 -37.3087 -37.2999 -37.2999 -37.2490 -37.2490 -37.2443 -37.2443
-31.0627 -31.0627 -12.3628 -12.3628 -12.0204 -12.0204 -11.9291 -11.9291
0.4321 0.4321 2.1849 2.1849 5.6179 5.6179 6.6940 6.6940
6.9279 6.9279 7.2844 7.2844 8.2258 8.2258 8.5355 8.5355
8.6380 8.6380 8.7256 8.7256 8.8934 8.8934 9.5371 9.5371
9.7085 9.7085 10.0988 10.0988 10.4903 10.4903 10.9889 10.9889
11.5135 11.5135
k =-0.1702 0.3145 0.8466 ( 7634 PWs) bands (ev):
-68.7147 -68.7147 -68.7127 -68.7127 -38.4855 -38.4855 -38.4790 -38.4790
-37.3086 -37.3086 -37.2993 -37.2993 -37.2493 -37.2493 -37.2447 -37.2447
-31.0628 -31.0628 -12.3624 -12.3624 -12.0196 -12.0196 -11.9290 -11.9290
0.4234 0.4234 2.1561 2.1561 5.5934 5.5934 6.7283 6.7283
6.9451 6.9451 7.2930 7.2930 8.2141 8.2141 8.5612 8.5612
8.6406 8.6406 8.7223 8.7223 8.9228 8.9228 9.5372 9.5372
9.6948 9.6948 10.1173 10.1173 10.5078 10.5078 11.0062 11.0062
11.5814 11.5814
k =-0.1767 0.3264 0.8330 ( 7629 PWs) bands (ev):
-68.7144 -68.7144 -68.7122 -68.7122 -38.4856 -38.4856 -38.4788 -38.4788
-37.3085 -37.3085 -37.2987 -37.2987 -37.2497 -37.2497 -37.2451 -37.2451
-31.0629 -31.0629 -12.3619 -12.3619 -12.0188 -12.0188 -11.9290 -11.9290
0.4149 0.4149 2.1282 2.1282 5.5683 5.5683 6.7618 6.7618
6.9600 6.9600 7.3062 7.3062 8.2011 8.2011 8.5879 8.5879
8.6438 8.6438 8.7213 8.7213 8.9510 8.9510 9.5348 9.5348
9.6800 9.6800 10.1348 10.1348 10.5229 10.5229 11.0228 11.0228
11.6548 11.6548
k =-0.1832 0.3384 0.8194 ( 7637 PWs) bands (ev):
-68.7150 -68.7150 -68.7127 -68.7127 -38.4857 -38.4857 -38.4786 -38.4786
-37.3084 -37.3084 -37.2981 -37.2981 -37.2500 -37.2500 -37.2455 -37.2455
-31.0630 -31.0630 -12.3615 -12.3615 -12.0181 -12.0181 -11.9289 -11.9289
0.4065 0.4065 2.1014 2.1014 5.5425 5.5425 6.7928 6.7928
6.9710 6.9710 7.3240 7.3240 8.1866 8.1866 8.6089 8.6089
8.6481 8.6481 8.7189 8.7189 8.9775 8.9775 9.5312 9.5312
9.6636 9.6636 10.1508 10.1508 10.5370 10.5370 11.0329 11.0329
11.7298 11.7298
k =-0.1896 0.3503 0.8058 ( 7634 PWs) bands (ev):
-68.7155 -68.7155 -68.7117 -68.7117 -38.4857 -38.4857 -38.4785 -38.4785
-37.3082 -37.3082 -37.2975 -37.2975 -37.2503 -37.2503 -37.2459 -37.2459
-31.0631 -31.0631 -12.3611 -12.3611 -12.0174 -12.0174 -11.9288 -11.9288
0.3983 0.3983 2.0758 2.0758 5.5167 5.5167 6.8234 6.8234
6.9793 6.9793 7.3465 7.3465 8.1752 8.1752 8.6188 8.6188
8.6637 8.6637 8.7212 8.7212 9.0061 9.0061 9.5276 9.5276
9.6473 9.6473 10.1687 10.1687 10.5520 10.5520 11.0416 11.0416
11.8130 11.8130
k =-0.1961 0.3623 0.7922 ( 7636 PWs) bands (ev):
-68.7150 -68.7150 -68.7124 -68.7124 -38.4858 -38.4858 -38.4783 -38.4783
-37.3082 -37.3082 -37.2969 -37.2969 -37.2507 -37.2507 -37.2463 -37.2463
-31.0632 -31.0632 -12.3607 -12.3607 -12.0167 -12.0167 -11.9287 -11.9287
0.3903 0.3903 2.0514 2.0514 5.4913 5.4913 6.8520 6.8520
6.9834 6.9834 7.3724 7.3724 8.1619 8.1619 8.6215 8.6215
8.6884 8.6884 8.7256 8.7256 9.0307 9.0307 9.5240 9.5240
9.6304 9.6304 10.1849 10.1849 10.5651 10.5651 11.0455 11.0455
11.9007 11.9007
k =-0.2026 0.3742 0.7787 ( 7641 PWs) bands (ev):
-68.7153 -68.7153 -68.7127 -68.7127 -38.4859 -38.4859 -38.4782 -38.4782
-37.3081 -37.3081 -37.2963 -37.2963 -37.2510 -37.2510 -37.2468 -37.2468
-31.0632 -31.0632 -12.3604 -12.3604 -12.0160 -12.0160 -11.9285 -11.9285
0.3827 0.3827 2.0283 2.0283 5.4666 5.4666 6.8786 6.8786
6.9849 6.9849 7.4007 7.4007 8.1489 8.1489 8.6190 8.6190
8.7122 8.7122 8.7342 8.7342 9.0586 9.0586 9.5186 9.5186
9.6103 9.6103 10.2007 10.2007 10.5765 10.5765 11.0448 11.0448
11.9926 11.9926
k =-0.2090 0.3862 0.7651 ( 7637 PWs) bands (ev):
-68.7150 -68.7150 -68.7125 -68.7125 -38.4859 -38.4859 -38.4781 -38.4781
-37.3079 -37.3079 -37.2957 -37.2957 -37.2513 -37.2513 -37.2472 -37.2472
-31.0633 -31.0633 -12.3600 -12.3600 -12.0154 -12.0154 -11.9284 -11.9284
0.3754 0.3754 2.0068 2.0068 5.4428 5.4428 6.9033 6.9033
6.9862 6.9862 7.4312 7.4312 8.1369 8.1369 8.6168 8.6168
8.7272 8.7272 8.7554 8.7554 9.0866 9.0866 9.5134 9.5134
9.5918 9.5918 10.2200 10.2200 10.5873 10.5873 11.0434 11.0434
12.0905 12.0905
k =-0.2155 0.3981 0.7515 ( 7648 PWs) bands (ev):
-68.7163 -68.7163 -68.7125 -68.7125 -38.4860 -38.4860 -38.4779 -38.4779
-37.3078 -37.3078 -37.2952 -37.2952 -37.2516 -37.2516 -37.2476 -37.2476
-31.0634 -31.0634 -12.3597 -12.3597 -12.0148 -12.0148 -11.9283 -11.9283
0.3685 0.3685 1.9866 1.9866 5.4204 5.4204 6.9237 6.9237
6.9869 6.9869 7.4617 7.4617 8.1244 8.1244 8.6112 8.6112
8.7328 8.7328 8.7830 8.7830 9.1091 9.1091 9.5049 9.5049
9.5686 9.5686 10.2375 10.2375 10.5979 10.5979 11.0371 11.0371
12.1895 12.1895
k =-0.2220 0.4101 0.7379 ( 7644 PWs) bands (ev):
-68.7161 -68.7161 -68.7123 -68.7123 -38.4860 -38.4860 -38.4778 -38.4778
-37.3077 -37.3077 -37.2946 -37.2946 -37.2518 -37.2518 -37.2480 -37.2480
-31.0635 -31.0635 -12.3594 -12.3594 -12.0142 -12.0142 -11.9282 -11.9282
0.3620 0.3620 1.9681 1.9681 5.3992 5.3992 6.9390 6.9390
6.9909 6.9909 7.4926 7.4926 8.1133 8.1133 8.6072 8.6072
8.7413 8.7413 8.8120 8.8120 9.1345 9.1345 9.5010 9.5010
9.5496 9.5496 10.2618 10.2618 10.6079 10.6079 11.0267 11.0267
12.2940 12.2940
k =-0.2284 0.4220 0.7243 ( 7644 PWs) bands (ev):
-68.7161 -68.7161 -68.7123 -68.7123 -38.4860 -38.4860 -38.4777 -38.4777
-37.3076 -37.3076 -37.2941 -37.2941 -37.2521 -37.2521 -37.2484 -37.2484
-31.0635 -31.0635 -12.3591 -12.3591 -12.0137 -12.0137 -11.9281 -11.9281
0.3561 0.3561 1.9512 1.9512 5.3796 5.3796 6.9471 6.9471
6.9997 6.9997 7.5225 7.5225 8.1013 8.1013 8.6045 8.6045
8.7473 8.7473 8.8407 8.8407 9.1568 9.1568 9.4954 9.4954
9.5297 9.5297 10.2881 10.2881 10.6171 10.6171 11.0115 11.0115
12.4006 12.4006
k =-0.2349 0.4339 0.7108 ( 7640 PWs) bands (ev):
-68.7156 -68.7156 -68.7122 -68.7122 -38.4861 -38.4861 -38.4776 -38.4776
-37.3075 -37.3075 -37.2936 -37.2936 -37.2523 -37.2523 -37.2487 -37.2487
-31.0636 -31.0636 -12.3589 -12.3589 -12.0133 -12.0133 -11.9279 -11.9279
0.3507 0.3507 1.9359 1.9359 5.3618 5.3618 6.9499 6.9499
7.0127 7.0127 7.5510 7.5510 8.0908 8.0908 8.5998 8.5998
8.7548 8.7548 8.8736 8.8736 9.1777 9.1777 9.4895 9.4895
9.5088 9.5088 10.3160 10.3160 10.6247 10.6247 10.9949 10.9949
12.5101 12.5101
k =-0.2414 0.4459 0.6972 ( 7640 PWs) bands (ev):
-68.7156 -68.7156 -68.7122 -68.7122 -38.4861 -38.4861 -38.4775 -38.4775
-37.3075 -37.3075 -37.2932 -37.2932 -37.2525 -37.2525 -37.2490 -37.2490
-31.0636 -31.0636 -12.3587 -12.3587 -12.0129 -12.0129 -11.9278 -11.9278
0.3458 0.3458 1.9223 1.9223 5.3458 5.3458 6.9485 6.9485
7.0265 7.0265 7.5775 7.5775 8.0816 8.0816 8.5967 8.5967
8.7615 8.7615 8.9013 8.9013 9.1976 9.1976 9.4810 9.4810
9.4883 9.4883 10.3476 10.3476 10.6315 10.6315 10.9712 10.9712
12.6212 12.6212
k =-0.2478 0.4578 0.6836 ( 7645 PWs) bands (ev):
-68.7158 -68.7158 -68.7126 -68.7126 -38.4861 -38.4861 -38.4774 -38.4774
-37.3074 -37.3074 -37.2928 -37.2928 -37.2527 -37.2527 -37.2493 -37.2493
-31.0637 -31.0637 -12.3585 -12.3585 -12.0125 -12.0125 -11.9277 -11.9277
0.3415 0.3415 1.9104 1.9104 5.3316 5.3316 6.9459 6.9459
7.0389 7.0389 7.6008 7.6008 8.0735 8.0735 8.5929 8.5929
8.7657 8.7657 8.9269 8.9269 9.2144 9.2144 9.4652 9.4652
9.4761 9.4761 10.3819 10.3819 10.6356 10.6356 10.9426 10.9426
12.7299 12.7299
k =-0.2543 0.4698 0.6700 ( 7652 PWs) bands (ev):
-68.7161 -68.7161 -68.7132 -68.7132 -38.4862 -38.4862 -38.4774 -38.4774
-37.3074 -37.3074 -37.2925 -37.2925 -37.2528 -37.2528 -37.2496 -37.2496
-31.0637 -31.0637 -12.3583 -12.3583 -12.0122 -12.0122 -11.9276 -11.9276
0.3378 0.3378 1.9003 1.9003 5.3195 5.3195 6.9431 6.9431
7.0503 7.0503 7.6202 7.6202 8.0655 8.0655 8.5890 8.5890
8.7714 8.7714 8.9508 8.9508 9.2295 9.2295 9.4408 9.4408
9.4697 9.4697 10.4171 10.4171 10.6392 10.6392 10.9105 10.9105
12.7892 12.7892
k =-0.2608 0.4817 0.6564 ( 7646 PWs) bands (ev):
-68.7158 -68.7158 -68.7127 -68.7127 -38.4862 -38.4862 -38.4773 -38.4773
-37.3073 -37.3073 -37.2922 -37.2922 -37.2529 -37.2529 -37.2499 -37.2499
-31.0638 -31.0638 -12.3582 -12.3582 -12.0119 -12.0119 -11.9276 -11.9276
0.3348 0.3348 1.8921 1.8921 5.3096 5.3096 6.9409 6.9409
7.0602 7.0602 7.6379 7.6379 8.0609 8.0609 8.5867 8.5867
8.7774 8.7774 8.9722 8.9722 9.2465 9.2465 9.4214 9.4214
9.4659 9.4659 10.4563 10.4563 10.6439 10.6439 10.8780 10.8780
12.7715 12.7715
k =-0.2672 0.4937 0.6428 ( 7642 PWs) bands (ev):
-68.7156 -68.7156 -68.7124 -68.7124 -38.4862 -38.4862 -38.4773 -38.4773
-37.3073 -37.3073 -37.2919 -37.2919 -37.2529 -37.2529 -37.2501 -37.2501
-31.0638 -31.0638 -12.3581 -12.3581 -12.0117 -12.0117 -11.9275 -11.9275
0.3325 0.3325 1.8856 1.8856 5.3019 5.3019 6.9381 6.9381
7.0682 7.0682 7.6521 7.6521 8.0568 8.0568 8.5846 8.5846
8.7817 8.7817 8.9896 8.9896 9.2611 9.2611 9.4057 9.4057
9.4646 9.4646 10.4918 10.4918 10.6482 10.6482 10.8452 10.8452
12.7550 12.7550
k =-0.2737 0.5056 0.6293 ( 7642 PWs) bands (ev):
-68.7153 -68.7153 -68.7127 -68.7127 -38.4862 -38.4862 -38.4772 -38.4772
-37.3073 -37.3073 -37.2917 -37.2917 -37.2530 -37.2530 -37.2503 -37.2503
-31.0638 -31.0638 -12.3580 -12.3580 -12.0116 -12.0116 -11.9275 -11.9275
0.3308 0.3308 1.8810 1.8810 5.2963 5.2963 6.9370 6.9370
7.0738 7.0738 7.6623 7.6623 8.0526 8.0526 8.5829 8.5829
8.7836 8.7836 9.0036 9.0036 9.2720 9.2720 9.3892 9.3892
9.4624 9.4624 10.5255 10.5255 10.6508 10.6508 10.8154 10.8154
12.7430 12.7430
k =-0.2802 0.5175 0.6157 ( 7650 PWs) bands (ev):
-68.7158 -68.7158 -68.7132 -68.7132 -38.4862 -38.4862 -38.4772 -38.4772
-37.3074 -37.3074 -37.2915 -37.2915 -37.2530 -37.2530 -37.2504 -37.2504
-31.0638 -31.0638 -12.3580 -12.3580 -12.0115 -12.0115 -11.9274 -11.9274
0.3297 0.3297 1.8781 1.8781 5.2929 5.2929 6.9356 6.9356
7.0769 7.0769 7.6685 7.6685 8.0486 8.0486 8.5810 8.5810
8.7827 8.7827 9.0105 9.0105 9.2795 9.2795 9.3776 9.3776
9.4579 9.4579 10.5483 10.5483 10.6515 10.6515 10.7930 10.7930
12.7352 12.7352
k =-0.2866 0.5295 0.6021 ( 7655 PWs) bands (ev):
-68.7156 -68.7156 -68.7141 -68.7141 -38.4863 -38.4863 -38.4772 -38.4772
-37.3074 -37.3074 -37.2914 -37.2914 -37.2530 -37.2530 -37.2505 -37.2505
-31.0638 -31.0638 -12.3579 -12.3579 -12.0115 -12.0115 -11.9274 -11.9274
0.3294 0.3294 1.8772 1.8772 5.2917 5.2917 6.9348 6.9348
7.0767 7.0767 7.6699 7.6699 8.0481 8.0481 8.5824 8.5824
8.7841 8.7841 9.0132 9.0132 9.2814 9.2814 9.3716 9.3716
9.4570 9.4570 10.5570 10.5570 10.6476 10.6476 10.7824 10.7824
12.7327 12.7327
k =-0.2866 0.5295 0.6021 ( 7655 PWs) bands (ev):
-68.7156 -68.7156 -68.7141 -68.7141 -38.4863 -38.4863 -38.4772 -38.4772
-37.3074 -37.3074 -37.2914 -37.2914 -37.2530 -37.2530 -37.2505 -37.2505
-31.0638 -31.0638 -12.3579 -12.3579 -12.0115 -12.0115 -11.9274 -11.9274
0.3294 0.3294 1.8772 1.8772 5.2917 5.2917 6.9348 6.9348
7.0767 7.0767 7.6699 7.6699 8.0481 8.0481 8.5824 8.5824
8.7841 8.7841 9.0132 9.0132 9.2814 9.2814 9.3716 9.3716
9.4570 9.4570 10.5570 10.5570 10.6476 10.6476 10.7824 10.7824
12.7327 12.7327
k =-0.2801 0.5175 0.5884 ( 7657 PWs) bands (ev):
-68.7158 -68.7158 -68.7141 -68.7141 -38.4855 -38.4855 -38.4780 -38.4780
-37.3060 -37.3060 -37.2929 -37.2929 -37.2528 -37.2528 -37.2507 -37.2507
-31.0638 -31.0638 -12.3583 -12.3583 -12.0119 -12.0119 -11.9273 -11.9273
0.3243 0.3243 1.9211 1.9211 5.2628 5.2628 6.9132 6.9132
7.0708 7.0708 7.6504 7.6504 8.0707 8.0707 8.5844 8.5844
8.8192 8.8192 9.0189 9.0189 9.2426 9.2426 9.3588 9.3588
9.4391 9.4391 10.5218 10.5218 10.5949 10.5949 10.7843 10.7843
12.7965 12.7965
k =-0.2736 0.5054 0.5747 ( 7649 PWs) bands (ev):
-68.7155 -68.7155 -68.7134 -68.7134 -38.4847 -38.4847 -38.4788 -38.4788
-37.3046 -37.3046 -37.2943 -37.2943 -37.2525 -37.2525 -37.2510 -37.2510
-31.0638 -31.0638 -12.3586 -12.3586 -12.0123 -12.0123 -11.9272 -11.9272
0.3165 0.3165 1.9647 1.9647 5.2395 5.2395 6.8894 6.8894
7.0676 7.0676 7.6319 7.6319 8.0939 8.0939 8.5880 8.5880
8.8555 8.8555 9.0263 9.0263 9.2059 9.2059 9.3517 9.3517
9.4250 9.4250 10.4890 10.4890 10.5455 10.5455 10.7882 10.7882
12.8616 12.8616
k =-0.2671 0.4934 0.5610 ( 7641 PWs) bands (ev):
-68.7153 -68.7153 -68.7126 -68.7126 -38.4838 -38.4838 -38.4796 -38.4796
-37.3031 -37.3031 -37.2957 -37.2957 -37.2523 -37.2523 -37.2512 -37.2512
-31.0637 -31.0637 -12.3588 -12.3588 -12.0125 -12.0125 -11.9271 -11.9271
0.3061 0.3061 2.0075 2.0075 5.2217 5.2217 6.8627 6.8627
7.0671 7.0671 7.6143 7.6143 8.1174 8.1174 8.5883 8.5883
8.8922 8.8922 9.0350 9.0350 9.1689 9.1689 9.3507 9.3507
9.4114 9.4114 10.4560 10.4560 10.4992 10.4992 10.7934 10.7934
12.9223 12.9223
k =-0.2606 0.4814 0.5474 ( 7641 PWs) bands (ev):
-68.7150 -68.7150 -68.7129 -68.7129 -38.4830 -38.4830 -38.4804 -38.4804
-37.3017 -37.3017 -37.2971 -37.2971 -37.2521 -37.2521 -37.2514 -37.2514
-31.0637 -31.0637 -12.3589 -12.3589 -12.0127 -12.0127 -11.9270 -11.9270
0.2929 0.2929 2.0495 2.0495 5.2093 5.2093 6.8328 6.8328
7.0691 7.0691 7.5975 7.5975 8.1396 8.1396 8.5856 8.5856
8.9262 8.9262 9.0434 9.0434 9.1307 9.1307 9.3486 9.3486
9.4019 9.4019 10.4194 10.4194 10.4575 10.4575 10.8003 10.8003
12.8802 12.8802
k =-0.2541 0.4693 0.5337 ( 7643 PWs) bands (ev):
-68.7145 -68.7145 -68.7137 -68.7137 -38.4822 -38.4822 -38.4812 -38.4812
-37.3003 -37.3003 -37.2986 -37.2986 -37.2519 -37.2519 -37.2516 -37.2516
-31.0637 -31.0637 -12.3590 -12.3590 -12.0128 -12.0128 -11.9270 -11.9270
0.2769 0.2769 2.0906 2.0906 5.2022 5.2022 6.8004 6.8004
7.0740 7.0740 7.5803 7.5803 8.1635 8.1635 8.5799 8.5799
8.9621 8.9621 9.0505 9.0505 9.0935 9.0935 9.3477 9.3477
9.3949 9.3949 10.3778 10.3778 10.4242 10.4242 10.8065 10.8065
12.7975 12.7975
k =-0.2475 0.4573 0.5200 ( 7653 PWs) bands (ev):
-68.7152 -68.7152 -68.7142 -68.7142 -38.4821 -38.4821 -38.4814 -38.4814
-37.3000 -37.3000 -37.2989 -37.2989 -37.2518 -37.2518 -37.2517 -37.2517
-31.0637 -31.0637 -12.3590 -12.3590 -12.0128 -12.0128 -11.9269 -11.9269
0.2584 0.2584 2.1305 2.1305 5.2003 5.2003 6.7654 6.7654
7.0822 7.0822 7.5641 7.5641 8.1862 8.1862 8.5689 8.5689
8.9931 8.9931 9.0363 9.0363 9.0771 9.0771 9.3505 9.3505
9.3899 9.3899 10.3333 10.3333 10.3960 10.3960 10.8146 10.8146
12.7125 12.7125
k =-0.2410 0.4453 0.5063 ( 7657 PWs) bands (ev):
-68.7160 -68.7160 -68.7140 -68.7140 -38.4829 -38.4829 -38.4806 -38.4806
-37.3015 -37.3015 -37.2974 -37.2974 -37.2521 -37.2521 -37.2514 -37.2514
-31.0637 -31.0637 -12.3589 -12.3589 -12.0127 -12.0127 -11.9269 -11.9269
0.2372 0.2372 2.1693 2.1693 5.2033 5.2033 6.7287 6.7287
7.0941 7.0941 7.5483 7.5483 8.2106 8.2106 8.5558 8.5558
8.9951 8.9951 9.0303 9.0303 9.0835 9.0835 9.3594 9.3594
9.3898 9.3898 10.2921 10.2921 10.3715 10.3715 10.8235 10.8235
12.6288 12.6288
k =-0.2345 0.4332 0.4926 ( 7661 PWs) bands (ev):
-68.7162 -68.7162 -68.7143 -68.7143 -38.4837 -38.4837 -38.4798 -38.4798
-37.3029 -37.3029 -37.2960 -37.2960 -37.2523 -37.2523 -37.2512 -37.2512
-31.0637 -31.0637 -12.3588 -12.3588 -12.0126 -12.0126 -11.9269 -11.9269
0.2138 0.2138 2.2066 2.2066 5.2110 5.2110 6.6903 6.6903
7.1093 7.1093 7.5333 7.5333 8.2352 8.2352 8.5391 8.5391
8.9596 8.9596 9.0524 9.0524 9.1039 9.1039 9.3734 9.3734
9.3908 9.3908 10.2499 10.2499 10.3486 10.3486 10.8341 10.8341
12.5473 12.5473
k =-0.2280 0.4212 0.4789 ( 7649 PWs) bands (ev):
-68.7154 -68.7154 -68.7135 -68.7135 -38.4845 -38.4845 -38.4790 -38.4790
-37.3043 -37.3043 -37.2945 -37.2945 -37.2525 -37.2525 -37.2510 -37.2510
-31.0638 -31.0638 -12.3586 -12.3586 -12.0123 -12.0123 -11.9269 -11.9269
0.1880 0.1880 2.2426 2.2426 5.2229 5.2229 6.6521 6.6521
7.1281 7.1281 7.5197 7.5197 8.2637 8.2637 8.5218 8.5218
8.9221 8.9221 9.0727 9.0727 9.1381 9.1381 9.3894 9.3894
9.4011 9.4011 10.2105 10.2105 10.3309 10.3309 10.8474 10.8474
12.4679 12.4679
k =-0.2215 0.4092 0.4653 ( 7649 PWs) bands (ev):
-68.7146 -68.7146 -68.7142 -68.7142 -38.4853 -38.4853 -38.4782 -38.4782
-37.3057 -37.3057 -37.2931 -37.2931 -37.2527 -37.2527 -37.2508 -37.2508
-31.0638 -31.0638 -12.3583 -12.3583 -12.0120 -12.0120 -11.9269 -11.9269
0.1602 0.1602 2.2770 2.2770 5.2385 5.2385 6.6135 6.6135
7.1502 7.1502 7.5065 7.5065 8.2889 8.2889 8.5017 8.5017
8.8828 8.8828 9.0877 9.0877 9.1732 9.1732 9.4026 9.4026
9.4158 9.4158 10.1691 10.1691 10.3141 10.3141 10.8620 10.8620
12.3894 12.3894
k =-0.2150 0.3971 0.4516 ( 7667 PWs) bands (ev):
-68.7158 -68.7158 -68.7153 -68.7153 -38.4861 -38.4861 -38.4774 -38.4774
-37.3071 -37.3071 -37.2918 -37.2918 -37.2530 -37.2530 -37.2506 -37.2506
-31.0638 -31.0638 -12.3579 -12.3579 -12.0116 -12.0116 -11.9269 -11.9269
0.1304 0.1304 2.3095 2.3095 5.2569 5.2569 6.5747 6.5747
7.1760 7.1760 7.4934 7.4934 8.3127 8.3127 8.4774 8.4774
8.8405 8.8405 9.0951 9.0951 9.2073 9.2073 9.4107 9.4107
9.4325 9.4325 10.1294 10.1294 10.2956 10.2956 10.8774 10.8774
12.3110 12.3110
k =-0.2085 0.3851 0.4379 ( 7667 PWs) bands (ev):
-68.7156 -68.7156 -68.7155 -68.7155 -38.4869 -38.4869 -38.4766 -38.4766
-37.3085 -37.3085 -37.2903 -37.2903 -37.2532 -37.2532 -37.2503 -37.2503
-31.0639 -31.0639 -12.3575 -12.3575 -12.0111 -12.0111 -11.9269 -11.9269
0.0989 0.0989 2.3403 2.3403 5.2777 5.2777 6.5381 6.5381
7.2059 7.2059 7.4830 7.4830 8.3379 8.3379 8.4527 8.4527
8.8066 8.8066 9.1054 9.1054 9.2443 9.2443 9.4200 9.4200
9.4563 9.4563 10.0949 10.0949 10.2820 10.2820 10.8968 10.8968
12.2346 12.2346
k =-0.2019 0.3731 0.4242 ( 7667 PWs) bands (ev):
-68.7168 -68.7168 -68.7143 -68.7143 -38.4877 -38.4877 -38.4758 -38.4758
-37.3099 -37.3099 -37.2890 -37.2890 -37.2534 -37.2534 -37.2501 -37.2501
-31.0639 -31.0639 -12.3571 -12.3571 -12.0106 -12.0106 -11.9270 -11.9270
0.0660 0.0660 2.3694 2.3694 5.3001 5.3001 6.5046 6.5046
7.2392 7.2392 7.4722 7.4722 8.3628 8.3628 8.4285 8.4285
8.7668 8.7668 9.1218 9.1218 9.2816 9.2816 9.4348 9.4348
9.4762 9.4762 10.0606 10.0606 10.2715 10.2715 10.9169 10.9169
12.1607 12.1607
k =-0.1954 0.3610 0.4105 ( 7667 PWs) bands (ev):
-68.7170 -68.7170 -68.7140 -68.7140 -38.4884 -38.4884 -38.4751 -38.4751
-37.3112 -37.3112 -37.2876 -37.2876 -37.2535 -37.2535 -37.2499 -37.2499
-31.0640 -31.0640 -12.3565 -12.3565 -12.0099 -12.0099 -11.9270 -11.9270
0.0318 0.0318 2.3966 2.3966 5.3228 5.3228 6.4738 6.4738
7.2763 7.2763 7.4621 7.4621 8.3870 8.3870 8.4029 8.4029
8.7299 8.7299 9.1335 9.1335 9.3181 9.3181 9.4502 9.4502
9.5049 9.5049 10.0314 10.0314 10.2615 10.2615 10.9385 10.9385
12.0873 12.0873
k =-0.1889 0.3490 0.3968 ( 7675 PWs) bands (ev):
-68.7173 -68.7173 -68.7148 -68.7148 -38.4892 -38.4892 -38.4743 -38.4743
-37.3126 -37.3126 -37.2862 -37.2862 -37.2538 -37.2538 -37.2497 -37.2497
-31.0641 -31.0641 -12.3560 -12.3560 -12.0092 -12.0092 -11.9271 -11.9271
-0.0035 -0.0035 2.4218 2.4218 5.3446 5.3446 6.4472 6.4472
7.3168 7.3168 7.4508 7.4508 8.3756 8.3756 8.4131 8.4131
8.6926 8.6926 9.1428 9.1428 9.3553 9.3553 9.4642 9.4642
9.5317 9.5317 10.0034 10.0034 10.2524 10.2524 10.9587 10.9587
12.0156 12.0156
k =-0.1824 0.3370 0.3832 ( 7663 PWs) bands (ev):
-68.7175 -68.7175 -68.7130 -68.7130 -38.4899 -38.4899 -38.4736 -38.4736
-37.3138 -37.3138 -37.2849 -37.2849 -37.2539 -37.2539 -37.2495 -37.2495
-31.0641 -31.0641 -12.3553 -12.3553 -12.0085 -12.0085 -11.9271 -11.9271
-0.0396 -0.0396 2.4453 2.4453 5.3647 5.3647 6.4268 6.4268
7.3606 7.3606 7.4432 7.4432 8.3537 8.3537 8.4402 8.4402
8.6597 8.6597 9.1571 9.1571 9.3961 9.3961 9.4835 9.4835
9.5598 9.5598 9.9766 9.9766 10.2466 10.2466 10.9848 10.9848
11.9495 11.9495
k =-0.1759 0.3249 0.3695 ( 7665 PWs) bands (ev):
-68.7177 -68.7177 -68.7130 -68.7130 -38.4906 -38.4906 -38.4728 -38.4728
-37.3151 -37.3151 -37.2836 -37.2836 -37.2541 -37.2541 -37.2493 -37.2493
-31.0642 -31.0642 -12.3547 -12.3547 -12.0076 -12.0076 -11.9272 -11.9272
-0.0763 -0.0763 2.4668 2.4668 5.3816 5.3816 6.4132 6.4132
7.4065 7.4065 7.4361 7.4361 8.3278 8.3278 8.4641 8.4641
8.6256 8.6256 9.1707 9.1707 9.4310 9.4310 9.4989 9.4989
9.5883 9.5883 9.9544 9.9544 10.2424 10.2424 11.0116 11.0116
11.8785 11.8785
k =-0.1694 0.3129 0.3558 ( 7665 PWs) bands (ev):
-68.7180 -68.7180 -68.7127 -68.7127 -38.4914 -38.4914 -38.4721 -38.4721
-37.3163 -37.3163 -37.2823 -37.2823 -37.2543 -37.2543 -37.2491 -37.2491
-31.0643 -31.0643 -12.3540 -12.3540 -12.0068 -12.0068 -11.9273 -11.9273
-0.1134 -0.1134 2.4864 2.4864 5.3942 5.3942 6.4080 6.4080
7.4267 7.4267 7.4588 7.4588 8.3008 8.3008 8.4865 8.4865
8.5955 8.5955 9.1872 9.1872 9.4638 9.4638 9.5141 9.5141
9.6204 9.6204 9.9307 9.9307 10.2414 10.2414 11.0410 11.0410
11.8093 11.8093
k =-0.1629 0.3008 0.3421 ( 7667 PWs) bands (ev):
-68.7187 -68.7187 -68.7123 -68.7123 -38.4921 -38.4921 -38.4714 -38.4714
-37.3175 -37.3175 -37.2810 -37.2810 -37.2545 -37.2545 -37.2489 -37.2489
-31.0644 -31.0644 -12.3532 -12.3532 -12.0058 -12.0058 -11.9274 -11.9274
-0.1508 -0.1508 2.5044 2.5044 5.4015 5.4015 6.4111 6.4111
7.4208 7.4208 7.5101 7.5101 8.2777 8.2777 8.5092 8.5092
8.5631 8.5631 9.2006 9.2006 9.4982 9.4982 9.5294 9.5294
9.6448 9.6448 9.9148 9.9148 10.2415 10.2415 11.0715 11.0715
11.7435 11.7435
k =-0.1563 0.2888 0.3284 ( 7659 PWs) bands (ev):
-68.7179 -68.7179 -68.7121 -68.7121 -38.4927 -38.4927 -38.4707 -38.4707
-37.3187 -37.3187 -37.2798 -37.2798 -37.2546 -37.2546 -37.2487 -37.2487
-31.0645 -31.0645 -12.3525 -12.3525 -12.0048 -12.0048 -11.9274 -11.9274
-0.1881 -0.1881 2.5205 2.5205 5.4032 5.4032 6.4232 6.4232
7.4155 7.4155 7.5639 7.5639 8.2540 8.2540 8.5212 8.5212
8.5499 8.5499 9.2148 9.2148 9.5290 9.5290 9.5505 9.5505
9.6754 9.6754 9.9035 9.9035 10.2440 10.2440 11.1039 11.1039
11.6798 11.6798
k =-0.1498 0.2768 0.3147 ( 7659 PWs) bands (ev):
-68.7187 -68.7187 -68.7113 -68.7113 -38.4934 -38.4934 -38.4700 -38.4700
-37.3198 -37.3198 -37.2786 -37.2786 -37.2548 -37.2548 -37.2485 -37.2485
-31.0646 -31.0646 -12.3517 -12.3517 -12.0038 -12.0038 -11.9275 -11.9275
-0.2252 -0.2252 2.5347 2.5347 5.3989 5.3989 6.4443 6.4443
7.4109 7.4109 7.6186 7.6186 8.2338 8.2338 8.4976 8.4976
8.5670 8.5670 9.2285 9.2285 9.5456 9.5456 9.5809 9.5809
9.6995 9.6995 9.8927 9.8927 10.2487 10.2487 11.1388 11.1388
11.6180 11.6180
k =-0.1433 0.2647 0.3010 ( 7655 PWs) bands (ev):
-68.7179 -68.7179 -68.7117 -68.7117 -38.4940 -38.4940 -38.4694 -38.4694
-37.3210 -37.3210 -37.2774 -37.2774 -37.2549 -37.2549 -37.2483 -37.2483
-31.0647 -31.0647 -12.3509 -12.3509 -12.0028 -12.0028 -11.9276 -11.9276
-0.2619 -0.2619 2.5475 2.5475 5.3893 5.3893 6.4743 6.4743
7.4050 7.4050 7.6736 7.6736 8.2155 8.2155 8.4702 8.4702
8.5887 8.5887 9.2439 9.2439 9.5556 9.5556 9.6124 9.6124
9.7340 9.7340 9.8914 9.8914 10.2568 10.2568 11.1726 11.1726
11.5528 11.5528
k =-0.1368 0.2527 0.2874 ( 7657 PWs) bands (ev):
-68.7189 -68.7189 -68.7110 -68.7110 -38.4947 -38.4947 -38.4688 -38.4688
-37.3220 -37.3220 -37.2763 -37.2763 -37.2551 -37.2551 -37.2481 -37.2481
-31.0648 -31.0648 -12.3501 -12.3501 -12.0017 -12.0017 -11.9277 -11.9277
-0.2981 -0.2981 2.5587 2.5587 5.3745 5.3745 6.5113 6.5113
7.4011 7.4011 7.7272 7.7272 8.2011 8.2011 8.4433 8.4433
8.6120 8.6120 9.2563 9.2563 9.5615 9.5615 9.6470 9.6470
9.7591 9.7591 9.8874 9.8874 10.2631 10.2631 11.2099 11.2099
11.4947 11.4947
k =-0.1303 0.2407 0.2737 ( 7657 PWs) bands (ev):
-68.7191 -68.7191 -68.7108 -68.7108 -38.4952 -38.4952 -38.4682 -38.4682
-37.3231 -37.3231 -37.2752 -37.2752 -37.2552 -37.2552 -37.2479 -37.2479
-31.0649 -31.0649 -12.3493 -12.3493 -12.0006 -12.0006 -11.9278 -11.9278
-0.3336 -0.3336 2.5685 2.5685 5.3558 5.3558 6.5546 6.5546
7.3971 7.3971 7.7772 7.7772 8.1925 8.1925 8.4156 8.4156
8.6348 8.6348 9.2676 9.2676 9.5653 9.5653 9.6811 9.6811
9.7862 9.7862 9.8920 9.8920 10.2754 10.2754 11.2482 11.2482
11.4372 11.4372
k =-0.1238 0.2286 0.2600 ( 7653 PWs) bands (ev):
-68.7188 -68.7188 -68.7106 -68.7106 -38.4958 -38.4958 -38.4676 -38.4676
-37.3241 -37.3241 -37.2741 -37.2741 -37.2553 -37.2553 -37.2477 -37.2477
-31.0650 -31.0650 -12.3485 -12.3485 -11.9995 -11.9995 -11.9278 -11.9278
-0.3682 -0.3682 2.5769 2.5769 5.3339 5.3339 6.6030 6.6030
7.3938 7.3938 7.8207 7.8207 8.1928 8.1928 8.3892 8.3892
8.6560 8.6560 9.2786 9.2786 9.5678 9.5678 9.7128 9.7128
9.8185 9.8185 9.9041 9.9041 10.2913 10.2913 11.2877 11.2877
11.3814 11.3814
k =-0.1173 0.2166 0.2463 ( 7665 PWs) bands (ev):
-68.7200 -68.7200 -68.7109 -68.7109 -38.4964 -38.4964 -38.4670 -38.4670
-37.3251 -37.3251 -37.2731 -37.2731 -37.2555 -37.2555 -37.2476 -37.2476
-31.0651 -31.0651 -12.3477 -12.3477 -11.9985 -11.9985 -11.9279 -11.9279
-0.4018 -0.4018 2.5841 2.5841 5.3098 5.3098 6.6553 6.6553
7.3903 7.3903 7.8540 7.8540 8.2043 8.2043 8.3594 8.3594
8.6764 8.6764 9.2870 9.2870 9.5641 9.5641 9.7432 9.7432
9.8414 9.8414 9.9130 9.9130 10.3091 10.3091 11.3162 11.3162
11.3361 11.3361
k =-0.1107 0.2046 0.2326 ( 7659 PWs) bands (ev):
-68.7195 -68.7195 -68.7107 -68.7107 -38.4969 -38.4969 -38.4665 -38.4665
-37.3260 -37.3260 -37.2721 -37.2721 -37.2556 -37.2556 -37.2474 -37.2474
-31.0652 -31.0652 -12.3470 -12.3470 -11.9974 -11.9974 -11.9279 -11.9279
-0.4343 -0.4343 2.5901 2.5901 5.2843 5.2843 6.7108 6.7108
7.3883 7.3883 7.8757 7.8757 8.2293 8.2293 8.3394 8.3394
8.6977 8.6977 9.2971 9.2971 9.5617 9.5617 9.7759 9.7759
9.8676 9.8676 9.9303 9.9303 10.3305 10.3305 11.2691 11.2691
11.3733 11.3733
k =-0.1042 0.1925 0.2189 ( 7651 PWs) bands (ev):
-68.7192 -68.7192 -68.7100 -68.7100 -38.4974 -38.4974 -38.4659 -38.4659
-37.3268 -37.3268 -37.2712 -37.2712 -37.2557 -37.2557 -37.2472 -37.2472
-31.0653 -31.0653 -12.3462 -12.3462 -11.9963 -11.9963 -11.9280 -11.9280
-0.4655 -0.4655 2.5952 2.5952 5.2579 5.2579 6.7684 6.7684
7.3867 7.3867 7.8863 7.8863 8.2662 8.2662 8.3186 8.3186
8.7197 8.7197 9.3048 9.3048 9.5590 9.5590 9.8109 9.8109
9.8922 9.8922 9.9506 9.9506 10.3554 10.3554 11.2218 11.2218
11.4169 11.4169
k =-0.0977 0.1805 0.2053 ( 7655 PWs) bands (ev):
-68.7194 -68.7194 -68.7103 -68.7103 -38.4979 -38.4979 -38.4655 -38.4655
-37.3277 -37.3277 -37.2703 -37.2703 -37.2558 -37.2558 -37.2471 -37.2471
-31.0654 -31.0654 -12.3455 -12.3455 -11.9952 -11.9952 -11.9280 -11.9280
-0.4954 -0.4954 2.5992 2.5992 5.2313 5.2313 6.8255 6.8255
7.3856 7.3856 7.8861 7.8861 8.2913 8.2913 8.3180 8.3180
8.7394 8.7394 9.3100 9.3100 9.5530 9.5530 9.8426 9.8426
9.9140 9.9140 9.9710 9.9710 10.3814 10.3814 11.1733 11.1733
11.4624 11.4624
k =-0.0912 0.1685 0.1916 ( 7657 PWs) bands (ev):
-68.7199 -68.7199 -68.7102 -68.7102 -38.4983 -38.4983 -38.4650 -38.4650
-37.3284 -37.3284 -37.2695 -37.2695 -37.2560 -37.2560 -37.2470 -37.2470
-31.0655 -31.0655 -12.3448 -12.3448 -11.9942 -11.9942 -11.9280 -11.9280
-0.5238 -0.5238 2.6026 2.6026 5.2049 5.2049 6.8829 6.8829
7.3838 7.3838 7.8822 7.8822 8.2726 8.2726 8.3686 8.3686
8.7583 8.7583 9.3140 9.3140 9.5489 9.5489 9.8736 9.8736
9.9352 9.9352 9.9908 9.9908 10.4109 10.4109 11.1268 11.1268
11.5072 11.5072
k =-0.0847 0.1564 0.1779 ( 7663 PWs) bands (ev):
-68.7206 -68.7206 -68.7103 -68.7103 -38.4988 -38.4988 -38.4646 -38.4646
-37.3292 -37.3292 -37.2687 -37.2687 -37.2561 -37.2561 -37.2468 -37.2468
-31.0655 -31.0655 -12.3441 -12.3441 -11.9933 -11.9933 -11.9280 -11.9280
-0.5507 -0.5507 2.6051 2.6051 5.1789 5.1789 6.9403 6.9403
7.3834 7.3834 7.8720 7.8720 8.2522 8.2522 8.4240 8.4240
8.7756 8.7756 9.3172 9.3172 9.5410 9.5410 9.9029 9.9029
9.9550 9.9550 10.0117 10.0117 10.4440 10.4440 11.0814 11.0814
11.5538 11.5538
k =-0.0782 0.1444 0.1642 ( 7651 PWs) bands (ev):
-68.7202 -68.7202 -68.7091 -68.7091 -38.4991 -38.4991 -38.4642 -38.4642
-37.3298 -37.3298 -37.2680 -37.2680 -37.2561 -37.2561 -37.2467 -37.2467
-31.0656 -31.0656 -12.3435 -12.3435 -11.9923 -11.9923 -11.9280 -11.9280
-0.5759 -0.5759 2.6073 2.6073 5.1542 5.1542 6.9967 6.9967
7.3848 7.3848 7.8650 7.8650 8.2350 8.2350 8.4811 8.4811
8.7932 8.7932 9.3204 9.3204 9.5386 9.5386 9.9332 9.9332
9.9796 9.9796 10.0353 10.0353 10.4807 10.4807 11.0390 11.0390
11.6025 11.6025
k =-0.0717 0.1324 0.1505 ( 7655 PWs) bands (ev):
-68.7206 -68.7206 -68.7092 -68.7092 -38.4995 -38.4995 -38.4638 -38.4638
-37.3304 -37.3304 -37.2673 -37.2673 -37.2562 -37.2562 -37.2466 -37.2466
-31.0657 -31.0657 -12.3429 -12.3429 -11.9914 -11.9914 -11.9280 -11.9280
-0.5993 -0.5993 2.6089 2.6089 5.1306 5.1306 7.0499 7.0499
7.3843 7.3843 7.8555 7.8555 8.2175 8.2175 8.5364 8.5364
8.8093 8.8093 9.3222 9.3222 9.5301 9.5301 9.9615 9.9615
9.9988 9.9988 10.0551 10.0551 10.5191 10.5191 10.9972 10.9972
11.6484 11.6484
k =-0.0651 0.1203 0.1368 ( 7649 PWs) bands (ev):
-68.7210 -68.7210 -68.7081 -68.7081 -38.4998 -38.4998 -38.4635 -38.4635
-37.3310 -37.3310 -37.2667 -37.2667 -37.2563 -37.2563 -37.2465 -37.2465
-31.0658 -31.0658 -12.3424 -12.3424 -11.9906 -11.9906 -11.9280 -11.9280
-0.6210 -0.6210 2.6102 2.6102 5.1082 5.1082 7.1029 7.1029
7.3844 7.3844 7.8469 7.8469 8.2019 8.2019 8.5913 8.5913
8.8231 8.8231 9.3220 9.3220 9.5274 9.5274 9.9874 9.9874
10.0207 10.0207 10.0744 10.0744 10.5616 10.5616 10.9612 10.9612
11.6942 11.6942
k =-0.0586 0.1083 0.1232 ( 7643 PWs) bands (ev):
-68.7201 -68.7201 -68.7082 -68.7082 -38.5001 -38.5001 -38.4631 -38.4631
-37.3315 -37.3315 -37.2661 -37.2661 -37.2564 -37.2564 -37.2464 -37.2464
-31.0658 -31.0658 -12.3419 -12.3419 -11.9898 -11.9898 -11.9280 -11.9280
-0.6407 -0.6407 2.6108 2.6108 5.0877 5.0877 7.1508 7.1508
7.3847 7.3847 7.8350 7.8350 8.1923 8.1923 8.6428 8.6428
8.8384 8.8384 9.3235 9.3235 9.5231 9.5231 10.0151 10.0151
10.0424 10.0424 10.0946 10.0946 10.6046 10.6046 10.9240 10.9240
11.7389 11.7389
k =-0.0521 0.0963 0.1095 ( 7641 PWs) bands (ev):
-68.7202 -68.7202 -68.7079 -68.7079 -38.5004 -38.5004 -38.4629 -38.4629
-37.3320 -37.3320 -37.2656 -37.2656 -37.2564 -37.2564 -37.2463 -37.2463
-31.0659 -31.0659 -12.3414 -12.3414 -11.9891 -11.9891 -11.9280 -11.9280
-0.6586 -0.6586 2.6113 2.6113 5.0691 5.0691 7.1960 7.1960
7.3850 7.3850 7.8254 7.8254 8.1790 8.1790 8.6897 8.6897
8.8518 8.8518 9.3238 9.3238 9.5190 9.5190 10.0396 10.0396
10.0615 10.0615 10.1119 10.1119 10.6489 10.6489 10.8891 10.8891
11.7818 11.7818
k =-0.0456 0.0842 0.0958 ( 7637 PWs) bands (ev):
-68.7198 -68.7198 -68.7078 -68.7078 -38.5007 -38.5007 -38.4626 -38.4626
-37.3324 -37.3324 -37.2652 -37.2652 -37.2565 -37.2565 -37.2462 -37.2462
-31.0660 -31.0660 -12.3410 -12.3410 -11.9885 -11.9885 -11.9280 -11.9280
-0.6744 -0.6744 2.6115 2.6115 5.0524 5.0524 7.2358 7.2358
7.3857 7.3857 7.8164 7.8164 8.1674 8.1674 8.7328 8.7328
8.8647 8.8647 9.3241 9.3241 9.5157 9.5157 10.0626 10.0626
10.0816 10.0816 10.1298 10.1298 10.6924 10.6924 10.8570 10.8570
11.8223 11.8223
k =-0.0391 0.0722 0.0821 ( 7635 PWs) bands (ev):
-68.7199 -68.7199 -68.7074 -68.7074 -38.5009 -38.5009 -38.4624 -38.4624
-37.3327 -37.3327 -37.2648 -37.2648 -37.2565 -37.2565 -37.2461 -37.2461
-31.0660 -31.0660 -12.3406 -12.3406 -11.9880 -11.9880 -11.9279 -11.9279
-0.6882 -0.6882 2.6117 2.6117 5.0378 5.0378 7.2707 7.2707
7.3869 7.3869 7.8093 7.8093 8.1571 8.1571 8.7691 8.7691
8.8769 8.8769 9.3241 9.3241 9.5122 9.5122 10.0832 10.0832
10.0973 10.0973 10.1447 10.1447 10.7342 10.7342 10.8293 10.8293
11.8596 11.8596
k =-0.0326 0.0602 0.0684 ( 7635 PWs) bands (ev):
-68.7200 -68.7200 -68.7073 -68.7073 -38.5010 -38.5010 -38.4622 -38.4622
-37.3330 -37.3330 -37.2644 -37.2644 -37.2566 -37.2566 -37.2461 -37.2461
-31.0661 -31.0661 -12.3403 -12.3403 -11.9875 -11.9875 -11.9279 -11.9279
-0.7000 -0.7000 2.6118 2.6118 5.0252 5.0252 7.3000 7.3000
7.3882 7.3882 7.8031 7.8031 8.1483 8.1483 8.7989 8.7989
8.8889 8.8889 9.3240 9.3240 9.5091 9.5091 10.1009 10.1009
10.1113 10.1113 10.1582 10.1582 10.7728 10.7728 10.8032 10.8032
11.8918 11.8918
k =-0.0261 0.0481 0.0547 ( 7623 PWs) bands (ev):
-68.7206 -68.7206 -68.7052 -68.7052 -38.5011 -38.5011 -38.4621 -38.4621
-37.3332 -37.3332 -37.2642 -37.2642 -37.2565 -37.2565 -37.2460 -37.2460
-31.0661 -31.0661 -12.3401 -12.3401 -11.9871 -11.9871 -11.9279 -11.9279
-0.7097 -0.7097 2.6119 2.6119 5.0142 5.0142 7.3280 7.3280
7.3941 7.3941 7.8005 7.8005 8.1411 8.1411 8.8218 8.8218
8.9001 8.9001 9.3195 9.3195 9.5087 9.5087 10.1147 10.1147
10.1234 10.1234 10.1702 10.1702 10.7843 10.7843 10.8100 10.8100
11.9220 11.9220
k =-0.0195 0.0361 0.0411 ( 7619 PWs) bands (ev):
-68.7206 -68.7206 -68.7046 -68.7046 -38.5013 -38.5013 -38.4620 -38.4620
-37.3334 -37.3334 -37.2639 -37.2639 -37.2566 -37.2566 -37.2460 -37.2460
-31.0661 -31.0661 -12.3399 -12.3399 -11.9868 -11.9868 -11.9279 -11.9279
-0.7172 -0.7172 2.6122 2.6122 5.0058 5.0058 7.3457 7.3457
7.3981 7.3981 7.7999 7.7999 8.1372 8.1372 8.8373 8.8373
8.9108 8.9108 9.3190 9.3190 9.5071 9.5071 10.1267 10.1267
10.1324 10.1324 10.1802 10.1802 10.7627 10.7627 10.8383 10.8383
11.9409 11.9409
k =-0.0130 0.0241 0.0274 ( 7615 PWs) bands (ev):
-68.7201 -68.7201 -68.7046 -68.7046 -38.5013 -38.5013 -38.4619 -38.4619
-37.3336 -37.3336 -37.2638 -37.2638 -37.2566 -37.2566 -37.2460 -37.2460
-31.0661 -31.0661 -12.3397 -12.3397 -11.9866 -11.9866 -11.9279 -11.9279
-0.7226 -0.7226 2.6121 2.6121 5.0004 5.0004 7.3560 7.3560
7.4026 7.4026 7.7967 7.7967 8.1336 8.1336 8.8491 8.8491
8.9212 8.9212 9.3206 9.3206 9.5055 9.5055 10.1330 10.1330
10.1428 10.1428 10.1886 10.1886 10.7496 10.7496 10.8598 10.8598
11.9516 11.9516
k =-0.0065 0.0120 0.0137 ( 7613 PWs) bands (ev):
-68.7202 -68.7202 -68.7043 -68.7043 -38.5014 -38.5014 -38.4618 -38.4618
-37.3336 -37.3336 -37.2637 -37.2637 -37.2566 -37.2566 -37.2460 -37.2460
-31.0661 -31.0661 -12.3397 -12.3397 -11.9865 -11.9865 -11.9279 -11.9279
-0.7259 -0.7259 2.6120 2.6120 4.9962 4.9962 7.3611 7.3611
7.4063 7.4063 7.7944 7.7944 8.1331 8.1331 8.8551 8.8551
8.9269 8.9269 9.3171 9.3171 9.5058 9.5058 10.1389 10.1389
10.1480 10.1480 10.1945 10.1945 10.7464 10.7464 10.8732 10.8732
11.9562 11.9562
k = 0.0000 0.0000 0.0000 ( 7605 PWs) bands (ev):
-68.7191 -68.7191 -68.7043 -68.7043 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2636 -37.2636 -37.2566 -37.2566 -37.2459 -37.2459
-31.0662 -31.0662 -12.3396 -12.3396 -11.9864 -11.9864 -11.9278 -11.9278
-0.7269 -0.7269 2.6123 2.6123 4.9955 4.9955 7.3618 7.3618
7.4068 7.4068 7.7973 7.7973 8.1328 8.1328 8.8585 8.8585
8.9303 8.9303 9.3203 9.3203 9.5074 9.5074 10.1440 10.1440
10.1520 10.1520 10.1991 10.1991 10.7372 10.7372 10.8778 10.8778
11.9562 11.9562
k = 0.0000 0.0000 0.0000 ( 7605 PWs) bands (ev):
-68.7191 -68.7191 -68.7043 -68.7043 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2636 -37.2636 -37.2566 -37.2566 -37.2459 -37.2459
-31.0662 -31.0662 -12.3396 -12.3396 -11.9864 -11.9864 -11.9278 -11.9278
-0.7269 -0.7269 2.6123 2.6123 4.9955 4.9955 7.3618 7.3618
7.4068 7.4068 7.7973 7.7973 8.1328 8.1328 8.8585 8.8585
8.9303 8.9303 9.3203 9.3203 9.5074 9.5074 10.1440 10.1440
10.1520 10.1520 10.1991 10.1991 10.7372 10.7372 10.8778 10.8778
11.9562 11.9562
k = 0.0172 0.0093 0.0000 ( 7613 PWs) bands (ev):
-68.7202 -68.7202 -68.7043 -68.7043 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0662 -31.0662 -12.3396 -12.3396 -11.9864 -11.9864 -11.9279 -11.9279
-0.7257 -0.7257 2.6062 2.6062 5.0023 5.0023 7.3623 7.3623
7.4073 7.4073 7.7970 7.7970 8.1318 8.1318 8.8548 8.8548
8.9265 8.9265 9.3235 9.3235 9.5046 9.5046 10.1368 10.1368
10.1480 10.1480 10.1938 10.1938 10.7373 10.7373 10.8817 10.8817
11.9601 11.9601
k = 0.0345 0.0187 0.0000 ( 7605 PWs) bands (ev):
-68.7202 -68.7202 -68.7033 -68.7033 -38.5014 -38.5014 -38.4618 -38.4618
-37.3336 -37.3336 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3396 -12.3396 -11.9864 -11.9864 -11.9279 -11.9279
-0.7219 -0.7219 2.5882 2.5882 5.0212 5.0212 7.3648 7.3648
7.4098 7.4098 7.7963 7.7963 8.1320 8.1320 8.8499 8.8499
8.9217 8.9217 9.3257 9.3257 9.4984 9.4984 10.1366 10.1366
10.1468 10.1468 10.1931 10.1931 10.7495 10.7495 10.8934 10.8934
11.9727 11.9727
k = 0.0517 0.0280 0.0000 ( 7593 PWs) bands (ev):
-68.7192 -68.7192 -68.7027 -68.7027 -38.5014 -38.5014 -38.4618 -38.4618
-37.3336 -37.3336 -37.2637 -37.2637 -37.2565 -37.2565 -37.2459 -37.2459
-31.0661 -31.0661 -12.3396 -12.3396 -11.9864 -11.9864 -11.9279 -11.9279
-0.7155 -0.7155 2.5590 2.5590 5.0525 5.0525 7.3676 7.3676
7.4123 7.4123 7.7952 7.7952 8.1326 8.1326 8.8440 8.8440
8.9156 8.9156 9.3326 9.3326 9.4913 9.4913 10.1379 10.1379
10.1483 10.1483 10.1949 10.1949 10.7494 10.7494 10.9127 10.9127
11.9917 11.9917
k = 0.0690 0.0373 0.0000 ( 7601 PWs) bands (ev):
-68.7192 -68.7192 -68.7037 -68.7037 -38.5014 -38.5014 -38.4618 -38.4618
-37.3336 -37.3336 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3397 -12.3397 -11.9864 -11.9864 -11.9280 -11.9280
-0.7066 -0.7066 2.5194 2.5194 5.0939 5.0939 7.3686 7.3686
7.4130 7.4130 7.7937 7.7937 8.1330 8.1330 8.8328 8.8328
8.9044 8.9044 9.3381 9.3381 9.4722 9.4722 10.1375 10.1375
10.1459 10.1459 10.1937 10.1937 10.7459 10.7459 10.9386 10.9386
12.0143 12.0143
k = 0.0862 0.0467 0.0000 ( 7609 PWs) bands (ev):
-68.7203 -68.7203 -68.7037 -68.7037 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3397 -12.3397 -11.9864 -11.9864 -11.9280 -11.9280
-0.6953 -0.6953 2.4707 2.4707 5.1447 5.1447 7.3720 7.3720
7.4160 7.4160 7.7911 7.7911 8.1295 8.1295 8.8181 8.8181
8.8897 8.8897 9.3433 9.3433 9.4575 9.4575 10.1323 10.1323
10.1421 10.1421 10.1897 10.1897 10.7437 10.7437 10.9714 10.9714
12.0454 12.0454
k = 0.1034 0.0560 0.0000 ( 7609 PWs) bands (ev):
-68.7203 -68.7203 -68.7037 -68.7037 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3397 -12.3397 -11.9864 -11.9864 -11.9281 -11.9281
-0.6815 -0.6815 2.4142 2.4142 5.2034 5.2034 7.3777 7.3777
7.4214 7.4214 7.7897 7.7897 8.1300 8.1300 8.8013 8.8013
8.8728 8.8728 9.3526 9.3526 9.4316 9.4316 10.1318 10.1318
10.1392 10.1392 10.1883 10.1883 10.7437 10.7437 11.0091 11.0091
12.0846 12.0846
k = 0.1207 0.0653 0.0000 ( 7617 PWs) bands (ev):
-68.7203 -68.7203 -68.7047 -68.7047 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3397 -12.3397 -11.9864 -11.9864 -11.9282 -11.9282
-0.6652 -0.6652 2.3510 2.3510 5.2683 5.2683 7.3816 7.3816
7.4248 7.4248 7.7873 7.7873 8.1307 8.1307 8.7817 8.7817
8.8533 8.8533 9.3638 9.3638 9.4031 9.4031 10.1313 10.1313
10.1363 10.1363 10.1871 10.1871 10.7433 10.7433 11.0512 11.0512
12.1263 12.1263
k = 0.1379 0.0747 0.0000 ( 7613 PWs) bands (ev):
-68.7198 -68.7198 -68.7047 -68.7047 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3397 -12.3397 -11.9864 -11.9864 -11.9283 -11.9283
-0.6465 -0.6465 2.2826 2.2826 5.3388 5.3388 7.3894 7.3894
7.4320 7.4320 7.7874 7.7874 8.1314 8.1314 8.7600 8.7600
8.8317 8.8317 9.3728 9.3728 9.3815 9.3815 10.1309 10.1309
10.1341 10.1341 10.1863 10.1863 10.7433 10.7433 11.0971 11.0971
12.1767 12.1767
k = 0.1552 0.0840 0.0000 ( 7621 PWs) bands (ev):
-68.7208 -68.7208 -68.7047 -68.7047 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3398 -12.3398 -11.9864 -11.9864 -11.9284 -11.9284
-0.6254 -0.6254 2.2098 2.2098 5.4119 5.4119 7.3980 7.3980
7.4401 7.4401 7.7881 7.7881 8.1316 8.1316 8.7339 8.7339
8.8058 8.8058 9.3414 9.3414 9.3966 9.3966 10.1264 10.1264
10.1276 10.1276 10.1816 10.1816 10.7433 10.7433 11.1460 11.1460
12.2320 12.2320
k = 0.1724 0.0933 0.0000 ( 7609 PWs) bands (ev):
-68.7197 -68.7197 -68.7042 -68.7042 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3398 -12.3398 -11.9864 -11.9864 -11.9285 -11.9285
-0.6020 -0.6020 2.1338 2.1338 5.4877 5.4877 7.4089 7.4089
7.4504 7.4504 7.7915 7.7915 8.1339 8.1339 8.7099 8.7099
8.7820 8.7820 9.3093 9.3093 9.4156 9.4156 10.1278 10.1278
10.1294 10.1294 10.1838 10.1838 10.7433 10.7433 11.1971 11.1971
12.2928 12.2928
k = 0.1897 0.1027 0.0000 ( 7601 PWs) bands (ev):
-68.7197 -68.7197 -68.7031 -68.7031 -38.5014 -38.5014 -38.4618 -38.4618
-37.3336 -37.3336 -37.2637 -37.2637 -37.2565 -37.2565 -37.2459 -37.2459
-31.0661 -31.0661 -12.3398 -12.3398 -11.9864 -11.9864 -11.9286 -11.9286
-0.5764 -0.5764 2.0553 2.0553 5.5638 5.5638 7.4220 7.4220
7.4629 7.4629 7.7955 7.7955 8.1347 8.1347 8.6822 8.6822
8.7547 8.7547 9.2791 9.2791 9.4358 9.4358 10.1270 10.1270
10.1282 10.1282 10.1835 10.1835 10.7446 10.7446 11.2505 11.2505
12.3588 12.3588
k = 0.2069 0.1120 0.0000 ( 7597 PWs) bands (ev):
-68.7192 -68.7192 -68.7031 -68.7031 -38.5014 -38.5014 -38.4618 -38.4618
-37.3336 -37.3336 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3399 -12.3399 -11.9864 -11.9864 -11.9288 -11.9288
-0.5486 -0.5486 1.9751 1.9751 5.6396 5.6396 7.4336 7.4336
7.4737 7.4737 7.8020 7.8020 8.1357 8.1357 8.6539 8.6539
8.7269 8.7269 9.2399 9.2399 9.4589 9.4589 10.1282 10.1282
10.1298 10.1298 10.1856 10.1856 10.7558 10.7558 11.3008 11.3008
12.4250 12.4250
k = 0.2241 0.1213 0.0000 ( 7601 PWs) bands (ev):
-68.7197 -68.7197 -68.7031 -68.7031 -38.5014 -38.5014 -38.4618 -38.4618
-37.3336 -37.3336 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3399 -12.3399 -11.9864 -11.9864 -11.9289 -11.9289
-0.5188 -0.5188 1.8938 1.8938 5.7137 5.7137 7.4458 7.4458
7.4850 7.4850 7.8102 7.8102 8.1337 8.1337 8.6230 8.6230
8.6966 8.6966 9.2083 9.2083 9.4843 9.4843 10.1262 10.1262
10.1292 10.1292 10.1849 10.1849 10.7558 10.7558 11.3542 11.3542
12.4932 12.4932
k = 0.2414 0.1307 0.0000 ( 7625 PWs) bands (ev):
-68.7207 -68.7207 -68.7051 -68.7051 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3399 -12.3399 -11.9864 -11.9864 -11.9290 -11.9290
-0.4870 -0.4870 1.8120 1.8120 5.7846 5.7846 7.4540 7.4540
7.4920 7.4920 7.8195 7.8195 8.1321 8.1321 8.5900 8.5900
8.6643 8.6643 9.1775 9.1775 9.5129 9.5129 10.1218 10.1218
10.1264 10.1264 10.1821 10.1821 10.7478 10.7478 11.4075 11.4075
12.5576 12.5576
k = 0.2586 0.1400 0.0000 ( 7625 PWs) bands (ev):
-68.7196 -68.7196 -68.7061 -68.7061 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2567 -37.2567 -37.2459 -37.2459
-31.0661 -31.0661 -12.3400 -12.3400 -11.9864 -11.9864 -11.9292 -11.9292
-0.4533 -0.4533 1.7303 1.7303 5.8525 5.8525 7.4652 7.4652
7.5020 7.5020 7.8332 7.8332 8.1334 8.1334 8.5583 8.5583
8.6334 8.6334 9.1452 9.1452 9.5469 9.5469 10.1225 10.1225
10.1341 10.1341 10.1890 10.1890 10.7476 10.7476 11.4581 11.4581
12.6259 12.6259
k = 0.2759 0.1493 0.0000 ( 7633 PWs) bands (ev):
-68.7206 -68.7206 -68.7061 -68.7061 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2567 -37.2567 -37.2459 -37.2459
-31.0661 -31.0661 -12.3400 -12.3400 -11.9864 -11.9864 -11.9293 -11.9293
-0.4180 -0.4180 1.6492 1.6492 5.9164 5.9164 7.4793 7.4793
7.5150 7.5150 7.8493 7.8493 8.1325 8.1325 8.5251 8.5251
8.6012 8.6012 9.1170 9.1170 9.5819 9.5819 10.1194 10.1194
10.1304 10.1304 10.1857 10.1857 10.7476 10.7476 11.5092 11.5092
12.6970 12.6970
k = 0.2931 0.1587 0.0000 ( 7641 PWs) bands (ev):
-68.7205 -68.7205 -68.7071 -68.7071 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2567 -37.2567 -37.2459 -37.2459
-31.0661 -31.0661 -12.3400 -12.3400 -11.9864 -11.9864 -11.9294 -11.9294
-0.3812 -0.3812 1.5692 1.5692 5.9742 5.9742 7.4927 7.4927
7.5270 7.5270 7.8665 7.8665 8.1335 8.1335 8.4932 8.4932
8.5705 8.5705 9.0890 9.0890 9.6202 9.6202 10.1204 10.1204
10.1311 10.1311 10.1868 10.1868 10.7441 10.7441 11.5581 11.5581
12.7660 12.7660
k = 0.3103 0.1680 0.0000 ( 7649 PWs) bands (ev):
-68.7225 -68.7225 -68.7060 -68.7060 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2638 -37.2638 -37.2566 -37.2566 -37.2460 -37.2460
-31.0661 -31.0661 -12.3401 -12.3401 -11.9864 -11.9864 -11.9296 -11.9296
-0.3432 -0.3432 1.4906 1.4906 6.0278 6.0278 7.5097 7.5097
7.5428 7.5428 7.8865 7.8865 8.1282 8.1282 8.4599 8.4599
8.5382 8.5382 9.0677 9.0677 9.6610 9.6610 10.1143 10.1143
10.1262 10.1262 10.1821 10.1821 10.7445 10.7445 11.6081 11.6081
12.8371 12.8371
k = 0.3276 0.1773 0.0000 ( 7617 PWs) bands (ev):
-68.7195 -68.7195 -68.7050 -68.7050 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3401 -12.3401 -11.9864 -11.9864 -11.9297 -11.9297
-0.3042 -0.3042 1.4144 1.4144 6.0765 6.0765 7.5260 7.5260
7.5578 7.5578 7.9117 7.9117 8.1330 8.1330 8.4332 8.4332
8.5129 8.5129 9.0506 9.0506 9.7082 9.7082 10.1298 10.1298
10.1347 10.1347 10.1927 10.1927 10.7446 10.7446 11.6579 11.6579
12.9047 12.9047
k = 0.3448 0.1867 0.0000 ( 7609 PWs) bands (ev):
-68.7195 -68.7195 -68.7040 -68.7040 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3401 -12.3401 -11.9863 -11.9863 -11.9298 -11.9298
-0.2646 -0.2646 1.3406 1.3406 6.1195 6.1195 7.5436 7.5436
7.5740 7.5740 7.9355 7.9355 8.1337 8.1337 8.4036 8.4036
8.4848 8.4848 9.0292 9.0292 9.7563 9.7563 10.1314 10.1314
10.1354 10.1354 10.1941 10.1941 10.7508 10.7508 11.6998 11.6998
12.9700 12.9700
k = 0.3621 0.1960 0.0000 ( 7609 PWs) bands (ev):
-68.7194 -68.7194 -68.7040 -68.7040 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0661 -31.0661 -12.3402 -12.3402 -11.9863 -11.9863 -11.9299 -11.9299
-0.2250 -0.2250 1.2700 1.2700 6.1566 6.1566 7.5587 7.5587
7.5874 7.5874 7.9593 7.9593 8.1344 8.1344 8.3753 8.3753
8.4579 8.4579 9.0097 9.0097 9.8066 9.8066 10.1330 10.1330
10.1361 10.1361 10.1956 10.1956 10.7508 10.7508 11.7383 11.7383
13.0249 13.0249
k = 0.3793 0.2053 0.0000 ( 7609 PWs) bands (ev):
-68.7194 -68.7194 -68.7039 -68.7039 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0660 -31.0660 -12.3402 -12.3402 -11.9863 -11.9863 -11.9300 -11.9300
-0.1860 -0.1860 1.2034 1.2034 6.1885 6.1885 7.5732 7.5732
7.6004 7.6004 7.9837 7.9837 8.1351 8.1351 8.3485 8.3485
8.4328 8.4328 8.9924 8.9924 9.8586 9.8586 10.1339 10.1339
10.1365 10.1365 10.1966 10.1966 10.7508 10.7508 11.7731 11.7731
12.9665 12.9665
k = 0.3966 0.2147 0.0000 ( 7617 PWs) bands (ev):
-68.7184 -68.7184 -68.7060 -68.7060 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2458 -37.2458
-31.0660 -31.0660 -12.3402 -12.3402 -11.9863 -11.9863 -11.9301 -11.9301
-0.1482 -0.1482 1.1416 1.1416 6.2142 6.2142 7.5808 7.5808
7.6060 7.6060 8.0106 8.0106 8.1358 8.1358 8.3245 8.3245
8.4105 8.4105 8.9767 8.9767 9.9115 9.9115 10.1373 10.1373
10.1389 10.1389 10.1999 10.1999 10.7475 10.7475 11.8029 11.8029
12.8436 12.8436
k = 0.4138 0.2240 0.0000 ( 7614 PWs) bands (ev):
-68.7190 -68.7190 -68.7049 -68.7049 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0660 -31.0660 -12.3402 -12.3402 -11.9863 -11.9863 -11.9302 -11.9302
-0.1127 -0.1127 1.0856 1.0856 6.2369 6.2369 7.5955 7.5955
7.6192 7.6192 8.0282 8.0282 8.1360 8.1360 8.3025 8.3025
8.3900 8.3900 8.9642 8.9642 9.9609 9.9609 10.1371 10.1371
10.1386 10.1386 10.1999 10.1999 10.7524 10.7524 11.8297 11.8297
12.7260 12.7260
k = 0.4310 0.2333 0.0000 ( 7622 PWs) bands (ev):
-68.7190 -68.7190 -68.7059 -68.7059 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2566 -37.2566 -37.2459 -37.2459
-31.0660 -31.0660 -12.3403 -12.3403 -11.9863 -11.9863 -11.9302 -11.9302
-0.0807 -0.0807 1.0367 1.0367 6.2537 6.2537 7.6033 7.6033
7.6254 7.6254 8.0456 8.0456 8.1364 8.1364 8.2838 8.2838
8.3728 8.3728 8.9527 8.9527 10.0071 10.0071 10.1379 10.1379
10.1396 10.1396 10.2011 10.2011 10.7516 10.7516 11.8505 11.8505
12.6223 12.6223
k = 0.4483 0.2427 0.0000 ( 7646 PWs) bands (ev):
-68.7200 -68.7200 -68.7080 -68.7080 -38.5015 -38.5015 -38.4618 -38.4618
-37.3337 -37.3337 -37.2638 -37.2638 -37.2568 -37.2568 -37.2459 -37.2459
-31.0660 -31.0660 -12.3403 -12.3403 -11.9863 -11.9863 -11.9303 -11.9303
-0.0534 -0.0534 0.9962 0.9962 6.2667 6.2667 7.6088 7.6088
7.6295 7.6295 8.0597 8.0597 8.1366 8.1366 8.2676 8.2676
8.3579 8.3579 8.9351 8.9351 10.0472 10.0472 10.1330 10.1330
10.1358 10.1358 10.1971 10.1971 10.7511 10.7511 11.8575 11.8575
12.5363 12.5363
k = 0.4655 0.2520 0.0000 ( 7638 PWs) bands (ev):
-68.7190 -68.7190 -68.7080 -68.7080 -38.5015 -38.5015 -38.4618 -38.4618
-37.3337 -37.3337 -37.2637 -37.2637 -37.2568 -37.2568 -37.2458 -37.2458
-31.0660 -31.0660 -12.3403 -12.3403 -11.9863 -11.9863 -11.9303 -11.9303
-0.0325 -0.0325 0.9659 0.9659 6.2759 6.2759 7.6155 7.6155
7.6353 7.6353 8.0739 8.0739 8.1374 8.1374 8.2575 8.2575
8.3488 8.3488 8.9291 8.9291 10.0787 10.0787 10.1346 10.1346
10.1404 10.1404 10.2009 10.2009 10.7510 10.7510 11.8698 11.8698
12.4730 12.4730
k = 0.4828 0.2613 0.0000 ( 7642 PWs) bands (ev):
-68.7205 -68.7205 -68.7070 -68.7070 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2638 -37.2638 -37.2567 -37.2567 -37.2459 -37.2459
-31.0660 -31.0660 -12.3403 -12.3403 -11.9863 -11.9863 -11.9304 -11.9304
-0.0192 -0.0192 0.9469 0.9469 6.2814 6.2814 7.6226 7.6226
7.6418 7.6418 8.0800 8.0800 8.1317 8.1317 8.2496 8.2496
8.3415 8.3415 8.9275 8.9275 10.0987 10.0987 10.1296 10.1296
10.1355 10.1355 10.1963 10.1963 10.7526 10.7526 11.8797 11.8797
12.4323 12.4323
k = 0.5000 0.2707 0.0000 ( 7646 PWs) bands (ev):
-68.7210 -68.7210 -68.7070 -68.7070 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2638 -37.2638 -37.2567 -37.2567 -37.2459 -37.2459
-31.0660 -31.0660 -12.3403 -12.3403 -11.9863 -11.9863 -11.9304 -11.9304
-0.0146 -0.0146 0.9404 0.9404 6.2832 6.2832 7.6240 7.6240
7.6430 7.6430 8.0837 8.0837 8.1300 8.1300 8.2464 8.2464
8.3385 8.3385 8.9263 8.9263 10.1057 10.1057 10.1286 10.1286
10.1318 10.1318 10.1938 10.1938 10.7525 10.7525 11.8822 11.8822
12.4194 12.4194
k = 0.5000 0.2707 0.0000 ( 7646 PWs) bands (ev):
-68.7210 -68.7210 -68.7070 -68.7070 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2638 -37.2638 -37.2567 -37.2567 -37.2459 -37.2459
-31.0660 -31.0660 -12.3403 -12.3403 -11.9863 -11.9863 -11.9304 -11.9304
-0.0146 -0.0146 0.9404 0.9404 6.2832 6.2832 7.6240 7.6240
7.6430 7.6430 8.0837 8.0837 8.1300 8.1300 8.2464 8.2464
8.3385 8.3385 8.9263 8.9263 10.1057 10.1057 10.1286 10.1286
10.1318 10.1318 10.1938 10.1938 10.7525 10.7525 11.8822 11.8822
12.4194 12.4194
k = 0.4935 0.2826 0.0136 ( 7648 PWs) bands (ev):
-68.7202 -68.7202 -68.7080 -68.7080 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2638 -37.2638 -37.2567 -37.2567 -37.2459 -37.2459
-31.0660 -31.0660 -12.3403 -12.3403 -11.9864 -11.9864 -11.9304 -11.9304
-0.0140 -0.0140 0.9415 0.9415 6.2808 6.2808 7.6235 7.6235
7.6426 7.6426 8.0851 8.0851 8.1323 8.1323 8.2420 8.2420
8.3340 8.3340 8.9293 8.9293 10.0577 10.0577 10.1307 10.1307
10.1609 10.1609 10.2162 10.2162 10.7476 10.7476 11.8832 11.8832
12.4176 12.4176
k = 0.4871 0.2946 0.0272 ( 7640 PWs) bands (ev):
-68.7192 -68.7192 -68.7080 -68.7080 -38.5014 -38.5014 -38.4619 -38.4619
-37.3336 -37.3336 -37.2639 -37.2639 -37.2567 -37.2567 -37.2459 -37.2459
-31.0660 -31.0660 -12.3404 -12.3404 -11.9865 -11.9865 -11.9304 -11.9304
-0.0119 -0.0119 0.9447 0.9447 6.2812 6.2812 7.6216 7.6216
7.6419 7.6419 8.0888 8.0888 8.1400 8.1400 8.2256 8.2256
8.3215 8.3215 8.9457 8.9457 9.9963 9.9963 10.1295 10.1295
10.1686 10.1686 10.2704 10.2704 10.7502 10.7502 11.8915 11.8915
12.4123 12.4123
k = 0.4806 0.3065 0.0407 ( 7644 PWs) bands (ev):
-68.7187 -68.7187 -68.7091 -68.7091 -38.5013 -38.5013 -38.4619 -38.4619
-37.3335 -37.3335 -37.2640 -37.2640 -37.2567 -37.2567 -37.2459 -37.2459
-31.0660 -31.0660 -12.3405 -12.3405 -11.9867 -11.9867 -11.9304 -11.9304
-0.0084 -0.0084 0.9500 0.9500 6.2793 6.2793 7.6170 7.6170
7.6419 7.6419 8.0966 8.0966 8.1430 8.1430 8.1946 8.1946
8.3063 8.3063 8.9675 8.9675 9.9348 9.9348 10.1229 10.1229
10.1644 10.1644 10.3315 10.3315 10.7488 10.7488 11.9035 11.9035
12.4027 12.4027
k = 0.4741 0.3184 0.0543 ( 7652 PWs) bands (ev):
-68.7186 -68.7186 -68.7101 -68.7101 -38.5012 -38.5012 -38.4621 -38.4621
-37.3334 -37.3334 -37.2642 -37.2642 -37.2567 -37.2567 -37.2459 -37.2459
-31.0660 -31.0660 -12.3407 -12.3407 -11.9870 -11.9870 -11.9304 -11.9304
-0.0036 -0.0036 0.9572 0.9572 6.2794 6.2794 7.6060 7.6060
7.6418 7.6418 8.1036 8.1036 8.1427 8.1427 8.1523 8.1523
8.2917 8.2917 8.9960 8.9960 9.8719 9.8719 10.1160 10.1160
10.1572 10.1572 10.3896 10.3896 10.7512 10.7512 11.9210 11.9210
12.3879 12.3879
k = 0.4677 0.3304 0.0679 ( 7666 PWs) bands (ev):
-68.7191 -68.7191 -68.7115 -68.7115 -38.5011 -38.5011 -38.4622 -38.4622
-37.3332 -37.3332 -37.2645 -37.2645 -37.2567 -37.2567 -37.2460 -37.2460
-31.0659 -31.0659 -12.3410 -12.3410 -11.9874 -11.9874 -11.9304 -11.9304
0.0026 0.0026 0.9665 0.9665 6.2784 6.2784 7.5942 7.5942
7.6431 7.6431 8.0836 8.0836 8.1142 8.1142 8.1535 8.1535
8.2778 8.2778 9.0253 9.0253 9.8091 9.8091 10.1065 10.1065
10.1471 10.1471 10.4441 10.4441 10.7528 10.7528 11.9419 11.9419
12.3677 12.3677
k = 0.4612 0.3423 0.0815 ( 7648 PWs) bands (ev):
-68.7180 -68.7180 -68.7102 -68.7102 -38.5009 -38.5009 -38.4624 -38.4624
-37.3328 -37.3328 -37.2648 -37.2648 -37.2566 -37.2566 -37.2460 -37.2460
-31.0659 -31.0659 -12.3413 -12.3413 -11.9879 -11.9879 -11.9304 -11.9304
0.0102 0.0102 0.9779 0.9779 6.2811 6.2811 7.5857 7.5857
7.6480 7.6480 8.0170 8.0170 8.1255 8.1255 8.1628 8.1628
8.2642 8.2642 9.0606 9.0606 9.7514 9.7514 10.0996 10.0996
10.1407 10.1407 10.5002 10.5002 10.7626 10.7626 11.9702 11.9702
12.3447 12.3447
k = 0.4547 0.3543 0.0951 ( 7644 PWs) bands (ev):
-68.7174 -68.7174 -68.7103 -68.7103 -38.5007 -38.5007 -38.4626 -38.4626
-37.3325 -37.3325 -37.2652 -37.2652 -37.2566 -37.2566 -37.2461 -37.2461
-31.0659 -31.0659 -12.3416 -12.3416 -11.9884 -11.9884 -11.9304 -11.9304
0.0190 0.0190 0.9913 0.9913 6.2812 6.2812 7.5734 7.5734
7.6533 7.6533 7.9429 7.9429 8.1388 8.1388 8.1727 8.1727
8.2499 8.2499 9.0925 9.0925 9.6960 9.6960 10.0871 10.0871
10.1304 10.1304 10.5521 10.5521 10.7659 10.7659 12.0007 12.0007
12.3154 12.3154
k = 0.4483 0.3662 0.1087 ( 7650 PWs) bands (ev):
-68.7178 -68.7178 -68.7107 -68.7107 -38.5005 -38.5005 -38.4628 -38.4628
-37.3321 -37.3321 -37.2656 -37.2656 -37.2565 -37.2565 -37.2462 -37.2462
-31.0658 -31.0658 -12.3420 -12.3420 -11.9890 -11.9890 -11.9304 -11.9304
0.0290 0.0290 1.0066 1.0066 6.2796 6.2796 7.5578 7.5578
7.6577 7.6577 7.8644 7.8644 8.1508 8.1508 8.1812 8.1812
8.2340 8.2340 9.1241 9.1241 9.6432 9.6432 10.0691 10.0691
10.1158 10.1158 10.6004 10.6004 10.7709 10.7709 12.0353 12.0353
12.2788 12.2788
k = 0.4418 0.3782 0.1222 ( 7646 PWs) bands (ev):
-68.7172 -68.7172 -68.7108 -68.7108 -38.5002 -38.5002 -38.4631 -38.4631
-37.3316 -37.3316 -37.2661 -37.2661 -37.2564 -37.2564 -37.2462 -37.2462
-31.0657 -31.0657 -12.3424 -12.3424 -11.9897 -11.9897 -11.9303 -11.9303
0.0401 0.0401 1.0239 1.0239 6.2755 6.2755 7.5407 7.5407
7.6657 7.6657 7.7841 7.7841 8.1659 8.1659 8.1910 8.1910
8.2191 8.2191 9.1532 9.1532 9.5970 9.5970 10.0523 10.0523
10.1028 10.1028 10.6474 10.6474 10.7792 10.7792 12.0725 12.0725
12.2370 12.2370
k = 0.4353 0.3901 0.1358 ( 7646 PWs) bands (ev):
-68.7161 -68.7161 -68.7120 -68.7120 -38.4999 -38.4999 -38.4634 -38.4634
-37.3312 -37.3312 -37.2666 -37.2666 -37.2564 -37.2564 -37.2463 -37.2463
-31.0657 -31.0657 -12.3429 -12.3429 -11.9904 -11.9904 -11.9303 -11.9303
0.0523 0.0523 1.0432 1.0432 6.2705 6.2705 7.5209 7.5209
7.6732 7.6732 7.7023 7.7023 8.1824 8.1824 8.1928 8.1928
8.2147 8.2147 9.1761 9.1761 9.5535 9.5535 10.0342 10.0342
10.0933 10.0933 10.6900 10.6900 10.7802 10.7802 12.1086 12.1086
12.1896 12.1896
k = 0.4289 0.4021 0.1494 ( 7650 PWs) bands (ev):
-68.7170 -68.7170 -68.7116 -68.7116 -38.4996 -38.4996 -38.4637 -38.4637
-37.3306 -37.3306 -37.2672 -37.2672 -37.2563 -37.2563 -37.2465 -37.2465
-31.0656 -31.0656 -12.3434 -12.3434 -11.9913 -11.9913 -11.9303 -11.9303
0.0655 0.0655 1.0643 1.0643 6.2646 6.2646 7.5021 7.5021
7.6214 7.6214 7.6824 7.6824 8.1748 8.1748 8.1960 8.1960
8.2232 8.2232 9.1950 9.1950 9.5144 9.5144 10.0115 10.0115
10.0753 10.0753 10.7282 10.7282 10.7900 10.7900 12.1318 12.1318
12.1515 12.1515
k = 0.4224 0.4140 0.1630 ( 7640 PWs) bands (ev):
-68.7173 -68.7173 -68.7100 -68.7100 -38.4992 -38.4992 -38.4641 -38.4641
-37.3299 -37.3299 -37.2679 -37.2679 -37.2562 -37.2562 -37.2466 -37.2466
-31.0655 -31.0655 -12.3440 -12.3440 -11.9921 -11.9921 -11.9302 -11.9302
0.0797 0.0797 1.0873 1.0873 6.2571 6.2571 7.4816 7.4816
7.5442 7.5442 7.6936 7.6936 8.1556 8.1556 8.2129 8.2129
8.2352 8.2352 9.2118 9.2118 9.4849 9.4849 9.9894 9.9894
10.0537 10.0537 10.7636 10.7636 10.8059 10.8059 12.0777 12.0777
12.1893 12.1893
k = 0.4159 0.4259 0.1766 ( 7624 PWs) bands (ev):
-68.7152 -68.7152 -68.7101 -68.7101 -38.4988 -38.4988 -38.4645 -38.4645
-37.3292 -37.3292 -37.2685 -37.2685 -37.2561 -37.2561 -37.2467 -37.2467
-31.0654 -31.0654 -12.3446 -12.3446 -11.9931 -11.9931 -11.9302 -11.9302
0.0946 0.0946 1.1123 1.1123 6.2423 6.2423 7.4489 7.4489
7.4784 7.4784 7.7052 7.7052 8.1357 8.1357 8.2321 8.2321
8.2557 8.2557 9.2237 9.2237 9.4660 9.4660 9.9694 9.9694
10.0390 10.0390 10.7900 10.7900 10.8294 10.8294 12.0163 12.0163
12.2264 12.2264
k = 0.4095 0.4379 0.1901 ( 7617 PWs) bands (ev):
-68.7145 -68.7145 -68.7100 -68.7100 -38.4984 -38.4984 -38.4649 -38.4649
-37.3285 -37.3285 -37.2693 -37.2693 -37.2560 -37.2560 -37.2468 -37.2468
-31.0654 -31.0654 -12.3452 -12.3452 -11.9940 -11.9940 -11.9301 -11.9301
0.1102 0.1102 1.1389 1.1389 6.2244 6.2244 7.3880 7.3880
7.4465 7.4465 7.7171 7.7171 8.1140 8.1140 8.2527 8.2527
8.2728 8.2728 9.2231 9.2231 9.4543 9.4543 9.9451 9.9451
10.0172 10.0172 10.7991 10.7991 10.8575 10.8575 11.9515 11.9515
12.2644 12.2644
k = 0.4030 0.4498 0.2037 ( 7629 PWs) bands (ev):
-68.7159 -68.7159 -68.7102 -68.7102 -38.4980 -38.4980 -38.4654 -38.4654
-37.3278 -37.3278 -37.2702 -37.2702 -37.2559 -37.2559 -37.2470 -37.2470
-31.0653 -31.0653 -12.3459 -12.3459 -11.9950 -11.9950 -11.9300 -11.9300
0.1264 0.1264 1.1672 1.1672 6.2005 6.2005 7.3239 7.3239
7.4215 7.4215 7.7288 7.7288 8.0911 8.0911 8.2702 8.2702
8.2902 8.2902 9.2068 9.2068 9.4486 9.4486 9.9177 9.9177
9.9843 9.9843 10.8042 10.8042 10.8817 10.8817 11.8817 11.8817
12.2986 12.2986
k = 0.3965 0.4618 0.2173 ( 7635 PWs) bands (ev):
-68.7168 -68.7168 -68.7101 -68.7101 -38.4975 -38.4975 -38.4659 -38.4659
-37.3269 -37.3269 -37.2711 -37.2711 -37.2557 -37.2557 -37.2471 -37.2471
-31.0652 -31.0652 -12.3466 -12.3466 -11.9961 -11.9961 -11.9299 -11.9299
0.1430 0.1430 1.1971 1.1971 6.1703 6.1703 7.2656 7.2656
7.3972 7.3972 7.7423 7.7423 8.0670 8.0670 8.2884 8.2884
8.3045 8.3045 9.1890 9.1890 9.4496 9.4496 9.8883 9.8883
9.9591 9.9591 10.8082 10.8082 10.9060 10.9060 11.8103 11.8103
12.3280 12.3280
k = 0.3901 0.4737 0.2309 ( 7627 PWs) bands (ev):
-68.7161 -68.7161 -68.7098 -68.7098 -38.4970 -38.4970 -38.4663 -38.4663
-37.3261 -37.3261 -37.2720 -37.2720 -37.2556 -37.2556 -37.2473 -37.2473
-31.0651 -31.0651 -12.3473 -12.3473 -11.9971 -11.9971 -11.9298 -11.9298
0.1600 0.1600 1.2287 1.2287 6.1344 6.1344 7.2157 7.2157
7.3735 7.3735 7.7571 7.7571 8.0432 8.0432 8.3095 8.3095
8.3271 8.3271 9.1697 9.1697 9.4540 9.4540 9.8607 9.8607
9.9356 9.9356 10.8105 10.8105 10.9276 10.9276 11.7382 11.7382
12.3513 12.3513
k = 0.3836 0.4857 0.2445 ( 7627 PWs) bands (ev):
-68.7164 -68.7164 -68.7095 -68.7095 -38.4964 -38.4964 -38.4669 -38.4669
-37.3251 -37.3251 -37.2729 -37.2729 -37.2555 -37.2555 -37.2475 -37.2475
-31.0650 -31.0650 -12.3481 -12.3481 -11.9982 -11.9982 -11.9297 -11.9297
0.1771 0.1771 1.2617 1.2617 6.0917 6.0917 7.1729 7.1729
7.3498 7.3498 7.7715 7.7715 8.0191 8.0191 8.3284 8.3284
8.3490 8.3490 9.1458 9.1458 9.4599 9.4599 9.8323 9.8323
9.9078 9.9078 10.8133 10.8133 10.9419 10.9419 11.6652 11.6652
12.3654 12.3654
k = 0.3772 0.4976 0.2581 ( 7647 PWs) bands (ev):
-68.7172 -68.7172 -68.7113 -68.7113 -38.4959 -38.4959 -38.4675 -38.4675
-37.3243 -37.3243 -37.2739 -37.2739 -37.2554 -37.2554 -37.2477 -37.2477
-31.0649 -31.0649 -12.3488 -12.3488 -11.9993 -11.9993 -11.9296 -11.9296
0.1941 0.1941 1.2962 1.2962 6.0416 6.0416 7.1351 7.1351
7.3240 7.3240 7.7858 7.7858 7.9940 7.9940 8.3447 8.3447
8.3706 8.3706 9.1227 9.1227 9.4614 9.4614 9.7990 9.7990
9.8744 9.8744 10.8086 10.8086 10.9495 10.9495 11.5879 11.5879
12.3675 12.3675
k = 0.3707 0.5095 0.2716 ( 7641 PWs) bands (ev):
-68.7165 -68.7165 -68.7112 -68.7112 -38.4953 -38.4953 -38.4680 -38.4680
-37.3233 -37.3233 -37.2750 -37.2750 -37.2552 -37.2552 -37.2478 -37.2478
-31.0648 -31.0648 -12.3496 -12.3496 -12.0004 -12.0004 -11.9294 -11.9294
0.2110 0.2110 1.3321 1.3321 5.9877 5.9877 7.1059 7.1059
7.3004 7.3004 7.8038 7.8038 7.9692 7.9692 8.3655 8.3655
8.3957 8.3957 9.1065 9.1065 9.4649 9.4649 9.7673 9.7673
9.8465 9.8465 10.8065 10.8065 10.9548 10.9548 11.5141 11.5141
12.3637 12.3637
k = 0.3642 0.5215 0.2852 ( 7647 PWs) bands (ev):
-68.7161 -68.7161 -68.7125 -68.7125 -38.4948 -38.4948 -38.4686 -38.4686
-37.3223 -37.3223 -37.2760 -37.2760 -37.2551 -37.2551 -37.2480 -37.2480
-31.0647 -31.0647 -12.3503 -12.3503 -12.0015 -12.0015 -11.9293 -11.9293
0.2276 0.2276 1.3693 1.3693 5.9295 5.9295 7.0824 7.0824
7.2760 7.2760 7.8197 7.8197 7.9433 7.9433 8.3873 8.3873
8.4221 8.4221 9.0873 9.0873 9.4638 9.4638 9.7306 9.7306
9.8197 9.8197 10.7997 10.7997 10.9502 10.9502 11.4392 11.4392
12.3566 12.3566
k = 0.3578 0.5334 0.2988 ( 7643 PWs) bands (ev):
-68.7159 -68.7159 -68.7123 -68.7123 -38.4942 -38.4942 -38.4692 -38.4692
-37.3212 -37.3212 -37.2772 -37.2772 -37.2549 -37.2549 -37.2482 -37.2482
-31.0646 -31.0646 -12.3511 -12.3511 -12.0025 -12.0025 -11.9291 -11.9291
0.2436 0.2436 1.4078 1.4078 5.8693 5.8693 7.0648 7.0648
7.2551 7.2551 7.8358 7.8358 7.9194 7.9194 8.4068 8.4068
8.4449 8.4449 9.0708 9.0708 9.4635 9.4635 9.6996 9.6996
9.7916 9.7916 10.7981 10.7981 10.9395 10.9395 11.3692 11.3692
12.3514 12.3514
k = 0.3513 0.5454 0.3124 ( 7647 PWs) bands (ev):
-68.7167 -68.7167 -68.7120 -68.7120 -38.4935 -38.4935 -38.4699 -38.4699
-37.3201 -37.3201 -37.2783 -37.2783 -37.2548 -37.2548 -37.2484 -37.2484
-31.0645 -31.0645 -12.3519 -12.3519 -12.0036 -12.0036 -11.9290 -11.9290
0.2589 0.2589 1.4472 1.4472 5.8072 5.8072 7.0512 7.0512
7.2347 7.2347 7.8518 7.8518 7.8945 7.8945 8.4255 8.4255
8.4678 8.4678 9.0559 9.0559 9.4622 9.4622 9.6643 9.6643
9.7549 9.7549 10.7942 10.7942 10.9215 10.9215 11.2994 11.2994
12.3516 12.3516
k = 0.3448 0.5573 0.3260 ( 7643 PWs) bands (ev):
-68.7164 -68.7164 -68.7118 -68.7118 -38.4928 -38.4928 -38.4706 -38.4706
-37.3189 -37.3189 -37.2795 -37.2795 -37.2546 -37.2546 -37.2486 -37.2486
-31.0644 -31.0644 -12.3526 -12.3526 -12.0046 -12.0046 -11.9288 -11.9288
0.2733 0.2733 1.4877 1.4877 5.7448 5.7448 7.0400 7.0400
7.2135 7.2135 7.8694 7.8694 7.8704 7.8704 8.4457 8.4457
8.4963 8.4963 9.0433 9.0433 9.4599 9.4599 9.6305 9.6305
9.7231 9.7231 10.7923 10.7923 10.8972 10.8972 11.2288 11.2288
12.3588 12.3588
k = 0.3384 0.5693 0.3396 ( 7639 PWs) bands (ev):
-68.7152 -68.7152 -68.7125 -68.7125 -38.4922 -38.4922 -38.4712 -38.4712
-37.3178 -37.3178 -37.2807 -37.2807 -37.2544 -37.2544 -37.2487 -37.2487
-31.0643 -31.0643 -12.3534 -12.3534 -12.0056 -12.0056 -11.9286 -11.9286
0.2866 0.2866 1.5291 1.5291 5.6826 5.6826 7.0304 7.0304
7.1921 7.1921 7.8476 7.8476 7.8879 7.8879 8.4657 8.4657
8.5274 8.5274 9.0337 9.0337 9.4506 9.4506 9.5979 9.5979
9.6935 9.6935 10.7902 10.7902 10.8677 10.8677 11.1571 11.1571
12.3737 12.3737
k = 0.3319 0.5812 0.3531 ( 7639 PWs) bands (ev):
-68.7154 -68.7154 -68.7123 -68.7123 -38.4915 -38.4915 -38.4719 -38.4719
-37.3166 -37.3166 -37.2820 -37.2820 -37.2543 -37.2543 -37.2490 -37.2490
-31.0643 -31.0643 -12.3541 -12.3541 -12.0065 -12.0065 -11.9285 -11.9285
0.2986 0.2986 1.5712 1.5712 5.6221 5.6221 7.0224 7.0224
7.1733 7.1733 7.8235 7.8235 7.9062 7.9062 8.4850 8.4850
8.5561 8.5561 9.0236 9.0236 9.4446 9.4446 9.5608 9.5608
9.6605 9.6605 10.7855 10.7855 10.8339 10.8339 11.0897 11.0897
12.3970 12.3970
k = 0.3254 0.5932 0.3667 ( 7639 PWs) bands (ev):
-68.7152 -68.7152 -68.7125 -68.7125 -38.4908 -38.4908 -38.4726 -38.4726
-37.3153 -37.3153 -37.2833 -37.2833 -37.2541 -37.2541 -37.2492 -37.2492
-31.0642 -31.0642 -12.3547 -12.3547 -12.0074 -12.0074 -11.9283 -11.9283
0.3090 0.3090 1.6141 1.6141 5.5636 5.5636 7.0141 7.0141
7.1551 7.1551 7.7998 7.7998 7.9255 7.9255 8.5036 8.5036
8.5873 8.5873 9.0170 9.0170 9.4342 9.4342 9.5231 9.5231
9.6289 9.6289 10.7770 10.7770 10.8010 10.8010 11.0229 11.0229
12.4284 12.4284
k = 0.3190 0.6051 0.3803 ( 7637 PWs) bands (ev):
-68.7152 -68.7152 -68.7123 -68.7123 -38.4901 -38.4901 -38.4734 -38.4734
-37.3141 -37.3141 -37.2846 -37.2846 -37.2539 -37.2539 -37.2494 -37.2494
-31.0641 -31.0641 -12.3554 -12.3554 -12.0083 -12.0083 -11.9281 -11.9281
0.3177 0.3177 1.6574 1.6574 5.5081 5.5081 7.0057 7.0057
7.1397 7.1397 7.7766 7.7766 7.9441 7.9441 8.5205 8.5205
8.6162 8.6162 9.0136 9.0136 9.4222 9.4222 9.4854 9.4854
9.5999 9.5999 10.7507 10.7507 10.7852 10.7852 10.9613 10.9613
12.4671 12.4671
k = 0.3125 0.6170 0.3939 ( 7629 PWs) bands (ev):
-68.7144 -68.7144 -68.7120 -68.7120 -38.4893 -38.4893 -38.4741 -38.4741
-37.3128 -37.3128 -37.2859 -37.2859 -37.2537 -37.2537 -37.2496 -37.2496
-31.0640 -31.0640 -12.3560 -12.3560 -12.0090 -12.0090 -11.9280 -11.9280
0.3246 0.3246 1.7012 1.7012 5.4562 5.4562 6.9959 6.9959
7.1249 7.1249 7.7551 7.7551 7.9648 7.9648 8.5374 8.5374
8.6497 8.6497 9.0121 9.0121 9.4089 9.4089 9.4519 9.4519
9.5708 9.5708 10.7130 10.7130 10.7824 10.7824 10.9001 10.9001
12.5118 12.5118
k = 0.3060 0.6290 0.4075 ( 7637 PWs) bands (ev):
-68.7141 -68.7141 -68.7133 -68.7133 -38.4886 -38.4886 -38.4749 -38.4749
-37.3115 -37.3115 -37.2872 -37.2872 -37.2535 -37.2535 -37.2498 -37.2498
-31.0640 -31.0640 -12.3566 -12.3566 -12.0097 -12.0097 -11.9278 -11.9278
0.3293 0.3293 1.7453 1.7453 5.4080 5.4080 6.9840 6.9840
7.1096 7.1096 7.7322 7.7322 7.9843 7.9843 8.5497 8.5497
8.6819 8.6819 9.0125 9.0125 9.3857 9.3857 9.4174 9.4174
9.5461 9.5461 10.6735 10.6735 10.7762 10.7762 10.8368 10.8368
12.5617 12.5617
k = 0.2996 0.6409 0.4210 ( 7641 PWs) bands (ev):
-68.7143 -68.7143 -68.7136 -68.7136 -38.4878 -38.4878 -38.4756 -38.4756
-37.3102 -37.3102 -37.2886 -37.2886 -37.2533 -37.2533 -37.2500 -37.2500
-31.0639 -31.0639 -12.3571 -12.3571 -12.0104 -12.0104 -11.9277 -11.9277
0.3317 0.3317 1.7894 1.7894 5.3644 5.3644 6.9702 6.9702
7.0974 7.0974 7.7102 7.7102 8.0053 8.0053 8.5621 8.5621
8.7157 8.7157 9.0116 9.0116 9.3537 9.3537 9.3957 9.3957
9.5188 9.5188 10.6337 10.6337 10.7606 10.7606 10.7900 10.7900
12.6153 12.6153
k = 0.2931 0.6529 0.4346 ( 7643 PWs) bands (ev):
-68.7153 -68.7153 -68.7128 -68.7128 -38.4870 -38.4870 -38.4764 -38.4764
-37.3088 -37.3088 -37.2900 -37.2900 -37.2531 -37.2531 -37.2503 -37.2503
-31.0639 -31.0639 -12.3575 -12.3575 -12.0110 -12.0110 -11.9275 -11.9275
0.3318 0.3318 1.8334 1.8334 5.3256 5.3256 6.9542 6.9542
7.0871 7.0871 7.6905 7.6905 8.0267 8.0267 8.5734 8.5734
8.7496 8.7496 9.0119 9.0119 9.3215 9.3215 9.3845 9.3845
9.4820 9.4820 10.5951 10.5951 10.7102 10.7102 10.7837 10.7837
12.6726 12.6726
k = 0.2866 0.6648 0.4482 ( 7655 PWs) bands (ev):
-68.7156 -68.7156 -68.7141 -68.7141 -38.4863 -38.4863 -38.4772 -38.4772
-37.3074 -37.3074 -37.2914 -37.2914 -37.2530 -37.2530 -37.2505 -37.2505
-31.0638 -31.0638 -12.3579 -12.3579 -12.0115 -12.0115 -11.9274 -11.9274
0.3294 0.3294 1.8772 1.8772 5.2917 5.2917 6.9348 6.9348
7.0767 7.0767 7.6699 7.6699 8.0481 8.0481 8.5824 8.5824
8.7841 8.7841 9.0132 9.0132 9.2814 9.2814 9.3716 9.3716
9.4570 9.4570 10.5570 10.5570 10.6476 10.6476 10.7824 10.7824
12.7327 12.7327
k = 0.2866 0.6648 0.4482 ( 7655 PWs) bands (ev):
-68.7156 -68.7156 -68.7141 -68.7141 -38.4863 -38.4863 -38.4772 -38.4772
-37.3074 -37.3074 -37.2914 -37.2914 -37.2530 -37.2530 -37.2505 -37.2505
-31.0638 -31.0638 -12.3579 -12.3579 -12.0115 -12.0115 -11.9274 -11.9274
0.3294 0.3294 1.8772 1.8772 5.2917 5.2917 6.9348 6.9348
7.0767 7.0767 7.6699 7.6699 8.0481 8.0481 8.5824 8.5824
8.7841 8.7841 9.0132 9.0132 9.2814 9.2814 9.3716 9.3716
9.4570 9.4570 10.5570 10.5570 10.6476 10.6476 10.7824 10.7824
12.7327 12.7327
k = 0.2687 0.6606 0.4530 ( 7653 PWs) bands (ev):
-68.7160 -68.7160 -68.7134 -68.7134 -38.4860 -38.4860 -38.4775 -38.4775
-37.3069 -37.3069 -37.2919 -37.2919 -37.2529 -37.2529 -37.2506 -37.2506
-31.0638 -31.0638 -12.3581 -12.3581 -12.0116 -12.0116 -11.9274 -11.9274
0.3274 0.3274 1.8936 1.8936 5.2828 5.2828 6.9054 6.9054
7.0963 7.0963 7.6624 7.6624 8.0564 8.0564 8.5813 8.5813
8.7950 8.7950 9.0166 9.0166 9.2680 9.2680 9.3681 9.3681
9.4499 9.4499 10.5040 10.5040 10.6767 10.6767 10.7833 10.7833
12.7456 12.7456
k = 0.2508 0.6564 0.4578 ( 7645 PWs) bands (ev):
-68.7151 -68.7151 -68.7132 -68.7132 -38.4857 -38.4857 -38.4778 -38.4778
-37.3064 -37.3064 -37.2924 -37.2924 -37.2528 -37.2528 -37.2506 -37.2506
-31.0638 -31.0638 -12.3582 -12.3582 -12.0118 -12.0118 -11.9273 -11.9273
0.3242 0.3242 1.9115 1.9115 5.2782 5.2782 6.8498 6.8498
7.1368 7.1368 7.6541 7.6541 8.0682 8.0682 8.5783 8.5783
8.8103 8.8103 9.0255 9.0255 9.2554 9.2554 9.3636 9.3636
9.4479 9.4479 10.4273 10.4273 10.7315 10.7315 10.7852 10.7852
12.7423 12.7423
k = 0.2329 0.6521 0.4626 ( 7648 PWs) bands (ev):
-68.7154 -68.7154 -68.7133 -68.7133 -38.4854 -38.4854 -38.4781 -38.4781
-37.3059 -37.3059 -37.2929 -37.2929 -37.2527 -37.2527 -37.2507 -37.2507
-31.0638 -31.0638 -12.3583 -12.3583 -12.0119 -12.0119 -11.9273 -11.9273
0.3200 0.3200 1.9302 1.9302 5.2780 5.2780 6.7853 6.7853
7.1828 7.1828 7.6441 7.6441 8.0790 8.0790 8.5701 8.5701
8.8231 8.8231 9.0361 9.0361 9.2396 9.2396 9.3610 9.3610
9.4402 9.4402 10.3515 10.3515 10.7760 10.7760 10.7998 10.7998
12.7230 12.7230
k = 0.2150 0.6479 0.4674 ( 7636 PWs) bands (ev):
-68.7156 -68.7156 -68.7116 -68.7116 -38.4851 -38.4851 -38.4783 -38.4783
-37.3054 -37.3054 -37.2934 -37.2934 -37.2526 -37.2526 -37.2508 -37.2508
-31.0638 -31.0638 -12.3584 -12.3584 -12.0121 -12.0121 -11.9272 -11.9272
0.3152 0.3152 1.9495 1.9495 5.2823 5.2823 6.7172 6.7172
7.2311 7.2311 7.6355 7.6355 8.0928 8.0928 8.5588 8.5588
8.8390 8.8390 9.0479 9.0479 9.2277 9.2277 9.3653 9.3653
9.4341 9.4341 10.2810 10.2810 10.7813 10.7813 10.8625 10.8625
12.6898 12.6898
k = 0.1971 0.6437 0.4723 ( 7635 PWs) bands (ev):
-68.7153 -68.7153 -68.7117 -68.7117 -38.4848 -38.4848 -38.4786 -38.4786
-37.3049 -37.3049 -37.2939 -37.2939 -37.2525 -37.2525 -37.2509 -37.2509
-31.0638 -31.0638 -12.3585 -12.3585 -12.0122 -12.0122 -11.9272 -11.9272
0.3098 0.3098 1.9689 1.9689 5.2911 5.2911 6.6461 6.6461
7.2777 7.2777 7.6267 7.6267 8.1035 8.1035 8.5450 8.5450
8.8520 8.8520 9.0640 9.0640 9.2151 9.2151 9.3633 9.3633
9.4280 9.4280 10.2131 10.2131 10.7822 10.7822 10.9285 10.9285
12.6457 12.6457
k = 0.1791 0.6395 0.4771 ( 7642 PWs) bands (ev):
-68.7161 -68.7161 -68.7118 -68.7118 -38.4845 -38.4845 -38.4789 -38.4789
-37.3044 -37.3044 -37.2944 -37.2944 -37.2525 -37.2525 -37.2510 -37.2510
-31.0638 -31.0638 -12.3586 -12.3586 -12.0123 -12.0123 -11.9272 -11.9272
0.3043 0.3043 1.9879 1.9879 5.3041 5.3041 6.5737 6.5737
7.3233 7.3233 7.6168 7.6168 8.1149 8.1149 8.5276 8.5276
8.8652 8.8652 9.0761 9.0761 9.2001 9.2001 9.3611 9.3611
9.4211 9.4211 10.1482 10.1482 10.7805 10.7805 10.9975 10.9975
12.5914 12.5914
k = 0.1612 0.6352 0.4819 ( 7649 PWs) bands (ev):
-68.7164 -68.7164 -68.7124 -68.7124 -38.4843 -38.4843 -38.4792 -38.4792
-37.3039 -37.3039 -37.2950 -37.2950 -37.2524 -37.2524 -37.2511 -37.2511
-31.0637 -31.0637 -12.3587 -12.3587 -12.0124 -12.0124 -11.9271 -11.9271
0.2987 0.2987 2.0062 2.0062 5.3214 5.3214 6.5009 6.5009
7.3663 7.3663 7.6073 7.6073 8.1250 8.1250 8.5107 8.5107
8.8768 8.8768 9.0912 9.0912 9.1857 9.1857 9.3579 9.3579
9.4158 9.4158 10.0884 10.0884 10.7783 10.7783 11.0670 11.0670
12.5308 12.5308
k = 0.1433 0.6310 0.4867 ( 7652 PWs) bands (ev):
-68.7159 -68.7159 -68.7133 -68.7133 -38.4840 -38.4840 -38.4795 -38.4795
-37.3034 -37.3034 -37.2955 -37.2955 -37.2523 -37.2523 -37.2512 -37.2512
-31.0637 -31.0637 -12.3587 -12.3587 -12.0125 -12.0125 -11.9271 -11.9271
0.2932 0.2932 2.0235 2.0235 5.3427 5.3427 6.4285 6.4285
7.4065 7.4065 7.5989 7.5989 8.1354 8.1354 8.4934 8.4934
8.8904 8.8904 9.1054 9.1054 9.1747 9.1747 9.3561 9.3561
9.4126 9.4126 10.0320 10.0320 10.7769 10.7769 11.1369 11.1369
12.4654 12.4654
k = 0.1254 0.6268 0.4915 ( 7655 PWs) bands (ev):
-68.7156 -68.7156 -68.7140 -68.7140 -38.4837 -38.4837 -38.4798 -38.4798
-37.3030 -37.3030 -37.2960 -37.2960 -37.2523 -37.2523 -37.2512 -37.2512
-31.0637 -31.0637 -12.3588 -12.3588 -12.0126 -12.0126 -11.9271 -11.9271
0.2880 0.2880 2.0394 2.0394 5.3675 5.3675 6.3576 6.3576
7.4434 7.4434 7.5918 7.5918 8.1444 8.1444 8.4755 8.4755
8.9038 8.9038 9.1146 9.1146 9.1710 9.1710 9.3527 9.3527
9.4091 9.4091 9.9818 9.9818 10.7760 10.7760 11.2075 11.2075
12.3963 12.3963
k = 0.1075 0.6225 0.4963 ( 7660 PWs) bands (ev):
-68.7157 -68.7157 -68.7145 -68.7145 -38.4835 -38.4835 -38.4800 -38.4800
-37.3025 -37.3025 -37.2965 -37.2965 -37.2522 -37.2522 -37.2513 -37.2513
-31.0637 -31.0637 -12.3589 -12.3589 -12.0126 -12.0126 -11.9270 -11.9270
0.2832 0.2832 2.0537 2.0537 5.3954 5.3954 6.2889 6.2889
7.4778 7.4778 7.5849 7.5849 8.1533 8.1533 8.4568 8.4568
8.9169 8.9169 9.1124 9.1124 9.1746 9.1746 9.3525 9.3525
9.4053 9.4053 9.9349 9.9349 10.7744 10.7744 11.2799 11.2799
12.3244 12.3244
k = 0.0896 0.6183 0.5011 ( 7656 PWs) bands (ev):
-68.7151 -68.7151 -68.7146 -68.7146 -38.4832 -38.4832 -38.4803 -38.4803
-37.3020 -37.3020 -37.2970 -37.2970 -37.2522 -37.2522 -37.2514 -37.2514
-31.0637 -31.0637 -12.3589 -12.3589 -12.0127 -12.0127 -11.9270 -11.9270
0.2790 0.2790 2.0663 2.0663 5.4254 5.4254 6.2240 6.2240
7.5076 7.5076 7.5798 7.5798 8.1617 8.1617 8.4402 8.4402
8.9318 8.9318 9.1050 9.1050 9.1875 9.1875 9.3538 9.3538
9.4049 9.4049 9.8959 9.8959 10.7739 10.7739 11.3512 11.3512
12.2518 12.2518
k = 0.0717 0.6141 0.5059 ( 7652 PWs) bands (ev):
-68.7146 -68.7146 -68.7146 -68.7146 -38.4829 -38.4829 -38.4806 -38.4806
-37.3015 -37.3015 -37.2974 -37.2974 -37.2521 -37.2521 -37.2514 -37.2514
-31.0637 -31.0637 -12.3589 -12.3589 -12.0127 -12.0127 -11.9270 -11.9270
0.2754 0.2754 2.0768 2.0768 5.4561 5.4561 6.1644 6.1644
7.5336 7.5336 7.5752 7.5752 8.1687 8.1687 8.4257 8.4257
8.9459 8.9459 9.0936 9.0936 9.1999 9.1999 9.3556 9.3556
9.4075 9.4075 9.8626 9.8626 10.7729 10.7729 11.4223 11.4223
12.1800 12.1800
k = 0.0537 0.6098 0.5107 ( 7658 PWs) bands (ev):
-68.7155 -68.7155 -68.7145 -68.7145 -38.4826 -38.4826 -38.4809 -38.4809
-37.3010 -37.3010 -37.2979 -37.2979 -37.2520 -37.2520 -37.2515 -37.2515
-31.0637 -31.0637 -12.3590 -12.3590 -12.0128 -12.0128 -11.9270 -11.9270
0.2726 0.2726 2.0852 2.0852 5.4856 5.4856 6.1119 6.1119
7.5540 7.5540 7.5711 7.5711 8.1735 8.1735 8.4115 8.4115
8.9593 8.9593 9.0799 9.0799 9.2105 9.2105 9.3532 9.3532
9.4072 9.4072 9.8343 9.8343 10.7711 10.7711 11.4894 11.4894
12.1104 12.1104
k = 0.0358 0.6056 0.5155 ( 7657 PWs) bands (ev):
-68.7153 -68.7153 -68.7145 -68.7145 -38.4823 -38.4823 -38.4812 -38.4812
-37.3005 -37.3005 -37.2984 -37.2984 -37.2520 -37.2520 -37.2516 -37.2516
-31.0637 -31.0637 -12.3590 -12.3590 -12.0128 -12.0128 -11.9269 -11.9269
0.2705 0.2705 2.0912 2.0912 5.5110 5.5110 6.0702 6.0702
7.5675 7.5675 7.5701 7.5701 8.1783 8.1783 8.4020 8.4020
8.9716 8.9716 9.0692 9.0692 9.2177 9.2177 9.3537 9.3537
9.4089 9.4089 9.8138 9.8138 10.7701 10.7701 11.5493 11.5493
12.0490 12.0490
k = 0.0179 0.6014 0.5203 ( 7646 PWs) bands (ev):
-68.7143 -68.7143 -68.7142 -68.7142 -38.4820 -38.4820 -38.4814 -38.4814
-37.3000 -37.3000 -37.2989 -37.2989 -37.2518 -37.2518 -37.2517 -37.2517
-31.0637 -31.0637 -12.3590 -12.3590 -12.0128 -12.0128 -11.9269 -11.9269
0.2692 0.2692 2.0949 2.0949 5.5287 5.5287 6.0429 6.0429
7.5671 7.5671 7.5802 7.5802 8.1814 8.1814 8.3983 8.3983
8.9808 8.9808 9.0624 9.0624 9.2250 9.2250 9.3554 9.3554
9.4128 9.4128 9.8033 9.8033 10.7707 10.7707 11.5969 11.5969
12.0036 12.0036
k = 0.0000 0.5972 0.5252 ( 7644 PWs) bands (ev):
-68.7141 -68.7141 -68.7141 -68.7141 -38.4817 -38.4817 -38.4817 -38.4817
-37.2994 -37.2994 -37.2994 -37.2994 -37.2517 -37.2517 -37.2517 -37.2517
-31.0637 -31.0637 -12.3590 -12.3590 -12.0128 -12.0128 -11.9269 -11.9269
0.2688 0.2688 2.0961 2.0961 5.5350 5.5350 6.0332 6.0332
7.5673 7.5673 7.5838 7.5838 8.1816 8.1816 8.3968 8.3968
8.9831 8.9831 9.0610 9.0610 9.2265 9.2265 9.3557 9.3557
9.4144 9.4144 9.7984 9.7984 10.7715 10.7715 11.6153 11.6153
11.9860 11.9860
k = 0.0000 0.5972 0.5252 ( 7644 PWs) bands (ev):
-68.7141 -68.7141 -68.7141 -68.7141 -38.4817 -38.4817 -38.4817 -38.4817
-37.2994 -37.2994 -37.2994 -37.2994 -37.2517 -37.2517 -37.2517 -37.2517
-31.0637 -31.0637 -12.3590 -12.3590 -12.0128 -12.0128 -11.9269 -11.9269
0.2688 0.2688 2.0961 2.0961 5.5350 5.5350 6.0332 6.0332
7.5673 7.5673 7.5838 7.5838 8.1816 8.1816 8.3968 8.3968
8.9831 8.9831 9.0610 9.0610 9.2265 9.2265 9.3557 9.3557
9.4144 9.4144 9.7984 9.7984 10.7715 10.7715 11.6153 11.6153
11.9860 11.9860
k = 0.0066 0.5850 0.5390 ( 7648 PWs) bands (ev):
-68.7144 -68.7144 -68.7144 -68.7144 -38.4817 -38.4817 -38.4817 -38.4817
-37.2995 -37.2995 -37.2994 -37.2994 -37.2518 -37.2518 -37.2517 -37.2517
-31.0637 -31.0637 -12.3590 -12.3590 -12.0128 -12.0128 -11.9269 -11.9269
0.2692 0.2692 2.0971 2.0971 5.5358 5.5358 6.0336 6.0336
7.5393 7.5393 7.6090 7.6090 8.1804 8.1804 8.3958 8.3958
8.9802 8.9802 9.0564 9.0564 9.2282 9.2282 9.3577 9.3577
9.4139 9.4139 9.8001 9.8001 10.7665 10.7665 11.6152 11.6152
11.9860 11.9860
k = 0.0132 0.5729 0.5528 ( 7650 PWs) bands (ev):
-68.7145 -68.7145 -68.7145 -68.7145 -38.4818 -38.4818 -38.4817 -38.4817
-37.2997 -37.2997 -37.2994 -37.2994 -37.2518 -37.2518 -37.2515 -37.2515
-31.0637 -31.0637 -12.3591 -12.3591 -12.0129 -12.0129 -11.9270 -11.9270
0.2704 0.2704 2.0998 2.0998 5.5381 5.5381 6.0349 6.0349
7.5061 7.5061 7.6396 7.6396 8.1758 8.1758 8.3972 8.3972
8.9722 8.9722 9.0514 9.0514 9.2308 9.2308 9.3636 9.3636
9.4112 9.4112 9.7998 9.7998 10.7567 10.7567 11.6175 11.6175
11.9879 11.9879
k = 0.0197 0.5607 0.5666 ( 7648 PWs) bands (ev):
-68.7143 -68.7143 -68.7143 -68.7143 -38.4818 -38.4818 -38.4817 -38.4817
-37.2998 -37.2998 -37.2994 -37.2994 -37.2518 -37.2518 -37.2514 -37.2514
-31.0637 -31.0637 -12.3591 -12.3591 -12.0131 -12.0131 -11.9270 -11.9270
0.2724 0.2724 2.1043 2.1043 5.5420 5.5420 6.0371 6.0371
7.4715 7.4715 7.6696 7.6696 8.1687 8.1687 8.4011 8.4011
8.9603 8.9603 9.0407 9.0407 9.2361 9.2361 9.3749 9.3749
9.4100 9.4100 9.8019 9.8019 10.7396 10.7396 11.6217 11.6217
11.9918 11.9918
k = 0.0263 0.5485 0.5804 ( 7642 PWs) bands (ev):
-68.7140 -68.7140 -68.7140 -68.7140 -38.4818 -38.4818 -38.4817 -38.4817
-37.3000 -37.3000 -37.2995 -37.2995 -37.2517 -37.2517 -37.2511 -37.2511
-31.0636 -31.0636 -12.3592 -12.3592 -12.0133 -12.0133 -11.9271 -11.9271
0.2752 0.2752 2.1106 2.1106 5.5476 5.5476 6.0401 6.0401
7.4355 7.4355 7.6992 7.6992 8.1617 8.1617 8.4055 8.4055
8.9487 8.9487 9.0272 9.0272 9.2413 9.2413 9.3882 9.3882
9.4092 9.4092 9.8050 9.8050 10.7177 10.7177 11.6250 11.6250
11.9969 11.9969
k = 0.0329 0.5364 0.5943 ( 7642 PWs) bands (ev):
-68.7140 -68.7140 -68.7140 -68.7140 -38.4818 -38.4818 -38.4817 -38.4817
-37.3002 -37.3002 -37.2996 -37.2996 -37.2516 -37.2516 -37.2509 -37.2509
-31.0636 -31.0636 -12.3594 -12.3594 -12.0135 -12.0135 -11.9272 -11.9272
0.2788 0.2788 2.1188 2.1188 5.5544 5.5544 6.0437 6.0437
7.3997 7.3997 7.7263 7.7263 8.1498 8.1498 8.4104 8.4104
8.9321 8.9321 9.0118 9.0118 9.2435 9.2435 9.4008 9.4008
9.4109 9.4109 9.8080 9.8080 10.6904 10.6904 11.6277 11.6277
12.0034 12.0034
k = 0.0395 0.5242 0.6081 ( 7646 PWs) bands (ev):
-68.7142 -68.7142 -68.7142 -68.7142 -38.4819 -38.4819 -38.4818 -38.4818
-37.3005 -37.3005 -37.2997 -37.2997 -37.2515 -37.2515 -37.2506 -37.2506
-31.0636 -31.0636 -12.3595 -12.3595 -12.0139 -12.0139 -11.9273 -11.9273
0.2831 0.2831 2.1285 2.1285 5.5626 5.5626 6.0479 6.0479
7.3625 7.3625 7.7529 7.7529 8.1363 8.1363 8.4162 8.4162
8.9138 8.9138 8.9925 8.9925 9.2400 9.2400 9.4084 9.4084
9.4191 9.4191 9.8103 9.8103 10.6599 10.6599 11.6280 11.6280
12.0107 12.0107
k = 0.0461 0.5121 0.6219 ( 7646 PWs) bands (ev):
-68.7142 -68.7142 -68.7142 -68.7142 -38.4819 -38.4819 -38.4818 -38.4818
-37.3008 -37.3008 -37.2999 -37.2999 -37.2513 -37.2513 -37.2503 -37.2503
-31.0635 -31.0635 -12.3597 -12.3597 -12.0142 -12.0142 -11.9274 -11.9274
0.2881 0.2881 2.1401 2.1401 5.5723 5.5723 6.0526 6.0526
7.3255 7.3255 7.7779 7.7779 8.1210 8.1210 8.4229 8.4229
8.8952 8.8952 8.9723 8.9723 9.2340 9.2340 9.4159 9.4159
9.4334 9.4334 9.8148 9.8148 10.6269 10.6269 11.6252 11.6252
12.0185 12.0185
k = 0.0526 0.4999 0.6357 ( 7642 PWs) bands (ev):
-68.7140 -68.7140 -68.7140 -68.7140 -38.4819 -38.4819 -38.4818 -38.4818
-37.3011 -37.3011 -37.3001 -37.3001 -37.2511 -37.2511 -37.2500 -37.2500
-31.0635 -31.0635 -12.3599 -12.3599 -12.0146 -12.0146 -11.9275 -11.9275
0.2939 0.2939 2.1533 2.1533 5.5831 5.5831 6.0576 6.0576
7.2893 7.2893 7.8008 7.8008 8.1056 8.1056 8.4291 8.4291
8.8778 8.8778 8.9521 8.9521 9.2232 9.2232 9.4262 9.4262
9.4494 9.4494 9.8201 9.8201 10.5928 10.5928 11.6200 11.6200
12.0262 12.0262
k = 0.0592 0.4878 0.6495 ( 7646 PWs) bands (ev):
-68.7143 -68.7143 -68.7143 -68.7143 -38.4820 -38.4820 -38.4818 -38.4818
-37.3015 -37.3015 -37.3004 -37.3004 -37.2508 -37.2508 -37.2496 -37.2496
-31.0634 -31.0634 -12.3602 -12.3602 -12.0151 -12.0151 -11.9276 -11.9276
0.3003 0.3003 2.1681 2.1681 5.5948 5.5948 6.0627 6.0627
7.2527 7.2527 7.8224 7.8224 8.0867 8.0867 8.4334 8.4334
8.8568 8.8568 8.9332 8.9332 9.2073 9.2073 9.4379 9.4379
9.4653 9.4653 9.8232 9.8232 10.5583 10.5583 11.6089 11.6089
12.0294 12.0294
k = 0.0658 0.4756 0.6634 ( 7652 PWs) bands (ev):
-68.7147 -68.7147 -68.7147 -68.7147 -38.4820 -38.4820 -38.4819 -38.4819
-37.3018 -37.3018 -37.3006 -37.3006 -37.2506 -37.2506 -37.2493 -37.2493
-31.0633 -31.0633 -12.3605 -12.3605 -12.0156 -12.0156 -11.9278 -11.9278
0.3073 0.3073 2.1844 2.1844 5.6075 5.6075 6.0676 6.0676
7.2168 7.2168 7.8414 7.8414 8.0667 8.0667 8.4376 8.4376
8.8367 8.8367 8.9124 8.9124 9.1871 9.1871 9.4524 9.4524
9.4795 9.4795 9.8268 9.8268 10.5216 10.5216 11.5944 11.5944
12.0195 12.0195
k = 0.0724 0.4635 0.6772 ( 7648 PWs) bands (ev):
-68.7144 -68.7144 -68.7144 -68.7144 -38.4821 -38.4821 -38.4819 -38.4819
-37.3022 -37.3022 -37.3009 -37.3009 -37.2503 -37.2503 -37.2489 -37.2489
-31.0633 -31.0633 -12.3607 -12.3607 -12.0162 -12.0162 -11.9279 -11.9279
0.3150 0.3150 2.2023 2.2023 5.6211 5.6211 6.0721 6.0721
7.1835 7.1835 7.8589 7.8589 8.0469 8.0469 8.4428 8.4428
8.8187 8.8187 8.8952 8.8952 9.1653 9.1653 9.4697 9.4697
9.4925 9.4925 9.8327 9.8327 10.4864 10.4864 11.5777 11.5777
11.9724 11.9724
k = 0.0789 0.4513 0.6910 ( 7642 PWs) bands (ev):
-68.7141 -68.7141 -68.7140 -68.7140 -38.4821 -38.4821 -38.4819 -38.4819
-37.3026 -37.3026 -37.3012 -37.3012 -37.2499 -37.2499 -37.2484 -37.2484
-31.0632 -31.0632 -12.3611 -12.3611 -12.0168 -12.0168 -11.9280 -11.9280
0.3232 0.3232 2.2217 2.2217 5.6354 5.6354 6.0762 6.0762
7.1523 7.1523 7.8745 7.8745 8.0254 8.0254 8.4469 8.4469
8.8002 8.8002 8.8800 8.8800 9.1426 9.1426 9.4877 9.4877
9.5062 9.5062 9.8386 9.8386 10.4519 10.4519 11.5581 11.5581
11.8937 11.8937
k = 0.0855 0.4392 0.7048 ( 7640 PWs) bands (ev):
-68.7139 -68.7139 -68.7139 -68.7139 -38.4821 -38.4821 -38.4820 -38.4820
-37.3030 -37.3030 -37.3016 -37.3016 -37.2496 -37.2496 -37.2480 -37.2480
-31.0631 -31.0631 -12.3614 -12.3614 -12.0174 -12.0174 -11.9282 -11.9282
0.3319 0.3319 2.2423 2.2423 5.6502 5.6502 6.0791 6.0791
7.1226 7.1226 7.8883 7.8883 8.0035 8.0035 8.4507 8.4507
8.7816 8.7816 8.8632 8.8632 9.1171 9.1171 9.5045 9.5045
9.5174 9.5174 9.8446 9.8446 10.4184 10.4184 11.5351 11.5351
11.8087 11.8087
k = 0.0921 0.4270 0.7186 ( 7644 PWs) bands (ev):
-68.7142 -68.7142 -68.7142 -68.7142 -38.4822 -38.4822 -38.4820 -38.4820
-37.3034 -37.3034 -37.3019 -37.3019 -37.2492 -37.2492 -37.2476 -37.2476
-31.0630 -31.0630 -12.3618 -12.3618 -12.0181 -12.0181 -11.9283 -11.9283
0.3411 0.3411 2.2641 2.2641 5.6654 5.6654 6.0805 6.0805
7.0939 7.0939 7.8990 7.8990 7.9814 7.9814 8.4509 8.4509
8.7658 8.7658 8.8470 8.8470 9.0911 9.0911 9.5178 9.5178
9.5263 9.5263 9.8504 9.8504 10.3823 10.3823 11.5079 11.5079
11.7268 11.7268
k = 0.0987 0.4149 0.7324 ( 7646 PWs) bands (ev):
-68.7144 -68.7144 -68.7144 -68.7144 -38.4823 -38.4823 -38.4821 -38.4821
-37.3038 -37.3038 -37.3023 -37.3023 -37.2489 -37.2489 -37.2472 -37.2472
-31.0629 -31.0629 -12.3622 -12.3622 -12.0188 -12.0188 -11.9284 -11.9284
0.3507 0.3507 2.2872 2.2872 5.6804 5.6804 6.0804 6.0804
7.0693 7.0693 7.9073 7.9073 7.9585 7.9585 8.4496 8.4496
8.7493 8.7493 8.8350 8.8350 9.0652 9.0652 9.5258 9.5258
9.5399 9.5399 9.8563 9.8563 10.3471 10.3471 11.4790 11.4790
11.6480 11.6480
k = 0.1053 0.4027 0.7463 ( 7648 PWs) bands (ev):
-68.7145 -68.7145 -68.7145 -68.7145 -38.4823 -38.4823 -38.4821 -38.4821
-37.3043 -37.3043 -37.3026 -37.3026 -37.2485 -37.2485 -37.2467 -37.2467
-31.0628 -31.0628 -12.3626 -12.3626 -12.0195 -12.0195 -11.9285 -11.9285
0.3606 0.3606 2.3113 2.3113 5.6952 5.6952 6.0783 6.0783
7.0479 7.0479 7.9136 7.9136 7.9358 7.9358 8.4463 8.4463
8.7323 8.7323 8.8250 8.8250 9.0391 9.0391 9.5314 9.5314
9.5521 9.5521 9.8626 9.8626 10.3171 10.3171 11.4492 11.4492
11.5737 11.5737
k = 0.1118 0.3906 0.7601 ( 7644 PWs) bands (ev):
-68.7143 -68.7143 -68.7143 -68.7143 -38.4824 -38.4824 -38.4822 -38.4822
-37.3047 -37.3047 -37.3030 -37.3030 -37.2481 -37.2481 -37.2463 -37.2463
-31.0627 -31.0627 -12.3630 -12.3630 -12.0203 -12.0203 -11.9286 -11.9286
0.3708 0.3708 2.3362 2.3362 5.7098 5.7098 6.0739 6.0739
7.0306 7.0306 7.9088 7.9088 7.9238 7.9238 8.4434 8.4434
8.7182 8.7182 8.8159 8.8159 9.0137 9.0137 9.5371 9.5371
9.5665 9.5665 9.8681 9.8681 10.2859 10.2859 11.4191 11.4191
11.5058 11.5058
k = 0.1184 0.3784 0.7739 ( 7642 PWs) bands (ev):
-68.7142 -68.7142 -68.7142 -68.7142 -38.4824 -38.4824 -38.4822 -38.4822
-37.3051 -37.3051 -37.3033 -37.3033 -37.2478 -37.2478 -37.2458 -37.2458
-31.0627 -31.0627 -12.3634 -12.3634 -12.0210 -12.0210 -11.9287 -11.9287
0.3812 0.3812 2.3620 2.3620 5.7240 5.7240 6.0672 6.0672
7.0171 7.0171 7.8886 7.8886 7.9253 7.9253 8.4383 8.4383
8.7053 8.7053 8.8087 8.8087 8.9892 8.9892 9.5410 9.5410
9.5784 9.5784 9.8717 9.8717 10.2545 10.2545 11.3886 11.3886
11.4444 11.4444
k = 0.1250 0.3662 0.7877 ( 7634 PWs) bands (ev):
-68.7137 -68.7137 -68.7137 -68.7137 -38.4825 -38.4825 -38.4822 -38.4822
-37.3055 -37.3055 -37.3037 -37.3037 -37.2474 -37.2474 -37.2454 -37.2454
-31.0626 -31.0626 -12.3638 -12.3638 -12.0218 -12.0218 -11.9288 -11.9288
0.3918 0.3918 2.3884 2.3884 5.7374 5.7374 6.0579 6.0579
7.0072 7.0072 7.8700 7.8700 7.9260 7.9260 8.4294 8.4294
8.6942 8.6942 8.8044 8.8044 8.9669 8.9669 9.5425 9.5425
9.5945 9.5945 9.8785 9.8785 10.2245 10.2245 11.3561 11.3561
11.3916 11.3916
k = 0.1316 0.3541 0.8015 ( 7634 PWs) bands (ev):
-68.7137 -68.7137 -68.7137 -68.7137 -38.4825 -38.4825 -38.4823 -38.4823
-37.3059 -37.3059 -37.3041 -37.3041 -37.2470 -37.2470 -37.2449 -37.2449
-31.0625 -31.0625 -12.3643 -12.3643 -12.0226 -12.0226 -11.9289 -11.9289
0.4025 0.4025 2.4153 2.4153 5.7498 5.7498 6.0460 6.0460
7.0016 7.0016 7.8503 7.8503 7.9248 7.9248 8.4190 8.4190
8.6843 8.6843 8.8009 8.8009 8.9451 8.9451 9.5425 9.5425
9.6038 9.6038 9.8821 9.8821 10.1935 10.1935 11.3222 11.3222
11.3422 11.3422
k = 0.1382 0.3419 0.8154 ( 7634 PWs) bands (ev):
-68.7138 -68.7138 -68.7138 -68.7138 -38.4826 -38.4826 -38.4823 -38.4823
-37.3063 -37.3063 -37.3044 -37.3044 -37.2466 -37.2466 -37.2445 -37.2445
-31.0624 -31.0624 -12.3647 -12.3647 -12.0233 -12.0233 -11.9289 -11.9289
0.4132 0.4132 2.4426 2.4426 5.7610 5.7610 6.0319 6.0319
7.0007 7.0007 7.8316 7.8316 7.9219 7.9219 8.4097 8.4097
8.6742 8.6742 8.7979 8.7979 8.9238 8.9238 9.5415 9.5415
9.6136 9.6136 9.8839 9.8839 10.1610 10.1610 11.2866 11.2866
11.3011 11.3011
k = 0.1447 0.3298 0.8292 ( 7636 PWs) bands (ev):
-68.7139 -68.7139 -68.7139 -68.7139 -38.4826 -38.4826 -38.4824 -38.4824
-37.3067 -37.3067 -37.3048 -37.3048 -37.2463 -37.2463 -37.2441 -37.2441
-31.0623 -31.0623 -12.3652 -12.3652 -12.0241 -12.0241 -11.9290 -11.9290
0.4238 0.4238 2.4700 2.4700 5.7706 5.7706 6.0158 6.0158
7.0032 7.0032 7.8147 7.8147 7.9171 7.9171 8.3963 8.3963
8.6638 8.6638 8.7954 8.7954 8.9045 8.9045 9.5415 9.5415
9.6206 9.6206 9.8858 9.8858 10.1314 10.1314 11.2486 11.2486
11.2685 11.2685
k = 0.1513 0.3176 0.8430 ( 7642 PWs) bands (ev):
-68.7143 -68.7143 -68.7143 -68.7143 -38.4827 -38.4827 -38.4824 -38.4824
-37.3071 -37.3071 -37.3051 -37.3051 -37.2459 -37.2459 -37.2437 -37.2437
-31.0622 -31.0622 -12.3657 -12.3657 -12.0248 -12.0248 -11.9290 -11.9290
0.4343 0.4343 2.4973 2.4973 5.7790 5.7790 5.9981 5.9981
7.0095 7.0095 7.7991 7.7991 7.9105 7.9105 8.3829 8.3829
8.6558 8.6558 8.7927 8.7927 8.8850 8.8850 9.5387 9.5387
9.6239 9.6239 9.8847 9.8847 10.0993 10.0993 11.2143 11.2143
11.2407 11.2407
k = 0.1579 0.3055 0.8568 ( 7642 PWs) bands (ev):
-68.7143 -68.7143 -68.7143 -68.7143 -38.4827 -38.4827 -38.4825 -38.4825
-37.3074 -37.3074 -37.3055 -37.3055 -37.2456 -37.2456 -37.2434 -37.2434
-31.0621 -31.0621 -12.3661 -12.3661 -12.0256 -12.0256 -11.9290 -11.9290
0.4446 0.4446 2.5245 2.5245 5.7856 5.7856 5.9787 5.9787
7.0186 7.0186 7.7862 7.7862 7.9027 7.9027 8.3675 8.3675
8.6494 8.6494 8.7919 8.7919 8.8688 8.8688 9.5375 9.5375
9.6285 9.6285 9.8873 9.8873 10.0716 10.0716 11.1830 11.1830
11.2127 11.2127
k = 0.1645 0.2933 0.8706 ( 7652 PWs) bands (ev):
-68.7150 -68.7150 -68.7150 -68.7150 -38.4828 -38.4828 -38.4825 -38.4825
-37.3078 -37.3078 -37.3058 -37.3058 -37.2453 -37.2453 -37.2430 -37.2430
-31.0620 -31.0620 -12.3665 -12.3665 -12.0263 -12.0263 -11.9290 -11.9290
0.4546 0.4546 2.5510 2.5510 5.7909 5.7909 5.9583 5.9583
7.0303 7.0303 7.7752 7.7752 7.8936 7.8936 8.3499 8.3499
8.6430 8.6430 8.7885 8.7885 8.8526 8.8526 9.5382 9.5382
9.6276 9.6276 9.8838 9.8838 10.0424 10.0424 11.1549 11.1549
11.1864 11.1864
k = 0.1711 0.2812 0.8845 ( 7652 PWs) bands (ev):
-68.7150 -68.7150 -68.7150 -68.7150 -38.4828 -38.4828 -38.4826 -38.4826
-37.3081 -37.3081 -37.3061 -37.3061 -37.2450 -37.2450 -37.2427 -37.2427
-31.0619 -31.0619 -12.3670 -12.3670 -12.0269 -12.0269 -11.9290 -11.9290
0.4642 0.4642 2.5771 2.5771 5.7942 5.7942 5.9380 5.9380
7.0449 7.0449 7.7669 7.7669 7.8839 7.8839 8.3355 8.3355
8.6371 8.6371 8.7866 8.7866 8.8396 8.8396 9.5378 9.5378
9.6283 9.6283 9.8827 9.8827 10.0152 10.0152 11.1316 11.1316
11.1653 11.1653
k = 0.1776 0.2690 0.8983 ( 7648 PWs) bands (ev):
-68.7148 -68.7148 -68.7147 -68.7147 -38.4829 -38.4829 -38.4826 -38.4826
-37.3084 -37.3084 -37.3064 -37.3064 -37.2447 -37.2447 -37.2424 -37.2424
-31.0618 -31.0618 -12.3674 -12.3674 -12.0276 -12.0276 -11.9290 -11.9290
0.4734 0.4734 2.6022 2.6022 5.7965 5.7965 5.9176 5.9176
7.0611 7.0611 7.7612 7.7612 7.8734 7.8734 8.3197 8.3197
8.6337 8.6337 8.7845 8.7845 8.8282 8.8282 9.5396 9.5396
9.6280 9.6280 9.8817 9.8817 9.9908 9.9908 11.1150 11.1150
11.1471 11.1471
k = 0.1842 0.2569 0.9121 ( 7654 PWs) bands (ev):
-68.7151 -68.7151 -68.7151 -68.7151 -38.4829 -38.4829 -38.4827 -38.4827
-37.3087 -37.3087 -37.3066 -37.3066 -37.2444 -37.2444 -37.2421 -37.2421
-31.0618 -31.0618 -12.3677 -12.3677 -12.0282 -12.0282 -11.9290 -11.9290
0.4821 0.4821 2.6262 2.6262 5.7967 5.7967 5.8972 5.8972
7.0782 7.0782 7.7573 7.7573 7.8621 7.8621 8.3028 8.3028
8.6293 8.6293 8.7808 8.7808 8.8178 8.8178 9.5406 9.5406
9.6243 9.6243 9.8793 9.8793 9.9674 9.9674 11.0972 11.0972
11.1272 11.1272
k = 0.1908 0.2447 0.9259 ( 7656 PWs) bands (ev):
-68.7153 -68.7153 -68.7153 -68.7153 -38.4830 -38.4830 -38.4827 -38.4827
-37.3090 -37.3090 -37.3069 -37.3069 -37.2442 -37.2442 -37.2418 -37.2418
-31.0617 -31.0617 -12.3681 -12.3681 -12.0287 -12.0287 -11.9290 -11.9290
0.4902 0.4902 2.6487 2.6487 5.7959 5.7959 5.8777 5.8777
7.0961 7.0961 7.7557 7.7557 7.8503 7.8503 8.2864 8.2864
8.6273 8.6273 8.7775 8.7775 8.8096 8.8096 9.5440 9.5440
9.6205 9.6205 9.8762 9.8762 9.9461 9.9461 11.0824 11.0824
11.1088 11.1088
k = 0.1974 0.2326 0.9397 ( 7658 PWs) bands (ev):
-68.7154 -68.7154 -68.7154 -68.7154 -38.4830 -38.4830 -38.4827 -38.4827
-37.3092 -37.3092 -37.3071 -37.3071 -37.2439 -37.2439 -37.2416 -37.2416
-31.0616 -31.0616 -12.3684 -12.3684 -12.0292 -12.0292 -11.9290 -11.9290
0.4976 0.4976 2.6698 2.6698 5.7941 5.7941 5.8596 5.8596
7.1140 7.1140 7.7558 7.7558 7.8383 7.8383 8.2695 8.2695
8.6256 8.6256 8.7749 8.7749 8.8032 8.8032 9.5460 9.5460
9.6138 9.6138 9.8729 9.8729 9.9269 9.9269 11.0730 11.0730
11.0958 11.0958
k = 0.2039 0.2204 0.9536 ( 7666 PWs) bands (ev):
-68.7159 -68.7159 -68.7159 -68.7159 -38.4831 -38.4831 -38.4828 -38.4828
-37.3094 -37.3094 -37.3073 -37.3073 -37.2438 -37.2438 -37.2414 -37.2414
-31.0616 -31.0616 -12.3687 -12.3687 -12.0297 -12.0297 -11.9290 -11.9290
0.5043 0.5043 2.6889 2.6889 5.7917 5.7917 5.8431 5.8431
7.1316 7.1316 7.7576 7.7576 7.8264 7.8264 8.2530 8.2530
8.6243 8.6243 8.7692 8.7692 8.7955 8.7955 9.5480 9.5480
9.6066 9.6066 9.8673 9.8673 9.9076 9.9076 11.0650 11.0650
11.0835 11.0835
k = 0.2105 0.2083 0.9674 ( 7666 PWs) bands (ev):
-68.7159 -68.7159 -68.7159 -68.7159 -38.4831 -38.4831 -38.4828 -38.4828
-37.3096 -37.3096 -37.3075 -37.3075 -37.2436 -37.2436 -37.2412 -37.2412
-31.0615 -31.0615 -12.3690 -12.3690 -12.0301 -12.0301 -11.9290 -11.9290
0.5103 0.5103 2.7060 2.7060 5.7885 5.7885 5.8286 5.8286
7.1484 7.1484 7.7605 7.7605 7.8152 7.8152 8.2383 8.2383
8.6253 8.6253 8.7658 8.7658 8.7915 8.7915 9.5532 9.5532
9.5986 9.5986 9.8620 9.8620 9.8930 9.8930 11.0589 11.0589
11.0734 11.0734
k = 0.2171 0.1961 0.9812 ( 7668 PWs) bands (ev):
-68.7160 -68.7160 -68.7160 -68.7160 -38.4831 -38.4831 -38.4828 -38.4828
-37.3098 -37.3098 -37.3076 -37.3076 -37.2434 -37.2434 -37.2410 -37.2410
-31.0615 -31.0615 -12.3693 -12.3693 -12.0304 -12.0304 -11.9289 -11.9289
0.5154 0.5154 2.7209 2.7209 5.7848 5.7848 5.8163 5.8163
7.1638 7.1638 7.7637 7.7637 7.8053 7.8053 8.2250 8.2250
8.6251 8.6251 8.7618 8.7618 8.7868 8.7868 9.5561 9.5561
9.5920 9.5920 9.8582 9.8582 9.8808 9.8808 11.0544 11.0544
11.0657 11.0657
k = 0.2237 0.1839 0.9950 ( 7670 PWs) bands (ev):
-68.7162 -68.7162 -68.7162 -68.7162 -38.4831 -38.4831 -38.4828 -38.4828
-37.3099 -37.3099 -37.3078 -37.3078 -37.2433 -37.2433 -37.2409 -37.2409
-31.0615 -31.0615 -12.3694 -12.3694 -12.0307 -12.0307 -11.9289 -11.9289
0.5197 0.5197 2.7334 2.7334 5.7809 5.7809 5.8066 5.8066
7.1774 7.1774 7.7676 7.7676 7.7963 7.7963 8.2142 8.2142
8.6255 8.6255 8.7583 8.7583 8.7835 8.7835 9.5588 9.5588
9.5846 9.5846 9.8533 9.8533 9.8702 9.8702 11.0507 11.0507
11.0594 11.0594
k = 0.2303 0.1718 1.0088 ( 7674 PWs) bands (ev):
-68.7164 -68.7164 -68.7164 -68.7164 -38.4831 -38.4831 -38.4829 -38.4829
-37.3100 -37.3100 -37.3079 -37.3079 -37.2432 -37.2432 -37.2408 -37.2408
-31.0614 -31.0614 -12.3696 -12.3696 -12.0309 -12.0309 -11.9289 -11.9289
0.5230 0.5230 2.7432 2.7432 5.7769 5.7769 5.7994 5.7994
7.1883 7.1883 7.7711 7.7711 7.7890 7.7890 8.2041 8.2041
8.6244 8.6244 8.7561 8.7561 8.7818 8.7818 9.5608 9.5608
9.5774 9.5774 9.8489 9.8489 9.8613 9.8613 11.0487 11.0487
11.0556 11.0556
k = 0.2368 0.1596 1.0227 ( 7674 PWs) bands (ev):
-68.7164 -68.7164 -68.7164 -68.7164 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3079 -37.3079 -37.2431 -37.2431 -37.2407 -37.2407
-31.0614 -31.0614 -12.3697 -12.3697 -12.0311 -12.0311 -11.9289 -11.9289
0.5254 0.5254 2.7504 2.7504 5.7736 5.7736 5.7946 5.7946
7.1967 7.1967 7.7739 7.7739 7.7838 7.7838 8.1978 8.1978
8.6255 8.6255 8.7541 8.7541 8.7801 8.7801 9.5639 9.5639
9.5738 9.5738 9.8455 9.8455 9.8546 9.8546 11.0462 11.0462
11.0514 11.0514
k = 0.2434 0.1475 1.0365 ( 7666 PWs) bands (ev):
-68.7159 -68.7159 -68.7159 -68.7159 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2407 -37.2407
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5269 0.5269 2.7547 2.7547 5.7715 5.7715 5.7920 5.7920
7.2019 7.2019 7.7758 7.7758 7.7812 7.7812 8.1936 8.1936
8.6261 8.6261 8.7548 8.7548 8.7810 8.7810 9.5672 9.5672
9.5715 9.5715 9.8463 9.8463 9.8540 9.8540 11.0468 11.0468
11.0510 11.0510
k = 0.2500 0.1353 1.0503 ( 7668 PWs) bands (ev):
-68.7161 -68.7161 -68.7161 -68.7161 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5274 0.5274 2.7562 2.7562 5.7707 5.7707 5.7911 5.7911
7.2037 7.2037 7.7760 7.7760 7.7803 7.7803 8.1924 8.1924
8.6264 8.6264 8.7542 8.7542 8.7806 8.7806 9.5665 9.5665
9.5690 9.5690 9.8457 9.8457 9.8528 9.8528 11.0458 11.0458
11.0496 11.0496
k = 0.2500 0.1353 1.0503 ( 7668 PWs) bands (ev):
-68.7161 -68.7161 -68.7161 -68.7161 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5274 0.5274 2.7562 2.7562 5.7707 5.7707 5.7911 5.7911
7.2037 7.2037 7.7760 7.7760 7.7803 7.7803 8.1924 8.1924
8.6264 8.6264 8.7542 8.7542 8.7806 8.7806 9.5665 9.5665
9.5690 9.5690 9.8457 9.8457 9.8528 9.8528 11.0458 11.0458
11.0496 11.0496
k = 0.2647 0.1433 1.0413 ( 7664 PWs) bands (ev):
-68.7158 -68.7158 -68.7158 -68.7158 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5273 0.5273 2.7559 2.7559 5.7587 5.7587 5.8050 5.8050
7.2031 7.2031 7.7280 7.7280 7.8287 7.8287 8.1931 8.1931
8.6265 8.6265 8.7530 8.7530 8.7814 8.7814 9.5613 9.5613
9.5761 9.5761 9.8455 9.8455 9.8534 9.8534 11.0369 11.0369
11.0641 11.0641
k = 0.2794 0.1513 1.0322 ( 7674 PWs) bands (ev):
-68.7166 -68.7166 -68.7163 -68.7163 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3079 -37.3079 -37.2431 -37.2431 -37.2407 -37.2407
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5270 0.5270 2.7548 2.7548 5.7401 5.7401 5.8263 5.8263
7.2008 7.2008 7.6784 7.6784 7.8781 7.8781 8.1934 8.1934
8.6251 8.6251 8.7462 8.7462 8.7807 8.7807 9.5566 9.5566
9.5840 9.5840 9.8471 9.8471 9.8536 9.8536 11.0180 11.0180
11.0715 11.0715
k = 0.2941 0.1592 1.0231 ( 7679 PWs) bands (ev):
-68.7173 -68.7173 -68.7161 -68.7161 -38.4832 -38.4832 -38.4828 -38.4828
-37.3102 -37.3102 -37.3079 -37.3079 -37.2431 -37.2431 -37.2407 -37.2407
-31.0614 -31.0614 -12.3698 -12.3698 -12.0311 -12.0311 -11.9289 -11.9289
0.5266 0.5266 2.7529 2.7529 5.7227 5.7227 5.8499 5.8499
7.1974 7.1974 7.6298 7.6298 7.9269 7.9269 8.1957 8.1957
8.6248 8.6248 8.7357 8.7357 8.7842 8.7842 9.5516 9.5516
9.5909 9.5909 9.8476 9.8476 9.8558 9.8558 10.9997 10.9997
11.0835 11.0835
k = 0.3088 0.1672 1.0141 ( 7676 PWs) bands (ev):
-68.7171 -68.7171 -68.7160 -68.7160 -38.4832 -38.4832 -38.4828 -38.4828
-37.3102 -37.3102 -37.3078 -37.3078 -37.2431 -37.2431 -37.2408 -37.2408
-31.0614 -31.0614 -12.3697 -12.3697 -12.0311 -12.0311 -11.9289 -11.9289
0.5261 0.5261 2.7501 2.7501 5.7075 5.7075 5.8747 5.8747
7.1925 7.1925 7.5825 7.5825 7.9752 7.9752 8.1997 8.1997
8.6261 8.6261 8.7270 8.7270 8.7881 8.7881 9.5478 9.5478
9.5976 9.5976 9.8489 9.8489 9.8609 9.8609 10.9896 10.9896
11.0921 11.0921
k = 0.3235 0.1751 1.0050 ( 7676 PWs) bands (ev):
-68.7168 -68.7168 -68.7163 -68.7163 -38.4832 -38.4832 -38.4828 -38.4828
-37.3102 -37.3102 -37.3078 -37.3078 -37.2431 -37.2431 -37.2408 -37.2408
-31.0614 -31.0614 -12.3697 -12.3697 -12.0310 -12.0310 -11.9289 -11.9289
0.5256 0.5256 2.7461 2.7461 5.6935 5.6935 5.9010 5.9010
7.1853 7.1853 7.5370 7.5370 8.0224 8.0224 8.2024 8.2024
8.6258 8.6258 8.7197 8.7197 8.7904 8.7904 9.5481 9.5481
9.6031 9.6031 9.8480 9.8480 9.8679 9.8679 10.9763 10.9763
11.1025 11.1025
k = 0.3382 0.1831 0.9960 ( 7669 PWs) bands (ev):
-68.7166 -68.7166 -68.7157 -68.7157 -38.4833 -38.4833 -38.4827 -38.4827
-37.3102 -37.3102 -37.3077 -37.3077 -37.2431 -37.2431 -37.2409 -37.2409
-31.0614 -31.0614 -12.3696 -12.3696 -12.0310 -12.0310 -11.9289 -11.9289
0.5250 0.5250 2.7411 2.7411 5.6813 5.6813 5.9283 5.9283
7.1764 7.1764 7.4939 7.4939 8.0682 8.0682 8.2075 8.2075
8.6272 8.6272 8.7109 8.7109 8.7964 8.7964 9.5489 9.5489
9.6083 9.6083 9.8502 9.8502 9.8781 9.8781 10.9631 10.9631
11.1132 11.1132
k = 0.3529 0.1911 0.9869 ( 7660 PWs) bands (ev):
-68.7158 -68.7158 -68.7153 -68.7153 -38.4833 -38.4833 -38.4827 -38.4827
-37.3102 -37.3102 -37.3075 -37.3075 -37.2431 -37.2431 -37.2409 -37.2409
-31.0614 -31.0614 -12.3696 -12.3696 -12.0309 -12.0309 -11.9289 -11.9289
0.5245 0.5245 2.7348 2.7348 5.6707 5.6707 5.9567 5.9567
7.1649 7.1649 7.4537 7.4537 8.1126 8.1126 8.2129 8.2129
8.6288 8.6288 8.7038 8.7038 8.8001 8.8001 9.5525 9.5525
9.6120 9.6120 9.8520 9.8520 9.8924 9.8924 10.9516 10.9516
11.1221 11.1221
k = 0.3676 0.1990 0.9779 ( 7652 PWs) bands (ev):
-68.7153 -68.7153 -68.7148 -68.7148 -38.4833 -38.4833 -38.4826 -38.4826
-37.3102 -37.3102 -37.3074 -37.3074 -37.2431 -37.2431 -37.2409 -37.2409
-31.0615 -31.0615 -12.3695 -12.3695 -12.0308 -12.0308 -11.9289 -11.9289
0.5240 0.5240 2.7273 2.7273 5.6620 5.6620 5.9865 5.9865
7.1507 7.1507 7.4173 7.4173 8.1549 8.1549 8.2202 8.2202
8.6318 8.6318 8.6948 8.6948 8.8023 8.8023 9.5575 9.5575
9.6152 9.6152 9.8521 9.8521 9.9075 9.9075 10.9393 10.9393
11.1296 11.1296
k = 0.3824 0.2070 0.9688 ( 7642 PWs) bands (ev):
-68.7148 -68.7148 -68.7141 -68.7141 -38.4834 -38.4834 -38.4825 -38.4825
-37.3103 -37.3103 -37.3072 -37.3072 -37.2431 -37.2431 -37.2410 -37.2410
-31.0615 -31.0615 -12.3694 -12.3694 -12.0306 -12.0306 -11.9289 -11.9289
0.5236 0.5236 2.7185 2.7185 5.6550 5.6550 6.0171 6.0171
7.1334 7.1334 7.3853 7.3853 8.1933 8.1933 8.2293 8.2293
8.6327 8.6327 8.6861 8.6861 8.8057 8.8057 9.5643 9.5643
9.6166 9.6166 9.8525 9.8525 9.9271 9.9271 10.9279 10.9279
11.1387 11.1387
k = 0.3971 0.2149 0.9598 ( 7643 PWs) bands (ev):
-68.7153 -68.7153 -68.7137 -68.7137 -38.4835 -38.4835 -38.4824 -38.4824
-37.3103 -37.3103 -37.3071 -37.3071 -37.2431 -37.2431 -37.2411 -37.2411
-31.0615 -31.0615 -12.3693 -12.3693 -12.0305 -12.0305 -11.9290 -11.9290
0.5231 0.5231 2.7082 2.7082 5.6500 5.6500 6.0481 6.0481
7.1129 7.1129 7.3579 7.3579 8.2215 8.2215 8.2453 8.2453
8.6322 8.6322 8.6734 8.6734 8.8064 8.8064 9.5694 9.5694
9.6160 9.6160 9.8529 9.8529 9.9460 9.9460 10.9137 10.9137
11.1441 11.1441
k = 0.4118 0.2229 0.9507 ( 7642 PWs) bands (ev):
-68.7153 -68.7153 -68.7136 -68.7136 -38.4835 -38.4835 -38.4823 -38.4823
-37.3104 -37.3104 -37.3069 -37.3069 -37.2432 -37.2432 -37.2412 -37.2412
-31.0615 -31.0615 -12.3692 -12.3692 -12.0304 -12.0304 -11.9290 -11.9290
0.5227 0.5227 2.6967 2.6967 5.6470 5.6470 6.0791 6.0791
7.0897 7.0897 7.3355 7.3355 8.2347 8.2347 8.2738 8.2738
8.6316 8.6316 8.6613 8.6613 8.8058 8.8058 9.5771 9.5771
9.6144 9.6144 9.8514 9.8514 9.9702 9.9702 10.9033 10.9033
11.1467 11.1467
k = 0.4265 0.2309 0.9417 ( 7650 PWs) bands (ev):
-68.7155 -68.7155 -68.7144 -68.7144 -38.4836 -38.4836 -38.4823 -38.4823
-37.3105 -37.3105 -37.3067 -37.3067 -37.2432 -37.2432 -37.2413 -37.2413
-31.0615 -31.0615 -12.3691 -12.3691 -12.0302 -12.0302 -11.9290 -11.9290
0.5223 0.5223 2.6840 2.6840 5.6457 5.6457 6.1093 6.1093
7.0644 7.0644 7.3174 7.3174 8.2394 8.2394 8.3031 8.3031
8.6291 8.6291 8.6507 8.6507 8.8030 8.8030 9.5858 9.5858
9.6121 9.6121 9.8493 9.8493 9.9937 9.9937 10.8925 10.8925
11.1469 11.1469
k = 0.4412 0.2388 0.9326 ( 7655 PWs) bands (ev):
-68.7158 -68.7158 -68.7148 -68.7148 -38.4837 -38.4837 -38.4822 -38.4822
-37.3105 -37.3105 -37.3065 -37.3065 -37.2433 -37.2433 -37.2415 -37.2415
-31.0615 -31.0615 -12.3690 -12.3690 -12.0300 -12.0300 -11.9290 -11.9290
0.5219 0.5219 2.6702 2.6702 5.6465 5.6465 6.1388 6.1388
7.0383 7.0383 7.3040 7.3040 8.2453 8.2453 8.3296 8.3296
8.6256 8.6256 8.6425 8.6425 8.8003 8.8003 9.5920 9.5920
9.6141 9.6141 9.8456 9.8456 10.0181 10.0181 10.8815 10.8815
11.1459 11.1459
k = 0.4559 0.2468 0.9236 ( 7655 PWs) bands (ev):
-68.7155 -68.7155 -68.7150 -68.7150 -38.4838 -38.4838 -38.4821 -38.4821
-37.3106 -37.3106 -37.3063 -37.3063 -37.2433 -37.2433 -37.2416 -37.2416
-31.0616 -31.0616 -12.3689 -12.3689 -12.0299 -12.0299 -11.9290 -11.9290
0.5214 0.5214 2.6556 2.6556 5.6494 5.6494 6.1665 6.1665
7.0126 7.0126 7.2945 7.2945 8.2499 8.2499 8.3508 8.3508
8.6223 8.6223 8.6406 8.6406 8.8001 8.8001 9.5917 9.5917
9.6230 9.6230 9.8429 9.8429 10.0423 10.0423 10.8744 10.8744
11.1462 11.1462
k = 0.4706 0.2547 0.9145 ( 7649 PWs) bands (ev):
-68.7152 -68.7152 -68.7146 -68.7146 -38.4838 -38.4838 -38.4819 -38.4819
-37.3106 -37.3106 -37.3060 -37.3060 -37.2433 -37.2433 -37.2417 -37.2417
-31.0616 -31.0616 -12.3687 -12.3687 -12.0297 -12.0297 -11.9290 -11.9290
0.5208 0.5208 2.6402 2.6402 5.6543 5.6543 6.1919 6.1919
6.9884 6.9884 7.2888 7.2888 8.2561 8.2561 8.3657 8.3657
8.6185 8.6185 8.6396 8.6396 8.8012 8.8012 9.5888 9.5888
9.6367 9.6367 9.8436 9.8436 10.0694 10.0694 10.8695 10.8695
11.1488 11.1488
k = 0.4853 0.2627 0.9055 ( 7643 PWs) bands (ev):
-68.7146 -68.7146 -68.7144 -68.7144 -38.4839 -38.4839 -38.4818 -38.4818
-37.3107 -37.3107 -37.3058 -37.3058 -37.2433 -37.2433 -37.2419 -37.2419
-31.0616 -31.0616 -12.3686 -12.3686 -12.0294 -12.0294 -11.9290 -11.9290
0.5201 0.5201 2.6242 2.6242 5.6610 5.6610 6.2141 6.2141
6.9664 6.9664 7.2868 7.2868 8.2611 8.2611 8.3728 8.3728
8.6216 8.6216 8.6420 8.6420 8.7976 8.7976 9.5841 9.5841
9.6542 9.6542 9.8451 9.8451 10.0941 10.0941 10.8657 10.8657
11.1499 11.1499
k = 0.5000 0.2707 0.8964 ( 7642 PWs) bands (ev):
-68.7146 -68.7146 -68.7142 -68.7142 -38.4840 -38.4840 -38.4817 -38.4817
-37.3108 -37.3108 -37.3055 -37.3055 -37.2434 -37.2434 -37.2420 -37.2420
-31.0616 -31.0616 -12.3684 -12.3684 -12.0292 -12.0292 -11.9291 -11.9291
0.5192 0.5192 2.6076 2.6076 5.6699 5.6699 6.2316 6.2316
6.9477 6.9477 7.2885 7.2885 8.2671 8.2671 8.3717 8.3717
8.6233 8.6233 8.6421 8.6421 8.7967 8.7967 9.5792 9.5792
9.6708 9.6708 9.8462 9.8462 10.1171 10.1171 10.8644 10.8644
11.1509 11.1509
k = 0.5000 0.2707 0.8964 ( 7642 PWs) bands (ev):
-68.7146 -68.7146 -68.7142 -68.7142 -38.4840 -38.4840 -38.4817 -38.4817
-37.3108 -37.3108 -37.3055 -37.3055 -37.2434 -37.2434 -37.2420 -37.2420
-31.0616 -31.0616 -12.3684 -12.3684 -12.0292 -12.0292 -11.9291 -11.9291
0.5192 0.5192 2.6076 2.6076 5.6699 5.6699 6.2316 6.2316
6.9477 6.9477 7.2885 7.2885 8.2671 8.2671 8.3717 8.3717
8.6233 8.6233 8.6421 8.6421 8.7967 8.7967 9.5792 9.5792
9.6708 9.6708 9.8462 9.8462 10.1171 10.1171 10.8644 10.8644
11.1509 11.1509
k = 0.5000 0.2707 0.8769 ( 7642 PWs) bands (ev):
-68.7150 -68.7150 -68.7138 -68.7138 -38.4843 -38.4843 -38.4814 -38.4814
-37.3110 -37.3110 -37.3049 -37.3049 -37.2434 -37.2434 -37.2424 -37.2424
-31.0617 -31.0617 -12.3681 -12.3681 -12.0287 -12.0287 -11.9291 -11.9291
0.5167 0.5167 2.5701 2.5701 5.6923 5.6923 6.2659 6.2659
6.9106 6.9106 7.2958 7.2958 8.2796 8.2796 8.3605 8.3605
8.6295 8.6295 8.6492 8.6492 8.7918 8.7918 9.5707 9.5707
9.7094 9.7094 9.8438 9.8438 10.1633 10.1633 10.8632 10.8632
11.1528 11.1528
k = 0.5000 0.2707 0.8574 ( 7656 PWs) bands (ev):
-68.7157 -68.7157 -68.7149 -68.7149 -38.4846 -38.4846 -38.4811 -38.4811
-37.3112 -37.3112 -37.3042 -37.3042 -37.2435 -37.2435 -37.2428 -37.2428
-31.0618 -31.0618 -12.3677 -12.3677 -12.0281 -12.0281 -11.9292 -11.9292
0.5137 0.5137 2.5294 2.5294 5.7172 5.7172 6.3009 6.3009
6.8731 6.8731 7.3020 7.3020 8.2902 8.2902 8.3475 8.3475
8.6282 8.6282 8.6631 8.6631 8.7808 8.7808 9.5594 9.5594
9.7487 9.7487 9.8422 9.8422 10.2116 10.2116 10.8631 10.8631
11.1500 11.1500
k = 0.5000 0.2707 0.8380 ( 7664 PWs) bands (ev):
-68.7161 -68.7161 -68.7156 -68.7156 -38.4849 -38.4849 -38.4807 -38.4807
-37.3115 -37.3115 -37.3034 -37.3034 -37.2437 -37.2437 -37.2433 -37.2433
-31.0619 -31.0619 -12.3672 -12.3672 -12.0275 -12.0275 -11.9292 -11.9292
0.5101 0.5101 2.4862 2.4862 5.7449 5.7449 6.3394 6.3394
6.8354 6.8354 7.3077 7.3077 8.2970 8.2970 8.3367 8.3367
8.6270 8.6270 8.6781 8.6781 8.7705 8.7705 9.5534 9.5534
9.7920 9.7920 9.8388 9.8388 10.2639 10.2639 10.8632 10.8632
11.1560 11.1560
k = 0.5000 0.2707 0.8185 ( 7656 PWs) bands (ev):
-68.7164 -68.7164 -68.7141 -68.7141 -38.4852 -38.4852 -38.4803 -38.4803
-37.3118 -37.3118 -37.3025 -37.3025 -37.2438 -37.2438 -37.2437 -37.2437
-31.0619 -31.0619 -12.3667 -12.3667 -12.0267 -12.0267 -11.9293 -11.9293
0.5061 0.5061 2.4407 2.4407 5.7744 5.7744 6.3819 6.3819
6.7981 6.7981 7.3139 7.3139 8.2986 8.2986 8.3378 8.3378
8.6265 8.6265 8.6977 8.6977 8.7614 8.7614 9.5522 9.5522
9.8365 9.8365 9.8417 9.8417 10.3190 10.3190 10.8574 10.8574
11.1730 11.1730
k = 0.5000 0.2707 0.7990 ( 7650 PWs) bands (ev):
-68.7160 -68.7160 -68.7137 -68.7137 -38.4855 -38.4855 -38.4798 -38.4798
-37.3121 -37.3121 -37.3016 -37.3016 -37.2442 -37.2442 -37.2438 -37.2438
-31.0620 -31.0620 -12.3662 -12.3662 -12.0260 -12.0260 -11.9293 -11.9293
0.5014 0.5014 2.3932 2.3932 5.8074 5.8074 6.4238 6.4238
6.7614 6.7614 7.3204 7.3204 8.2875 8.2875 8.3495 8.3495
8.6244 8.6244 8.7165 8.7165 8.7514 8.7514 9.5550 9.5550
9.8346 9.8346 9.8956 9.8956 10.3766 10.3766 10.8593 10.8593
11.1851 11.1851
k = 0.5000 0.2707 0.7795 ( 7642 PWs) bands (ev):
-68.7148 -68.7148 -68.7139 -68.7139 -38.4859 -38.4859 -38.4794 -38.4794
-37.3124 -37.3124 -37.3007 -37.3007 -37.2447 -37.2447 -37.2440 -37.2440
-31.0621 -31.0621 -12.3657 -12.3657 -12.0252 -12.0252 -11.9294 -11.9294
0.4960 0.4960 2.3440 2.3440 5.8427 5.8427 6.4666 6.4666
6.7257 6.7257 7.3275 7.3275 8.2720 8.2720 8.3654 8.3654
8.6205 8.6205 8.7382 8.7382 8.7433 8.7433 9.5576 9.5576
9.8308 9.8308 9.9555 9.9555 10.4384 10.4384 10.8603 10.8603
11.2003 11.2003
k = 0.5000 0.2707 0.7600 ( 7650 PWs) bands (ev):
-68.7152 -68.7152 -68.7145 -68.7145 -38.4862 -38.4862 -38.4789 -38.4789
-37.3128 -37.3128 -37.2997 -37.2997 -37.2452 -37.2452 -37.2441 -37.2441
-31.0622 -31.0622 -12.3651 -12.3651 -12.0243 -12.0243 -11.9295 -11.9295
0.4898 0.4898 2.2934 2.2934 5.8803 5.8803 6.5093 6.5093
6.6913 6.6913 7.3340 7.3340 8.2529 8.2529 8.3817 8.3817
8.6146 8.6146 8.7273 8.7273 8.7610 8.7610 9.5578 9.5578
9.8263 9.8263 10.0132 10.0132 10.4980 10.4980 10.8597 10.8597
11.2179 11.2179
k = 0.5000 0.2707 0.7405 ( 7646 PWs) bands (ev):
-68.7150 -68.7150 -68.7142 -68.7142 -38.4866 -38.4866 -38.4784 -38.4784
-37.3132 -37.3132 -37.2986 -37.2986 -37.2458 -37.2458 -37.2443 -37.2443
-31.0623 -31.0623 -12.3645 -12.3645 -12.0234 -12.0234 -11.9295 -11.9295
0.4829 0.4829 2.2418 2.2418 5.9203 5.9203 6.5529 6.5529
6.6590 6.6590 7.3410 7.3410 8.2334 8.2334 8.4002 8.4002
8.6090 8.6090 8.7151 8.7151 8.7869 8.7869 9.5642 9.5642
9.8222 9.8222 10.0734 10.0734 10.5600 10.5600 10.8599 10.8599
11.2431 11.2431
k = 0.5000 0.2707 0.7210 ( 7662 PWs) bands (ev):
-68.7158 -68.7158 -68.7153 -68.7153 -38.4871 -38.4871 -38.4779 -38.4779
-37.3136 -37.3136 -37.2975 -37.2975 -37.2464 -37.2464 -37.2444 -37.2444
-31.0624 -31.0624 -12.3638 -12.3638 -12.0224 -12.0224 -11.9296 -11.9296
0.4751 0.4751 2.1892 2.1892 5.9627 5.9627 6.5895 6.5895
6.6329 6.6329 7.3481 7.3481 8.2119 8.2119 8.4157 8.4157
8.5978 8.5978 8.7010 8.7010 8.8110 8.8110 9.5672 9.5672
9.8164 9.8164 10.1339 10.1339 10.6216 10.6216 10.8587 10.8587
11.2658 11.2658
k = 0.5000 0.2707 0.7015 ( 7658 PWs) bands (ev):
-68.7161 -68.7161 -68.7145 -68.7145 -38.4875 -38.4875 -38.4774 -38.4774
-37.3141 -37.3141 -37.2964 -37.2964 -37.2469 -37.2469 -37.2446 -37.2446
-31.0625 -31.0625 -12.3631 -12.3631 -12.0214 -12.0214 -11.9296 -11.9296
0.4665 0.4665 2.1361 2.1361 6.0074 6.0074 6.5878 6.5878
6.6481 6.6481 7.3564 7.3564 8.1905 8.1905 8.4393 8.4393
8.5896 8.5896 8.6885 8.6885 8.8382 8.8382 9.5799 9.5799
9.8129 9.8129 10.1978 10.1978 10.6859 10.6859 10.8581 10.8581
11.2946 11.2946
k = 0.5000 0.2707 0.6821 ( 7652 PWs) bands (ev):
-68.7154 -68.7154 -68.7144 -68.7144 -38.4880 -38.4880 -38.4768 -38.4768
-37.3145 -37.3145 -37.2951 -37.2951 -37.2475 -37.2475 -37.2447 -37.2447
-31.0627 -31.0627 -12.3624 -12.3624 -12.0203 -12.0203 -11.9297 -11.9297
0.4570 0.4570 2.0827 2.0827 6.0544 6.0544 6.5623 6.5623
6.6889 6.6889 7.3656 7.3656 8.1704 8.1704 8.4613 8.4613
8.5805 8.5805 8.6736 8.6736 8.8680 8.8680 9.5918 9.5918
9.8087 9.8087 10.2634 10.2634 10.7561 10.7561 10.8609 10.8609
11.3286 11.3286
k = 0.5000 0.2707 0.6626 ( 7646 PWs) bands (ev):
-68.7146 -68.7146 -68.7143 -68.7143 -38.4884 -38.4884 -38.4762 -38.4762
-37.3150 -37.3150 -37.2939 -37.2939 -37.2480 -37.2480 -37.2449 -37.2449
-31.0628 -31.0628 -12.3617 -12.3617 -12.0192 -12.0192 -11.9298 -11.9298
0.4466 0.4466 2.0292 2.0292 6.1036 6.1036 6.5366 6.5366
6.7315 6.7315 7.3763 7.3763 8.1490 8.1490 8.4839 8.4839
8.5695 8.5695 8.6590 8.6590 8.9019 8.9019 9.6089 9.6089
9.8011 9.8011 10.3315 10.3315 10.8250 10.8250 10.8622 10.8622
11.3650 11.3650
k = 0.5000 0.2707 0.6431 ( 7638 PWs) bands (ev):
-68.7144 -68.7144 -68.7134 -68.7134 -38.4889 -38.4889 -38.4757 -38.4757
-37.3156 -37.3156 -37.2927 -37.2927 -37.2485 -37.2485 -37.2450 -37.2450
-31.0629 -31.0629 -12.3609 -12.3609 -12.0181 -12.0181 -11.9298 -11.9298
0.4353 0.4353 1.9758 1.9758 6.1550 6.1550 6.5123 6.5123
6.7735 6.7735 7.3880 7.3880 8.1296 8.1296 8.5094 8.5094
8.5578 8.5578 8.6414 8.6414 8.9338 8.9338 9.6229 9.6229
9.7982 9.7982 10.4001 10.4001 10.8650 10.8650 10.9027 10.9027
11.4038 11.4038
k = 0.5000 0.2707 0.6236 ( 7638 PWs) bands (ev):
-68.7151 -68.7151 -68.7127 -68.7127 -38.4894 -38.4894 -38.4751 -38.4751
-37.3161 -37.3161 -37.2914 -37.2914 -37.2490 -37.2490 -37.2452 -37.2452
-31.0630 -31.0630 -12.3601 -12.3601 -12.0169 -12.0169 -11.9299 -11.9299
0.4231 0.4231 1.9227 1.9227 6.2086 6.2086 6.4900 6.4900
6.8152 6.8152 7.4017 7.4017 8.1070 8.1070 8.5296 8.5296
8.5480 8.5480 8.6249 8.6249 8.9661 8.9661 9.6367 9.6367
9.7897 9.7897 10.4709 10.4709 10.8681 10.8681 10.9735 10.9735
11.4455 11.4455
k = 0.5000 0.2707 0.6041 ( 7630 PWs) bands (ev):
-68.7153 -68.7153 -68.7115 -68.7115 -38.4899 -38.4899 -38.4745 -38.4745
-37.3167 -37.3167 -37.2901 -37.2901 -37.2495 -37.2495 -37.2454 -37.2454
-31.0632 -31.0632 -12.3593 -12.3593 -12.0157 -12.0157 -11.9300 -11.9300
0.4100 0.4100 1.8700 1.8700 6.2639 6.2639 6.4695 6.4695
6.8578 6.8578 7.4160 7.4160 8.0863 8.0863 8.5289 8.5289
8.5615 8.5615 8.6084 8.6084 9.0017 9.0017 9.6536 9.6536
9.7834 9.7834 10.5396 10.5396 10.8700 10.8700 11.0495 11.0495
11.4923 11.4923
k = 0.5000 0.2707 0.5846 ( 7626 PWs) bands (ev):
-68.7155 -68.7155 -68.7107 -68.7107 -38.4904 -38.4904 -38.4739 -38.4739
-37.3173 -37.3173 -37.2887 -37.2887 -37.2500 -37.2500 -37.2455 -37.2455
-31.0633 -31.0633 -12.3585 -12.3585 -12.0145 -12.0145 -11.9300 -11.9300
0.3961 0.3961 1.8178 1.8178 6.3210 6.3210 6.4512 6.4512
6.8992 6.8992 7.4320 7.4320 8.0637 8.0637 8.5163 8.5163
8.5674 8.5674 8.6103 8.6103 9.0355 9.0355 9.6705 9.6705
9.7806 9.7806 10.6077 10.6077 10.8717 10.8717 11.1241 11.1241
11.5405 11.5405
k = 0.5000 0.2707 0.5651 ( 7626 PWs) bands (ev):
-68.7157 -68.7157 -68.7105 -68.7105 -38.4909 -38.4909 -38.4733 -38.4733
-37.3179 -37.3179 -37.2874 -37.2874 -37.2505 -37.2505 -37.2457 -37.2457
-31.0634 -31.0634 -12.3576 -12.3576 -12.0132 -12.0132 -11.9301 -11.9301
0.3813 0.3813 1.7664 1.7664 6.3774 6.3774 6.4372 6.4372
6.9399 6.9399 7.4502 7.4502 8.0401 8.0401 8.5036 8.5036
8.5551 8.5551 8.6328 8.6328 9.0671 9.0671 9.6872 9.6872
9.7736 9.7736 10.6757 10.6757 10.8708 10.8708 11.1987 11.1987
11.5890 11.5890
k = 0.5000 0.2707 0.5456 ( 7632 PWs) bands (ev):
-68.7164 -68.7164 -68.7105 -68.7105 -38.4914 -38.4914 -38.4727 -38.4727
-37.3186 -37.3186 -37.2861 -37.2861 -37.2510 -37.2510 -37.2459 -37.2459
-31.0636 -31.0636 -12.3568 -12.3568 -12.0119 -12.0119 -11.9301 -11.9301
0.3658 0.3658 1.7157 1.7157 6.4077 6.4077 6.4525 6.4525
6.9780 6.9780 7.4697 7.4697 8.0174 8.0174 8.4869 8.4869
8.5349 8.5349 8.6613 8.6613 9.0974 9.0974 9.7023 9.7023
9.7727 9.7727 10.7399 10.7399 10.8710 10.8710 11.2761 11.2761
11.6361 11.6361
k = 0.5000 0.2707 0.5262 ( 7628 PWs) bands (ev):
-68.7170 -68.7170 -68.7092 -68.7092 -38.4920 -38.4920 -38.4721 -38.4721
-37.3193 -37.3193 -37.2847 -37.2847 -37.2515 -37.2515 -37.2460 -37.2460
-31.0637 -31.0637 -12.3559 -12.3559 -12.0106 -12.0106 -11.9302 -11.9302
0.3496 0.3496 1.6660 1.6660 6.3993 6.3993 6.5111 6.5111
7.0159 7.0159 7.4921 7.4921 7.9963 7.9963 8.4710 8.4710
8.5110 8.5110 8.6903 8.6903 9.1291 9.1291 9.7214 9.7214
9.7751 9.7751 10.8017 10.8017 10.8807 10.8807 11.3565 11.3565
11.6851 11.6851
k = 0.5000 0.2707 0.5067 ( 7636 PWs) bands (ev):
-68.7172 -68.7172 -68.7100 -68.7100 -38.4925 -38.4925 -38.4715 -38.4715
-37.3200 -37.3200 -37.2834 -37.2834 -37.2520 -37.2520 -37.2461 -37.2461
-31.0638 -31.0638 -12.3551 -12.3551 -12.0093 -12.0093 -11.9302 -11.9302
0.3327 0.3327 1.6173 1.6173 6.3874 6.3874 6.5755 6.5755
7.0517 7.0517 7.5149 7.5149 7.9722 7.9722 8.4527 8.4527
8.4892 8.4892 8.7227 8.7227 9.1522 9.1522 9.7383 9.7383
9.7827 9.7827 10.8487 10.8487 10.8937 10.8937 11.4343 11.4343
11.7313 11.7313
k = 0.5000 0.2707 0.4872 ( 7636 PWs) bands (ev):
-68.7169 -68.7169 -68.7103 -68.7103 -38.4931 -38.4931 -38.4708 -38.4708
-37.3208 -37.3208 -37.2821 -37.2821 -37.2524 -37.2524 -37.2463 -37.2463
-31.0640 -31.0640 -12.3542 -12.3542 -12.0080 -12.0080 -11.9303 -11.9303
0.3152 0.3152 1.5699 1.5699 6.3764 6.3764 6.6416 6.6416
7.0874 7.0874 7.5405 7.5405 7.9478 7.9478 8.4354 8.4354
8.4684 8.4684 8.7592 8.7592 9.1820 9.1820 9.7520 9.7520
9.7952 9.7952 10.8644 10.8644 10.9298 10.9298 11.5130 11.5130
11.7769 11.7769
k = 0.5000 0.2707 0.4677 ( 7616 PWs) bands (ev):
-68.7156 -68.7156 -68.7091 -68.7091 -38.4936 -38.4936 -38.4702 -38.4702
-37.3215 -37.3215 -37.2807 -37.2807 -37.2528 -37.2528 -37.2463 -37.2463
-31.0641 -31.0641 -12.3533 -12.3533 -12.0067 -12.0067 -11.9303 -11.9303
0.2974 0.2974 1.5238 1.5238 6.3667 6.3667 6.7096 6.7096
7.1229 7.1229 7.5685 7.5685 7.9291 7.9291 8.4193 8.4193
8.4514 8.4514 8.8006 8.8006 9.2147 9.2147 9.7642 9.7642
9.8159 9.8159 10.8698 10.8698 10.9767 10.9767 11.5990 11.5990
11.8217 11.8217
k = 0.5000 0.2707 0.4482 ( 7610 PWs) bands (ev):
-68.7145 -68.7145 -68.7094 -68.7094 -38.4941 -38.4941 -38.4696 -38.4696
-37.3222 -37.3222 -37.2794 -37.2794 -37.2531 -37.2531 -37.2464 -37.2464
-31.0642 -31.0642 -12.3525 -12.3525 -12.0053 -12.0053 -11.9303 -11.9303
0.2791 0.2791 1.4790 1.4790 6.3581 6.3581 6.7791 6.7791
7.1558 7.1558 7.5988 7.5988 7.9088 7.9088 8.4023 8.4023
8.4321 8.4321 8.8416 8.8416 9.2350 9.2350 9.7754 9.7754
9.8409 9.8409 10.8676 10.8676 11.0187 11.0187 11.6838 11.6838
11.8629 11.8629
k = 0.5000 0.2707 0.4287 ( 7604 PWs) bands (ev):
-68.7144 -68.7144 -68.7086 -68.7086 -38.4946 -38.4946 -38.4690 -38.4690
-37.3230 -37.3230 -37.2781 -37.2781 -37.2535 -37.2535 -37.2465 -37.2465
-31.0644 -31.0644 -12.3516 -12.3516 -12.0040 -12.0040 -11.9304 -11.9304
0.2605 0.2605 1.4355 1.4355 6.3509 6.3509 6.8499 6.8499
7.1893 7.1893 7.6315 7.6315 7.8888 7.8888 8.3867 8.3867
8.4115 8.4115 8.8837 8.8837 9.2588 9.2588 9.7787 9.7787
9.8627 9.8627 10.8653 10.8653 11.0534 11.0534 11.7694 11.7694
11.9037 11.9037
k = 0.5000 0.2707 0.4092 ( 7604 PWs) bands (ev):
-68.7151 -68.7151 -68.7079 -68.7079 -38.4951 -38.4951 -38.4684 -38.4684
-37.3237 -37.3237 -37.2768 -37.2768 -37.2538 -37.2538 -37.2466 -37.2466
-31.0645 -31.0645 -12.3508 -12.3508 -12.0027 -12.0027 -11.9304 -11.9304
0.2417 0.2417 1.3936 1.3936 6.3443 6.3443 6.9221 6.9221
7.2226 7.2226 7.6658 7.6658 7.8692 7.8692 8.3722 8.3722
8.3909 8.3909 8.9217 8.9217 9.2782 9.2782 9.7854 9.7854
9.8795 9.8795 10.8616 10.8616 11.0760 11.0760 11.8556 11.8556
11.9436 11.9436
k = 0.5000 0.2707 0.3897 ( 7604 PWs) bands (ev):
-68.7153 -68.7153 -68.7077 -68.7077 -38.4956 -38.4956 -38.4679 -38.4679
-37.3245 -37.3245 -37.2756 -37.2756 -37.2541 -37.2541 -37.2467 -37.2467
-31.0646 -31.0646 -12.3499 -12.3499 -12.0014 -12.0014 -11.9304 -11.9304
0.2229 0.2229 1.3532 1.3532 6.3377 6.3377 6.9954 6.9954
7.2537 7.2537 7.7011 7.7011 7.8502 7.8502 8.3531 8.3531
8.3705 8.3705 8.9640 8.9640 9.2927 9.2927 9.7980 9.7980
9.9033 9.9033 10.8584 10.8584 11.0874 11.0874 11.9428 11.9428
11.9808 11.9808
k = 0.5000 0.2707 0.3703 ( 7602 PWs) bands (ev):
-68.7150 -68.7150 -68.7078 -68.7078 -38.4961 -38.4961 -38.4673 -38.4673
-37.3252 -37.3252 -37.2745 -37.2745 -37.2544 -37.2544 -37.2467 -37.2467
-31.0647 -31.0647 -12.3491 -12.3491 -12.0002 -12.0002 -11.9304 -11.9304
0.2041 0.2041 1.3144 1.3144 6.3314 6.3314 7.0698 7.0698
7.2841 7.2841 7.7376 7.7376 7.8323 7.8323 8.3349 8.3349
8.3512 8.3512 9.0086 9.0086 9.3012 9.3012 9.8136 9.8136
9.9306 9.9306 10.8538 10.8538 11.0880 11.0880 12.0158 12.0158
12.0315 12.0315
k = 0.5000 0.2707 0.3508 ( 7610 PWs) bands (ev):
-68.7151 -68.7151 -68.7086 -68.7086 -38.4966 -38.4966 -38.4668 -38.4668
-37.3260 -37.3260 -37.2733 -37.2733 -37.2547 -37.2547 -37.2468 -37.2468
-31.0649 -31.0649 -12.3483 -12.3483 -11.9989 -11.9989 -11.9304 -11.9304
0.1854 0.1854 1.2774 1.2774 6.3253 6.3253 7.1449 7.1449
7.3120 7.3120 7.7743 7.7743 7.8146 7.8146 8.3162 8.3162
8.3317 8.3317 9.0544 9.0544 9.3032 9.3032 9.8312 9.8312
9.9525 9.9525 10.8474 10.8474 11.0780 11.0780 12.0482 12.0482
12.1184 12.1184
k = 0.5000 0.2707 0.3313 ( 7598 PWs) bands (ev):
-68.7138 -68.7138 -68.7085 -68.7085 -38.4971 -38.4971 -38.4663 -38.4663
-37.3267 -37.3267 -37.2722 -37.2722 -37.2549 -37.2549 -37.2468 -37.2468
-31.0650 -31.0650 -12.3475 -12.3475 -11.9977 -11.9977 -11.9304 -11.9304
0.1670 0.1670 1.2421 1.2421 6.3203 6.3203 7.2211 7.2211
7.3410 7.3410 7.7916 7.7916 7.8201 7.8201 8.3041 8.3041
8.3148 8.3148 9.1051 9.1051 9.3047 9.3047 9.8547 9.8547
9.9767 9.9767 10.8428 10.8428 11.0611 11.0611 12.0808 12.0808
12.2073 12.2074
k = 0.5000 0.2707 0.3118 ( 7606 PWs) bands (ev):
-68.7140 -68.7140 -68.7093 -68.7093 -38.4976 -38.4976 -38.4658 -38.4658
-37.3275 -37.3275 -37.2712 -37.2712 -37.2552 -37.2552 -37.2467 -37.2467
-31.0651 -31.0651 -12.3468 -12.3468 -11.9966 -11.9966 -11.9304 -11.9304
0.1489 0.1489 1.2086 1.2086 6.3133 6.3133 7.2973 7.2973
7.3683 7.3683 7.7771 7.7771 7.8571 7.8571 8.2853 8.2853
8.2978 8.2978 9.1554 9.1554 9.2995 9.2995 9.8750 9.8750
9.9965 9.9965 10.8365 10.8365 11.0330 11.0330 12.1112 12.1112
12.2956 12.2956
k = 0.5000 0.2707 0.2923 ( 7614 PWs) bands (ev):
-68.7151 -68.7151 -68.7091 -68.7091 -38.4980 -38.4980 -38.4653 -38.4653
-37.3281 -37.3281 -37.2703 -37.2703 -37.2554 -37.2554 -37.2468 -37.2468
-31.0652 -31.0652 -12.3461 -12.3461 -11.9954 -11.9954 -11.9304 -11.9304
0.1314 0.1314 1.1768 1.1768 6.3088 6.3088 7.3725 7.3725
7.3970 7.3970 7.7621 7.7621 7.8977 7.8977 8.2673 8.2673
8.2764 8.2764 9.2062 9.2062 9.2915 9.2915 9.8976 9.8976
10.0080 10.0080 10.8302 10.8302 10.9997 10.9997 12.1398 12.1398
12.3840 12.3840
k = 0.5000 0.2707 0.2728 ( 7612 PWs) bands (ev):
-68.7156 -68.7156 -68.7084 -68.7084 -38.4984 -38.4984 -38.4649 -38.4649
-37.3288 -37.3288 -37.2694 -37.2694 -37.2556 -37.2556 -37.2467 -37.2467
-31.0653 -31.0653 -12.3454 -12.3454 -11.9943 -11.9943 -11.9304 -11.9304
0.1144 0.1144 1.1469 1.1469 6.3061 6.3061 7.4185 7.4185
7.4550 7.4550 7.7479 7.7479 7.9391 7.9391 8.2516 8.2516
8.2595 8.2595 9.2573 9.2573 9.2809 9.2809 9.9217 9.9217
10.0241 10.0241 10.8250 10.8250 10.9611 10.9611 12.1685 12.1685
12.4248 12.4248
k = 0.5000 0.2707 0.2533 ( 7614 PWs) bands (ev):
-68.7154 -68.7154 -68.7087 -68.7087 -38.4988 -38.4988 -38.4645 -38.4645
-37.3294 -37.3294 -37.2686 -37.2686 -37.2557 -37.2557 -37.2467 -37.2467
-31.0654 -31.0654 -12.3447 -12.3447 -11.9933 -11.9933 -11.9304 -11.9304
0.0981 0.0981 1.1190 1.1190 6.3012 6.3012 7.4441 7.4441
7.5314 7.5314 7.7334 7.7334 7.9798 7.9798 8.2339 8.2339
8.2446 8.2446 9.2634 9.2634 9.3148 9.3148 9.9469 9.9469
10.0433 10.0433 10.8168 10.8168 10.9182 10.9182 12.1958 12.1958
12.3557 12.3557
k = 0.5000 0.2707 0.2338 ( 7622 PWs) bands (ev):
-68.7166 -68.7166 -68.7085 -68.7085 -38.4992 -38.4992 -38.4641 -38.4641
-37.3300 -37.3300 -37.2679 -37.2679 -37.2559 -37.2559 -37.2466 -37.2466
-31.0655 -31.0655 -12.3441 -12.3441 -11.9923 -11.9923 -11.9304 -11.9304
0.0826 0.0826 1.0929 1.0929 6.2977 6.2977 7.4685 7.4685
7.6083 7.6083 7.7209 7.7209 8.0195 8.0195 8.2150 8.2150
8.2294 8.2294 9.2443 9.2443 9.3678 9.3678 9.9713 9.9713
10.0550 10.0550 10.8064 10.8064 10.8711 10.8711 12.2217 12.2217
12.2892 12.2892
k = 0.5000 0.2707 0.2144 ( 7630 PWs) bands (ev):
-68.7167 -68.7167 -68.7094 -68.7094 -38.4996 -38.4996 -38.4637 -38.4637
-37.3306 -37.3306 -37.2672 -37.2672 -37.2560 -37.2560 -37.2466 -37.2466
-31.0656 -31.0656 -12.3435 -12.3435 -11.9914 -11.9914 -11.9304 -11.9304
0.0680 0.0680 1.0688 1.0688 6.2935 6.2935 7.4890 7.4890
7.6837 7.6837 7.7077 7.7077 8.0580 8.0580 8.1989 8.1989
8.2157 8.2157 9.2211 9.2211 9.4238 9.4238 9.9957 9.9957
10.0742 10.0742 10.7879 10.7879 10.8281 10.8281 12.2254 12.2254
12.2470 12.2470
k = 0.5000 0.2707 0.1949 ( 7640 PWs) bands (ev):
-68.7166 -68.7166 -68.7107 -68.7107 -38.4999 -38.4999 -38.4634 -38.4634
-37.3312 -37.3312 -37.2665 -37.2665 -37.2562 -37.2562 -37.2465 -37.2465
-31.0657 -31.0657 -12.3430 -12.3430 -11.9906 -11.9906 -11.9304 -11.9304
0.0543 0.0543 1.0468 1.0468 6.2889 6.2889 7.5084 7.5084
7.6907 7.6907 7.7611 7.7611 8.0951 8.0951 8.1830 8.1830
8.2054 8.2054 9.1949 9.1949 9.4832 9.4832 10.0190 10.0190
10.0906 10.0906 10.7480 10.7480 10.8004 10.8004 12.1671 12.1671
12.2706 12.2706
k = 0.5000 0.2707 0.1754 ( 7646 PWs) bands (ev):
-68.7169 -68.7169 -68.7111 -68.7111 -38.5002 -38.5002 -38.4631 -38.4631
-37.3317 -37.3317 -37.2660 -37.2660 -37.2563 -37.2563 -37.2464 -37.2464
-31.0657 -31.0657 -12.3425 -12.3425 -11.9898 -11.9898 -11.9304 -11.9304
0.0417 0.0417 1.0267 1.0267 6.2875 6.2875 7.5281 7.5281
7.6802 7.6802 7.8351 7.8351 8.1301 8.1301 8.1663 8.1663
8.1946 8.1946 9.1640 9.1640 9.5431 9.5431 10.0403 10.0403
10.1060 10.1060 10.6961 10.6961 10.7831 10.7831 12.1116 12.1116
12.2940 12.2940
k = 0.5000 0.2707 0.1559 ( 7648 PWs) bands (ev):
-68.7178 -68.7178 -68.7104 -68.7104 -38.5005 -38.5005 -38.4628 -38.4628
-37.3321 -37.3321 -37.2655 -37.2655 -37.2564 -37.2564 -37.2463 -37.2463
-31.0658 -31.0658 -12.3420 -12.3420 -11.9891 -11.9891 -11.9304 -11.9304
0.0302 0.0302 1.0087 1.0087 6.2857 6.2857 7.5482 7.5482
7.6699 7.6699 7.9074 7.9074 8.1483 8.1483 8.1630 8.1630
8.1862 8.1862 9.1343 9.1343 9.6054 9.6054 10.0605 10.0605
10.1133 10.1133 10.6406 10.6406 10.7771 10.7771 12.0638 12.0638
12.3161 12.3161
k = 0.5000 0.2707 0.1364 ( 7660 PWs) bands (ev):
-68.7184 -68.7184 -68.7113 -68.7113 -38.5007 -38.5007 -38.4626 -38.4626
-37.3325 -37.3325 -37.2651 -37.2651 -37.2565 -37.2565 -37.2462 -37.2462
-31.0659 -31.0659 -12.3416 -12.3416 -11.9885 -11.9885 -11.9304 -11.9304
0.0199 0.0199 0.9928 0.9928 6.2816 6.2816 7.5658 7.5658
7.6600 7.6600 7.9763 7.9763 8.1341 8.1341 8.1698 8.1698
8.2003 8.2003 9.0985 9.0985 9.6687 9.6687 10.0770 10.0770
10.1221 10.1221 10.5816 10.5816 10.7666 10.7666 12.0181 12.0181
12.3367 12.3367
k = 0.5000 0.2707 0.1169 ( 7658 PWs) bands (ev):
-68.7187 -68.7187 -68.7108 -68.7108 -38.5009 -38.5009 -38.4624 -38.4624
-37.3329 -37.3329 -37.2647 -37.2647 -37.2566 -37.2566 -37.2461 -37.2461
-31.0659 -31.0659 -12.3413 -12.3413 -11.9879 -11.9879 -11.9304 -11.9304
0.0109 0.0109 0.9790 0.9790 6.2820 6.2820 7.5812 7.5812
7.6508 7.6508 8.0418 8.0418 8.1232 8.1232 8.1615 8.1615
8.2274 8.2274 9.0656 9.0656 9.7331 9.7331 10.0915 10.0915
10.1332 10.1332 10.5220 10.5220 10.7631 10.7631 11.9809 11.9809
12.3564 12.3564
k = 0.5000 0.2707 0.0974 ( 7662 PWs) bands (ev):
-68.7193 -68.7193 -68.7107 -68.7107 -38.5011 -38.5011 -38.4622 -38.4622
-37.3331 -37.3331 -37.2645 -37.2645 -37.2567 -37.2567 -37.2461 -37.2461
-31.0659 -31.0659 -12.3410 -12.3410 -11.9874 -11.9874 -11.9304 -11.9304
0.0031 0.0031 0.9673 0.9673 6.2795 6.2795 7.5947 7.5947
7.6452 7.6452 8.0980 8.0980 8.1146 8.1146 8.1525 8.1525
8.2533 8.2533 9.0308 9.0308 9.7984 9.7984 10.1026 10.1026
10.1436 10.1436 10.4607 10.4607 10.7580 10.7580 11.9491 11.9491
12.3738 12.3738
k = 0.5000 0.2707 0.0779 ( 7666 PWs) bands (ev):
-68.7199 -68.7199 -68.7106 -68.7106 -38.5012 -38.5012 -38.4621 -38.4621
-37.3334 -37.3334 -37.2642 -37.2642 -37.2567 -37.2567 -37.2460 -37.2460
-31.0660 -31.0660 -12.3407 -12.3407 -11.9870 -11.9870 -11.9304 -11.9304
-0.0033 -0.0033 0.9576 0.9576 6.2782 6.2782 7.6061 7.6061
7.6412 7.6412 8.1019 8.1019 8.1422 8.1422 8.1567 8.1567
8.2773 8.2773 8.9969 8.9969 9.8640 9.8640 10.1094 10.1094
10.1504 10.1504 10.3987 10.3987 10.7508 10.7508 11.9229 11.9229
12.3893 12.3893
k = 0.5000 0.2707 0.0585 ( 7654 PWs) bands (ev):
-68.7194 -68.7194 -68.7096 -68.7096 -38.5013 -38.5013 -38.4620 -38.4620
-37.3335 -37.3335 -37.2640 -37.2640 -37.2567 -37.2567 -37.2459 -37.2459
-31.0660 -31.0660 -12.3405 -12.3405 -11.9867 -11.9867 -11.9304 -11.9304
-0.0082 -0.0082 0.9502 0.9502 6.2794 6.2794 7.6149 7.6149
7.6408 7.6408 8.0962 8.0962 8.1393 8.1393 8.1966 8.1966
8.2994 8.2994 8.9677 8.9677 9.9292 9.9292 10.1220 10.1220
10.1622 10.1622 10.3356 10.3356 10.7483 10.7483 11.9034 11.9034
12.4034 12.4034
k = 0.5000 0.2707 0.0390 ( 7642 PWs) bands (ev):
-68.7194 -68.7194 -68.7080 -68.7080 -38.5014 -38.5014 -38.4619 -38.4619
-37.3336 -37.3336 -37.2639 -37.2639 -37.2567 -37.2567 -37.2459 -37.2459
-31.0660 -31.0660 -12.3404 -12.3404 -11.9865 -11.9865 -11.9304 -11.9304
-0.0118 -0.0118 0.9448 0.9448 6.2812 6.2812 7.6208 7.6208
7.6425 7.6425 8.0904 8.0904 8.1363 8.1363 8.2257 8.2257
8.3195 8.3195 8.9462 8.9462 9.9951 9.9951 10.1278 10.1278
10.1662 10.1662 10.2744 10.2744 10.7502 10.7502 11.8920 11.8920
12.4127 12.4127
k = 0.5000 0.2707 0.0195 ( 7648 PWs) bands (ev):
-68.7202 -68.7202 -68.7080 -68.7080 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2638 -37.2638 -37.2567 -37.2567 -37.2459 -37.2459
-31.0660 -31.0660 -12.3403 -12.3403 -11.9864 -11.9864 -11.9304 -11.9304
-0.0140 -0.0140 0.9415 0.9415 6.2808 6.2808 7.6233 7.6233
7.6427 7.6427 8.0851 8.0851 8.1344 8.1344 8.2418 8.2418
8.3337 8.3337 8.9295 8.9295 10.0578 10.0578 10.1280 10.1280
10.1591 10.1591 10.2179 10.2179 10.7476 10.7476 11.8833 11.8833
12.4177 12.4177
k = 0.5000 0.2707 0.0000 ( 7646 PWs) bands (ev):
-68.7210 -68.7210 -68.7070 -68.7070 -38.5014 -38.5014 -38.4618 -38.4618
-37.3337 -37.3337 -37.2638 -37.2638 -37.2567 -37.2567 -37.2459 -37.2459
-31.0660 -31.0660 -12.3403 -12.3403 -11.9863 -11.9863 -11.9304 -11.9304
-0.0146 -0.0146 0.9404 0.9404 6.2832 6.2832 7.6240 7.6240
7.6430 7.6430 8.0837 8.0837 8.1300 8.1300 8.2464 8.2464
8.3385 8.3385 8.9263 8.9263 10.1057 10.1057 10.1286 10.1286
10.1318 10.1318 10.1938 10.1938 10.7525 10.7525 11.8822 11.8822
12.4194 12.4194
k = 0.0000 0.0000 1.0503 ( 7632 PWs) bands (ev):
-68.7145 -68.7145 -68.7132 -68.7132 -38.4831 -38.4831 -38.4828 -38.4828
-37.3101 -37.3101 -37.3079 -37.3079 -37.2430 -37.2430 -37.2405 -37.2405
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5272 0.5272 2.7589 2.7589 5.5852 5.5852 6.0925 6.0925
7.1800 7.1800 7.1920 7.1920 8.2167 8.2167 8.4163 8.4163
8.5627 8.5627 8.6374 8.6374 8.8286 8.8286 9.5210 9.5210
9.6918 9.6918 9.8596 9.8596 9.8642 9.8642 10.8716 10.8716
11.1536 11.1536
k = 0.0167 0.0090 1.0503 ( 7632 PWs) bands (ev):
-68.7142 -68.7142 -68.7135 -68.7135 -38.4831 -38.4831 -38.4828 -38.4828
-37.3101 -37.3101 -37.3079 -37.3079 -37.2430 -37.2430 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5272 0.5272 2.7590 2.7590 5.5861 5.5861 6.0899 6.0899
7.1795 7.1795 7.1963 7.1963 8.2150 8.2150 8.4089 8.4089
8.5689 8.5689 8.6389 8.6389 8.8277 8.8277 9.5212 9.5212
9.6908 9.6908 9.8596 9.8596 9.8643 9.8643 10.8731 10.8731
11.1531 11.1531
k = 0.0333 0.0180 1.0503 ( 7648 PWs) bands (ev):
-68.7157 -68.7157 -68.7140 -68.7140 -38.4831 -38.4831 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5272 0.5272 2.7588 2.7588 5.5887 5.5887 6.0827 6.0827
7.1796 7.1796 7.2079 7.2079 8.2143 8.2143 8.3888 8.3888
8.5786 8.5786 8.6375 8.6375 8.8246 8.8246 9.5131 9.5131
9.6877 9.6877 9.8524 9.8524 9.8613 9.8613 10.8759 10.8759
11.1487 11.1487
k = 0.0500 0.0271 1.0503 ( 7668 PWs) bands (ev):
-68.7167 -68.7167 -68.7155 -68.7155 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5272 0.5272 2.7586 2.7586 5.5933 5.5933 6.0708 6.0708
7.1803 7.1803 7.2268 7.2268 8.2116 8.2116 8.3598 8.3598
8.5927 8.5927 8.6355 8.6355 8.8186 8.8186 9.5137 9.5137
9.6812 9.6812 9.8458 9.8458 9.8521 9.8521 10.8789 10.8789
11.1408 11.1408
k = 0.0667 0.0361 1.0503 ( 7664 PWs) bands (ev):
-68.7162 -68.7162 -68.7155 -68.7155 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5271 0.5271 2.7584 2.7584 5.5997 5.5997 6.0546 6.0546
7.1817 7.1817 7.2523 7.2523 8.2084 8.2084 8.3256 8.3256
8.6117 8.6117 8.6368 8.6368 8.8202 8.8202 9.5188 9.5188
9.6719 9.6719 9.8460 9.8460 9.8561 9.8561 10.8876 10.8876
11.1391 11.1391
k = 0.0833 0.0451 1.0503 ( 7666 PWs) bands (ev):
-68.7162 -68.7162 -68.7158 -68.7158 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5271 0.5271 2.7582 2.7582 5.6078 5.6078 6.0355 6.0355
7.1835 7.1835 7.2834 7.2834 8.2043 8.2043 8.2877 8.2877
8.6251 8.6251 8.6411 8.6411 8.8190 8.8190 9.5209 9.5209
9.6635 9.6635 9.8458 9.8458 9.8553 9.8553 10.8982 10.8982
11.1367 11.1367
k = 0.1000 0.0541 1.0503 ( 7660 PWs) bands (ev):
-68.7158 -68.7158 -68.7154 -68.7154 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2430 -37.2430 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5272 0.5272 2.7579 2.7579 5.6176 5.6176 6.0139 6.0139
7.1860 7.1860 7.3196 7.3196 8.2016 8.2016 8.2478 8.2478
8.6298 8.6298 8.6562 8.6562 8.8165 8.8165 9.5224 9.5224
9.6545 9.6545 9.8511 9.8511 9.8561 9.8561 10.9165 10.9165
11.1318 11.1318
k = 0.1167 0.0632 1.0503 ( 7650 PWs) bands (ev):
-68.7150 -68.7150 -68.7149 -68.7149 -38.4831 -38.4831 -38.4828 -38.4828
-37.3101 -37.3101 -37.3079 -37.3079 -37.2430 -37.2430 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5272 0.5272 2.7578 2.7578 5.6297 5.6297 5.9906 5.9906
7.1890 7.1890 7.3606 7.3606 8.1922 8.1922 8.2130 8.2130
8.6332 8.6332 8.6724 8.6724 8.8147 8.8147 9.5258 9.5258
9.6480 9.6480 9.8510 9.8510 9.8578 9.8578 10.9315 10.9315
11.1290 11.1290
k = 0.1333 0.0722 1.0503 ( 7650 PWs) bands (ev):
-68.7150 -68.7150 -68.7149 -68.7149 -38.4831 -38.4831 -38.4828 -38.4828
-37.3101 -37.3101 -37.3079 -37.3079 -37.2430 -37.2430 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5273 0.5273 2.7576 2.7576 5.6431 5.6431 5.9654 5.9654
7.1919 7.1919 7.4053 7.4053 8.1524 8.1524 8.2040 8.2040
8.6334 8.6334 8.6871 8.6871 8.8113 8.8113 9.5295 9.5295
9.6375 9.6375 9.8507 9.8507 9.8583 9.8583 10.9459 10.9459
11.1223 11.1223
k = 0.1500 0.0812 1.0503 ( 7668 PWs) bands (ev):
-68.7166 -68.7166 -68.7155 -68.7155 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5273 0.5273 2.7570 2.7570 5.6581 5.6581 5.9392 5.9392
7.1944 7.1944 7.4531 7.4531 8.1031 8.1031 8.1998 8.1998
8.6284 8.6284 8.6942 8.6942 8.8045 8.8045 9.5328 9.5328
9.6265 9.6265 9.8462 9.8462 9.8573 9.8573 10.9552 10.9552
11.1129 11.1129
k = 0.1667 0.0902 1.0503 ( 7666 PWs) bands (ev):
-68.7166 -68.7166 -68.7152 -68.7152 -38.4831 -38.4831 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5273 0.5273 2.7569 2.7569 5.6747 5.6747 5.9125 5.9125
7.1972 7.1972 7.5036 7.5036 8.0523 8.0523 8.1991 8.1991
8.6290 8.6290 8.7068 8.7068 8.7988 8.7988 9.5376 9.5376
9.6166 9.6166 9.8459 9.8459 9.8598 9.8598 10.9705 10.9705
11.1030 11.1030
k = 0.1833 0.0992 1.0503 ( 7674 PWs) bands (ev):
-68.7171 -68.7171 -68.7157 -68.7157 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5273 0.5273 2.7565 2.7565 5.6927 5.6927 5.8855 5.8855
7.1991 7.1991 7.5561 7.5561 7.9995 7.9995 8.1951 8.1951
8.6260 8.6260 8.7177 8.7177 8.7929 8.7929 9.5424 9.5424
9.6076 9.6076 9.8447 9.8447 9.8580 9.8580 10.9858 10.9858
11.0922 11.0922
k = 0.2000 0.1083 1.0503 ( 7676 PWs) bands (ev):
-68.7171 -68.7171 -68.7160 -68.7160 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5273 0.5273 2.7563 2.7563 5.7124 5.7124 5.8586 5.8586
7.2009 7.2009 7.6102 7.6102 7.9455 7.9455 8.1932 8.1932
8.6254 8.6254 8.7293 8.7293 8.7888 8.7888 9.5464 9.5464
9.5965 9.5965 9.8444 9.8444 9.8567 9.8567 11.0011 11.0011
11.0819 11.0819
k = 0.2167 0.1173 1.0503 ( 7680 PWs) bands (ev):
-68.7171 -68.7171 -68.7165 -68.7165 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2407 -37.2407
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5273 0.5273 2.7562 2.7562 5.7332 5.7332 5.8326 5.8326
7.2023 7.2023 7.6656 7.6656 7.8902 7.8902 8.1921 8.1921
8.6252 8.6252 8.7382 8.7382 8.7827 8.7827 9.5530 9.5530
9.5865 9.5865 9.8436 9.8436 9.8529 9.8529 11.0160 11.0160
11.0683 11.0683
k = 0.2333 0.1263 1.0503 ( 7664 PWs) bands (ev):
-68.7160 -68.7160 -68.7156 -68.7156 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3079 -37.3079 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5274 0.5274 2.7562 2.7562 5.7555 5.7555 5.8081 5.8081
7.2034 7.2034 7.7221 7.7221 7.8344 7.8344 8.1926 8.1926
8.6267 8.6267 8.7507 8.7507 8.7834 8.7834 9.5609 9.5609
9.5765 9.5765 9.8460 9.8460 9.8526 9.8526 11.0421 11.0421
11.0586 11.0586
k = 0.2500 0.1353 1.0503 ( 7668 PWs) bands (ev):
-68.7161 -68.7161 -68.7161 -68.7161 -38.4832 -38.4832 -38.4829 -38.4829
-37.3101 -37.3101 -37.3080 -37.3080 -37.2431 -37.2431 -37.2406 -37.2406
-31.0614 -31.0614 -12.3698 -12.3698 -12.0312 -12.0312 -11.9289 -11.9289
0.5274 0.5274 2.7562 2.7562 5.7707 5.7707 5.7911 5.7911
7.2037 7.2037 7.7760 7.7760 7.7803 7.7803 8.1924 8.1924
8.6264 8.6264 8.7542 8.7542 8.7806 8.7806 9.5665 9.5665
9.5690 9.5690 9.8457 9.8457 9.8528 9.8528 11.0458 11.0458
11.0496 11.0496
Writing output data file CaxMnGex2.save
init_run : 0.30s CPU 0.69s WALL ( 1 calls)
electrons : 377.53s CPU 382.20s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.14s WALL ( 1 calls)
potinit : 0.03s CPU 0.06s WALL ( 1 calls)
Called by electrons:
c_bands : 377.53s CPU 382.19s WALL ( 1 calls)
v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.00s CPU 0.01s WALL ( 1 calls)
newd : 0.04s CPU 0.06s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.10s CPU 0.13s WALL ( 344 calls)
cegterg : 346.06s CPU 348.81s WALL ( 533 calls)
Called by sum_band:
Called by *egterg:
h_psi : 266.92s CPU 269.13s WALL ( 8746 calls)
s_psi : 5.50s CPU 5.49s WALL ( 8746 calls)
g_psi : 0.62s CPU 0.57s WALL ( 7869 calls)
cdiaghg : 62.82s CPU 63.69s WALL ( 8213 calls)
cegterg:over : 12.68s CPU 12.87s WALL ( 7869 calls)
cegterg:upda : 12.25s CPU 12.29s WALL ( 7869 calls)
cegterg:last : 7.48s CPU 7.41s WALL ( 1519 calls)
cdiaghg:chol : 3.74s CPU 3.71s WALL ( 8213 calls)
cdiaghg:inve : 2.48s CPU 2.46s WALL ( 8213 calls)
cdiaghg:para : 3.82s CPU 4.01s WALL ( 16426 calls)
Called by h_psi:
h_psi:vloc : 249.42s CPU 251.37s WALL ( 8746 calls)
h_psi:vnl : 16.96s CPU 17.18s WALL ( 8746 calls)
add_vuspsi : 8.45s CPU 8.58s WALL ( 8746 calls)
General routines
calbec : 8.49s CPU 8.57s WALL ( 8746 calls)
fft : 0.01s CPU 0.01s WALL ( 15 calls)
fftw : 235.90s CPU 237.84s WALL ( 1027208 calls)
davcio : 0.26s CPU 0.43s WALL ( 688 calls)
Parallel routines
fft_scatter : 71.73s CPU 71.52s WALL ( 1027223 calls)
PWSCF : 6m43.81s CPU 7m17.26s WALL
This run was terminated on: 16:54:42 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=