Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:39:28
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:
./NaInSe2.save/
file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 71 59 17 1755 1316 203
Max 72 60 18 1759 1331 204
Sum 2577 2135 619 63243 47601 7321
bravais-lattice index = 14
lattice parameter (alat) = 13.8540 a.u.
unit-cell volume = 642.0411 (a.u.)^3
number of atoms/cell = 4
number of atomic types = 3
number of electrons = 34.00
number of Kohn-Sham states= 42
kinetic-energy cutoff = 67.0000 Ry
charge density cutoff = 324.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 13.854017 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= 0.853231 celldm(5)= 0.853231 celldm(6)= 0.853231
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.853231 0.521533 0.000000 )
a(3) = ( 0.853231 0.240115 0.462971 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -1.636004 -0.994451 )
b(2) = ( 0.000000 1.917423 -0.994451 )
b(3) = ( 0.000000 0.000000 2.159964 )
PseudoPot. # 1 for In read from file:
/users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf
Pseudo is Ultrasoft + core correction, Zval = 13.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1241 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
PseudoPot. # 2 for Se read from file:
/users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 38611c150961c07dbd63be353364166d
Pseudo is Ultrasoft + core correction, Zval = 6.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1211 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
PseudoPot. # 3 for Na read from file:
/users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF
MD5 check sum: 13bcaa2858b974004ed12db349b14e76
Pseudo is Ultrasoft + core correction, Zval = 9.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1121 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
In 13.00 114.81800 In( 1.00)
Se 6.00 78.96000 Se( 1.00)
Na 9.00 22.98980 Na( 1.00)
2 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 inversion
cryst. s( 2) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
double point group C_i (-1)
there are 4 classes and 2 irreducible representations
the character table:
E -E i -i
G_2+ 1.00 -1.00 1.00 -1.00
G_2- 1.00 -1.00 -1.00 1.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
i 2
inversion
-i -2
inversion E
Cartesian axes
number of k points= 307 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573
k( 2) = ( 0.0106383 -0.0174043 -0.0105793), wk = 0.0032573
k( 3) = ( 0.0212766 -0.0348086 -0.0211585), wk = 0.0032573
k( 4) = ( 0.0319149 -0.0522129 -0.0317378), wk = 0.0032573
k( 5) = ( 0.0425532 -0.0696172 -0.0423171), wk = 0.0032573
k( 6) = ( 0.0531915 -0.0870215 -0.0528963), wk = 0.0032573
k( 7) = ( 0.0638298 -0.1044258 -0.0634756), wk = 0.0032573
k( 8) = ( 0.0744681 -0.1218301 -0.0740549), wk = 0.0032573
k( 9) = ( 0.0851064 -0.1392344 -0.0846341), wk = 0.0032573
k( 10) = ( 0.0957447 -0.1566387 -0.0952134), wk = 0.0032573
k( 11) = ( 0.1063830 -0.1740430 -0.1057927), wk = 0.0032573
k( 12) = ( 0.1170213 -0.1914473 -0.1163720), wk = 0.0032573
k( 13) = ( 0.1276596 -0.2088516 -0.1269512), wk = 0.0032573
k( 14) = ( 0.1382979 -0.2262559 -0.1375305), wk = 0.0032573
k( 15) = ( 0.1489362 -0.2436602 -0.1481098), wk = 0.0032573
k( 16) = ( 0.1595745 -0.2610645 -0.1586890), wk = 0.0032573
k( 17) = ( 0.1702128 -0.2784688 -0.1692683), wk = 0.0032573
k( 18) = ( 0.1808511 -0.2958731 -0.1798476), wk = 0.0032573
k( 19) = ( 0.1914894 -0.3132774 -0.1904268), wk = 0.0032573
k( 20) = ( 0.2021277 -0.3306817 -0.2010061), wk = 0.0032573
k( 21) = ( 0.2127660 -0.3480860 -0.2115854), wk = 0.0032573
k( 22) = ( 0.2234043 -0.3654903 -0.2221646), wk = 0.0032573
k( 23) = ( 0.2340425 -0.3828946 -0.2327439), wk = 0.0032573
k( 24) = ( 0.2446809 -0.4002989 -0.2433232), wk = 0.0032573
k( 25) = ( 0.2553191 -0.4177032 -0.2539024), wk = 0.0032573
k( 26) = ( 0.2659574 -0.4351075 -0.2644817), wk = 0.0032573
k( 27) = ( 0.2765957 -0.4525118 -0.2750610), wk = 0.0032573
k( 28) = ( 0.2872340 -0.4699161 -0.2856402), wk = 0.0032573
k( 29) = ( 0.2978723 -0.4873204 -0.2962195), wk = 0.0032573
k( 30) = ( 0.3085106 -0.5047247 -0.3067988), wk = 0.0032573
k( 31) = ( 0.3191489 -0.5221290 -0.3173780), wk = 0.0032573
k( 32) = ( 0.3297872 -0.5395333 -0.3279573), wk = 0.0032573
k( 33) = ( 0.3404255 -0.5569376 -0.3385366), wk = 0.0032573
k( 34) = ( 0.3510638 -0.5743419 -0.3491158), wk = 0.0032573
k( 35) = ( 0.3617021 -0.5917462 -0.3596951), wk = 0.0032573
k( 36) = ( 0.3723404 -0.6091505 -0.3702744), wk = 0.0032573
k( 37) = ( 0.3829787 -0.6265548 -0.3808536), wk = 0.0032573
k( 38) = ( 0.3936170 -0.6439591 -0.3914329), wk = 0.0032573
k( 39) = ( 0.4042553 -0.6613634 -0.4020122), wk = 0.0032573
k( 40) = ( 0.4148936 -0.6787677 -0.4125915), wk = 0.0032573
k( 41) = ( 0.4255319 -0.6961720 -0.4231707), wk = 0.0032573
k( 42) = ( 0.4361702 -0.7135763 -0.4337500), wk = 0.0032573
k( 43) = ( 0.4468085 -0.7309806 -0.4443293), wk = 0.0032573
k( 44) = ( 0.4574468 -0.7483849 -0.4549085), wk = 0.0032573
k( 45) = ( 0.4680851 -0.7657892 -0.4654878), wk = 0.0032573
k( 46) = ( 0.4787234 -0.7831935 -0.4760671), wk = 0.0032573
k( 47) = ( 0.4893617 -0.8005978 -0.4866463), wk = 0.0032573
k( 48) = ( 0.5000000 -0.8180021 -0.4972256), wk = 0.0032573
k( 49) = ( 0.5000000 -0.8180021 -0.4972256), wk = 0.0032573
k( 50) = ( 0.5000000 -0.8061944 -0.5166508), wk = 0.0032573
k( 51) = ( 0.5000000 -0.7943867 -0.5360760), wk = 0.0032573
k( 52) = ( 0.5000000 -0.7825790 -0.5555012), wk = 0.0032573
k( 53) = ( 0.5000000 -0.7707714 -0.5749264), wk = 0.0032573
k( 54) = ( 0.5000000 -0.7589637 -0.5943516), wk = 0.0032573
k( 55) = ( 0.5000000 -0.7471560 -0.6137768), wk = 0.0032573
k( 56) = ( 0.5000000 -0.7353483 -0.6332020), wk = 0.0032573
k( 57) = ( 0.5000000 -0.7235406 -0.6526272), wk = 0.0032573
k( 58) = ( 0.5000000 -0.7117329 -0.6720525), wk = 0.0032573
k( 59) = ( 0.5000000 -0.6999253 -0.6914777), wk = 0.0032573
k( 60) = ( 0.5000000 -0.6881176 -0.7109029), wk = 0.0032573
k( 61) = ( 0.5000000 -0.6763099 -0.7303281), wk = 0.0032573
k( 62) = ( 0.5000000 -0.6645022 -0.7497533), wk = 0.0032573
k( 63) = ( 0.5000000 -0.6526945 -0.7691785), wk = 0.0032573
k( 64) = ( 0.5000000 -0.6408868 -0.7886037), wk = 0.0032573
k( 65) = ( 0.5000000 -0.6290792 -0.8080289), wk = 0.0032573
k( 66) = ( 0.5000000 -0.6172715 -0.8274541), wk = 0.0032573
k( 67) = ( 0.5000000 -0.6054638 -0.8468793), wk = 0.0032573
k( 68) = ( 0.5000000 -0.5936561 -0.8663045), wk = 0.0032573
k( 69) = ( 0.5000000 -0.5818484 -0.8857298), wk = 0.0032573
k( 70) = ( 0.5000000 -0.5700407 -0.9051550), wk = 0.0032573
k( 71) = ( 0.5000000 -0.5582331 -0.9245802), wk = 0.0032573
k( 72) = ( 0.5000000 -0.5464254 -0.9440054), wk = 0.0032573
k( 73) = ( 0.5000000 -0.5346177 -0.9634306), wk = 0.0032573
k( 74) = ( 0.5000000 -0.5228100 -0.9828558), wk = 0.0032573
k( 75) = ( 0.5000000 -0.5110023 -1.0022810), wk = 0.0032573
k( 76) = ( 0.5000000 -0.4991946 -1.0217062), wk = 0.0032573
k( 77) = ( 0.5000000 -0.4873870 -1.0411314), wk = 0.0032573
k( 78) = ( 0.5000000 -0.4755793 -1.0605566), wk = 0.0032573
k( 79) = ( 0.5000000 -0.4637716 -1.0799818), wk = 0.0032573
k( 80) = ( 0.8152569 -0.3750525 -0.9089206), wk = 0.0032573
k( 81) = ( 0.8089518 -0.3647372 -0.8890315), wk = 0.0032573
k( 82) = ( 0.8026467 -0.3544220 -0.8691425), wk = 0.0032573
k( 83) = ( 0.7963415 -0.3441068 -0.8492535), wk = 0.0032573
k( 84) = ( 0.7900364 -0.3337915 -0.8293645), wk = 0.0032573
k( 85) = ( 0.7837312 -0.3234763 -0.8094754), wk = 0.0032573
k( 86) = ( 0.7774261 -0.3131610 -0.7895864), wk = 0.0032573
k( 87) = ( 0.7711210 -0.3028458 -0.7696974), wk = 0.0032573
k( 88) = ( 0.7648158 -0.2925306 -0.7498084), wk = 0.0032573
k( 89) = ( 0.7585107 -0.2822154 -0.7299194), wk = 0.0032573
k( 90) = ( 0.7522056 -0.2719001 -0.7100303), wk = 0.0032573
k( 91) = ( 0.7459004 -0.2615849 -0.6901413), wk = 0.0032573
k( 92) = ( 0.7395953 -0.2512696 -0.6702523), wk = 0.0032573
k( 93) = ( 0.7332901 -0.2409544 -0.6503633), wk = 0.0032573
k( 94) = ( 0.7269850 -0.2306392 -0.6304742), wk = 0.0032573
k( 95) = ( 0.7206799 -0.2203239 -0.6105852), wk = 0.0032573
k( 96) = ( 0.7143747 -0.2100087 -0.5906962), wk = 0.0032573
k( 97) = ( 0.7080696 -0.1996935 -0.5708072), wk = 0.0032573
k( 98) = ( 0.7017644 -0.1893783 -0.5509181), wk = 0.0032573
k( 99) = ( 0.6954593 -0.1790630 -0.5310291), wk = 0.0032573
k( 100) = ( 0.6891542 -0.1687478 -0.5111401), wk = 0.0032573
k( 101) = ( 0.6828490 -0.1584325 -0.4912511), wk = 0.0032573
k( 102) = ( 0.6765439 -0.1481173 -0.4713620), wk = 0.0032573
k( 103) = ( 0.6702387 -0.1378021 -0.4514730), wk = 0.0032573
k( 104) = ( 0.6639336 -0.1274868 -0.4315840), wk = 0.0032573
k( 105) = ( 0.6576285 -0.1171716 -0.4116950), wk = 0.0032573
k( 106) = ( 0.6513233 -0.1068564 -0.3918059), wk = 0.0032573
k( 107) = ( 0.6450182 -0.0965411 -0.3719169), wk = 0.0032573
k( 108) = ( 0.6387131 -0.0862259 -0.3520279), wk = 0.0032573
k( 109) = ( 0.6324079 -0.0759107 -0.3321389), wk = 0.0032573
k( 110) = ( 0.6261028 -0.0655954 -0.3122499), wk = 0.0032573
k( 111) = ( 0.6197976 -0.0552802 -0.2923608), wk = 0.0032573
k( 112) = ( 0.6134925 -0.0449650 -0.2724718), wk = 0.0032573
k( 113) = ( 0.6071874 -0.0346497 -0.2525828), wk = 0.0032573
k( 114) = ( 0.6008822 -0.0243345 -0.2326937), wk = 0.0032573
k( 115) = ( 0.5945771 -0.0140193 -0.2128047), wk = 0.0032573
k( 116) = ( 0.5882719 -0.0037040 -0.1929157), wk = 0.0032573
k( 117) = ( 0.5819668 0.0066112 -0.1730267), wk = 0.0032573
k( 118) = ( 0.5756617 0.0169264 -0.1531377), wk = 0.0032573
k( 119) = ( 0.5693565 0.0272417 -0.1332486), wk = 0.0032573
k( 120) = ( 0.5630514 0.0375569 -0.1133596), wk = 0.0032573
k( 121) = ( 0.5567462 0.0478721 -0.0934706), wk = 0.0032573
k( 122) = ( 0.5504411 0.0581874 -0.0735816), wk = 0.0032573
k( 123) = ( 0.5441360 0.0685026 -0.0536925), wk = 0.0032573
k( 124) = ( 0.5378308 0.0788178 -0.0338035), wk = 0.0032573
k( 125) = ( 0.5315257 0.0891331 -0.0139145), wk = 0.0032573
k( 126) = ( 0.5252206 0.0994483 0.0059745), wk = 0.0032573
k( 127) = ( 0.5189154 0.1097635 0.0258635), wk = 0.0032573
k( 128) = ( 0.5126103 0.1200788 0.0457526), wk = 0.0032573
k( 129) = ( 0.5063051 0.1303940 0.0656416), wk = 0.0032573
k( 130) = ( 0.5000000 0.1407092 0.0855306), wk = 0.0032573
k( 131) = ( 0.5000000 0.1407092 0.0855306), wk = 0.0032573
k( 132) = ( 0.4782609 0.1345914 0.0818119), wk = 0.0032573
k( 133) = ( 0.4565217 0.1284737 0.0780932), wk = 0.0032573
k( 134) = ( 0.4347826 0.1223559 0.0743745), wk = 0.0032573
k( 135) = ( 0.4130435 0.1162381 0.0706557), wk = 0.0032573
k( 136) = ( 0.3913044 0.1101203 0.0669370), wk = 0.0032573
k( 137) = ( 0.3695652 0.1040025 0.0632183), wk = 0.0032573
k( 138) = ( 0.3478261 0.0978847 0.0594996), wk = 0.0032573
k( 139) = ( 0.3260870 0.0917669 0.0557808), wk = 0.0032573
k( 140) = ( 0.3043478 0.0856491 0.0520621), wk = 0.0032573
k( 141) = ( 0.2826087 0.0795313 0.0483434), wk = 0.0032573
k( 142) = ( 0.2608696 0.0734135 0.0446247), wk = 0.0032573
k( 143) = ( 0.2391304 0.0672957 0.0409060), wk = 0.0032573
k( 144) = ( 0.2173913 0.0611779 0.0371872), wk = 0.0032573
k( 145) = ( 0.1956522 0.0550601 0.0334685), wk = 0.0032573
k( 146) = ( 0.1739130 0.0489423 0.0297498), wk = 0.0032573
k( 147) = ( 0.1521739 0.0428246 0.0260311), wk = 0.0032573
k( 148) = ( 0.1304348 0.0367068 0.0223123), wk = 0.0032573
k( 149) = ( 0.1086957 0.0305890 0.0185936), wk = 0.0032573
k( 150) = ( 0.0869565 0.0244712 0.0148749), wk = 0.0032573
k( 151) = ( 0.0652174 0.0183534 0.0111562), wk = 0.0032573
k( 152) = ( 0.0434783 0.0122356 0.0074374), wk = 0.0032573
k( 153) = ( 0.0217391 0.0061178 0.0037187), wk = 0.0032573
k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573
k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573
k( 156) = ( 0.0062249 -0.0101840 -0.0196360), wk = 0.0032573
k( 157) = ( 0.0124499 -0.0203680 -0.0392721), wk = 0.0032573
k( 158) = ( 0.0186748 -0.0305521 -0.0589081), wk = 0.0032573
k( 159) = ( 0.0248997 -0.0407361 -0.0785441), wk = 0.0032573
k( 160) = ( 0.0311247 -0.0509201 -0.0981802), wk = 0.0032573
k( 161) = ( 0.0373496 -0.0611041 -0.1178162), wk = 0.0032573
k( 162) = ( 0.0435746 -0.0712882 -0.1374522), wk = 0.0032573
k( 163) = ( 0.0497995 -0.0814722 -0.1570883), wk = 0.0032573
k( 164) = ( 0.0560244 -0.0916562 -0.1767243), wk = 0.0032573
k( 165) = ( 0.0622494 -0.1018402 -0.1963603), wk = 0.0032573
k( 166) = ( 0.0684743 -0.1120243 -0.2159964), wk = 0.0032573
k( 167) = ( 0.0746992 -0.1222083 -0.2356324), wk = 0.0032573
k( 168) = ( 0.0809242 -0.1323923 -0.2552684), wk = 0.0032573
k( 169) = ( 0.0871491 -0.1425763 -0.2749045), wk = 0.0032573
k( 170) = ( 0.0933741 -0.1527603 -0.2945405), wk = 0.0032573
k( 171) = ( 0.0995990 -0.1629444 -0.3141765), wk = 0.0032573
k( 172) = ( 0.1058239 -0.1731284 -0.3338126), wk = 0.0032573
k( 173) = ( 0.1120489 -0.1833124 -0.3534486), wk = 0.0032573
k( 174) = ( 0.1182738 -0.1934964 -0.3730846), wk = 0.0032573
k( 175) = ( 0.1244987 -0.2036805 -0.3927207), wk = 0.0032573
k( 176) = ( 0.1307237 -0.2138645 -0.4123567), wk = 0.0032573
k( 177) = ( 0.1369486 -0.2240485 -0.4319927), wk = 0.0032573
k( 178) = ( 0.1431736 -0.2342325 -0.4516288), wk = 0.0032573
k( 179) = ( 0.1493985 -0.2444165 -0.4712648), wk = 0.0032573
k( 180) = ( 0.1556234 -0.2546006 -0.4909008), wk = 0.0032573
k( 181) = ( 0.1618484 -0.2647846 -0.5105369), wk = 0.0032573
k( 182) = ( 0.1680733 -0.2749686 -0.5301729), wk = 0.0032573
k( 183) = ( 0.1742982 -0.2851526 -0.5498089), wk = 0.0032573
k( 184) = ( 0.1805232 -0.2953367 -0.5694450), wk = 0.0032573
k( 185) = ( 0.1867481 -0.3055207 -0.5890810), wk = 0.0032573
k( 186) = ( 0.1929730 -0.3157047 -0.6087170), wk = 0.0032573
k( 187) = ( 0.1991980 -0.3258887 -0.6283531), wk = 0.0032573
k( 188) = ( 0.2054229 -0.3360728 -0.6479891), wk = 0.0032573
k( 189) = ( 0.2116478 -0.3462568 -0.6676251), wk = 0.0032573
k( 190) = ( 0.2178728 -0.3564408 -0.6872612), wk = 0.0032573
k( 191) = ( 0.2240977 -0.3666248 -0.7068972), wk = 0.0032573
k( 192) = ( 0.2303227 -0.3768088 -0.7265332), wk = 0.0032573
k( 193) = ( 0.2365476 -0.3869929 -0.7461693), wk = 0.0032573
k( 194) = ( 0.2427725 -0.3971769 -0.7658053), wk = 0.0032573
k( 195) = ( 0.2489975 -0.4073609 -0.7854413), wk = 0.0032573
k( 196) = ( 0.2552224 -0.4175449 -0.8050774), wk = 0.0032573
k( 197) = ( 0.2614474 -0.4277290 -0.8247134), wk = 0.0032573
k( 198) = ( 0.2676723 -0.4379130 -0.8443494), wk = 0.0032573
k( 199) = ( 0.2738972 -0.4480970 -0.8639855), wk = 0.0032573
k( 200) = ( 0.2801222 -0.4582810 -0.8836215), wk = 0.0032573
k( 201) = ( 0.2863471 -0.4684650 -0.9032575), wk = 0.0032573
k( 202) = ( 0.2925720 -0.4786491 -0.9228936), wk = 0.0032573
k( 203) = ( 0.2987970 -0.4888331 -0.9425296), wk = 0.0032573
k( 204) = ( 0.3050219 -0.4990171 -0.9621656), wk = 0.0032573
k( 205) = ( 0.3112468 -0.5092011 -0.9818017), wk = 0.0032573
k( 206) = ( 0.3174718 -0.5193852 -1.0014377), wk = 0.0032573
k( 207) = ( 0.3236967 -0.5295692 -1.0210737), wk = 0.0032573
k( 208) = ( 0.3299217 -0.5397532 -1.0407098), wk = 0.0032573
k( 209) = ( 0.3361466 -0.5499372 -1.0603458), wk = 0.0032573
k( 210) = ( 0.3423715 -0.5601213 -1.0799818), wk = 0.0032573
k( 211) = ( 0.6576285 -0.4194120 -0.9944512), wk = 0.0032573
k( 212) = ( 0.6513233 -0.3970072 -0.9944512), wk = 0.0032573
k( 213) = ( 0.6450182 -0.3746023 -0.9944512), wk = 0.0032573
k( 214) = ( 0.6387131 -0.3521975 -0.9944512), wk = 0.0032573
k( 215) = ( 0.6324079 -0.3297926 -0.9944512), wk = 0.0032573
k( 216) = ( 0.6261028 -0.3073878 -0.9944512), wk = 0.0032573
k( 217) = ( 0.6197976 -0.2849829 -0.9944512), wk = 0.0032573
k( 218) = ( 0.6134925 -0.2625781 -0.9944512), wk = 0.0032573
k( 219) = ( 0.6071874 -0.2401732 -0.9944512), wk = 0.0032573
k( 220) = ( 0.6008822 -0.2177684 -0.9944512), wk = 0.0032573
k( 221) = ( 0.5945771 -0.1953635 -0.9944512), wk = 0.0032573
k( 222) = ( 0.5882719 -0.1729587 -0.9944512), wk = 0.0032573
k( 223) = ( 0.5819668 -0.1505538 -0.9944512), wk = 0.0032573
k( 224) = ( 0.5756617 -0.1281490 -0.9944512), wk = 0.0032573
k( 225) = ( 0.5693565 -0.1057441 -0.9944512), wk = 0.0032573
k( 226) = ( 0.5630514 -0.0833393 -0.9944512), wk = 0.0032573
k( 227) = ( 0.5567462 -0.0609344 -0.9944512), wk = 0.0032573
k( 228) = ( 0.5504411 -0.0385296 -0.9944512), wk = 0.0032573
k( 229) = ( 0.5441360 -0.0161247 -0.9944512), wk = 0.0032573
k( 230) = ( 0.5378308 0.0062802 -0.9944512), wk = 0.0032573
k( 231) = ( 0.5315257 0.0286850 -0.9944512), wk = 0.0032573
k( 232) = ( 0.5252206 0.0510898 -0.9944512), wk = 0.0032573
k( 233) = ( 0.5189154 0.0734947 -0.9944512), wk = 0.0032573
k( 234) = ( 0.5126103 0.0958995 -0.9944512), wk = 0.0032573
k( 235) = ( 0.5063051 0.1183044 -0.9944512), wk = 0.0032573
k( 236) = ( 0.5000000 0.1407092 -0.9944512), wk = 0.0032573
k( 237) = ( 0.5000000 0.1407092 -0.9944512), wk = 0.0032573
k( 238) = ( 0.5197036 0.1462542 -0.9837599), wk = 0.0032573
k( 239) = ( 0.5394071 0.1517991 -0.9730685), wk = 0.0032573
k( 240) = ( 0.5591107 0.1573441 -0.9623772), wk = 0.0032573
k( 241) = ( 0.5788142 0.1628890 -0.9516859), wk = 0.0032573
k( 242) = ( 0.5985178 0.1684340 -0.9409946), wk = 0.0032573
k( 243) = ( 0.6182214 0.1739789 -0.9303032), wk = 0.0032573
k( 244) = ( 0.6379249 0.1795239 -0.9196119), wk = 0.0032573
k( 245) = ( 0.6576285 0.1850688 -0.9089206), wk = 0.0032573
k( 246) = ( 0.6576285 0.1850688 -0.9089206), wk = 0.0032573
k( 247) = ( 0.6540460 0.1840606 -0.8863194), wk = 0.0032573
k( 248) = ( 0.6504635 0.1830525 -0.8637182), wk = 0.0032573
k( 249) = ( 0.6468811 0.1820443 -0.8411171), wk = 0.0032573
k( 250) = ( 0.6432986 0.1810361 -0.8185159), wk = 0.0032573
k( 251) = ( 0.6397162 0.1800279 -0.7959147), wk = 0.0032573
k( 252) = ( 0.6361337 0.1790198 -0.7733136), wk = 0.0032573
k( 253) = ( 0.6325512 0.1780116 -0.7507124), wk = 0.0032573
k( 254) = ( 0.6289687 0.1770034 -0.7281113), wk = 0.0032573
k( 255) = ( 0.6253863 0.1759953 -0.7055101), wk = 0.0032573
k( 256) = ( 0.6218038 0.1749871 -0.6829089), wk = 0.0032573
k( 257) = ( 0.6182214 0.1739789 -0.6603078), wk = 0.0032573
k( 258) = ( 0.6146389 0.1729707 -0.6377066), wk = 0.0032573
k( 259) = ( 0.6110564 0.1719626 -0.6151054), wk = 0.0032573
k( 260) = ( 0.6074740 0.1709544 -0.5925043), wk = 0.0032573
k( 261) = ( 0.6038915 0.1699462 -0.5699031), wk = 0.0032573
k( 262) = ( 0.6003090 0.1689381 -0.5473020), wk = 0.0032573
k( 263) = ( 0.5967266 0.1679299 -0.5247008), wk = 0.0032573
k( 264) = ( 0.5931441 0.1669217 -0.5020996), wk = 0.0032573
k( 265) = ( 0.5895616 0.1659135 -0.4794985), wk = 0.0032573
k( 266) = ( 0.5859792 0.1649054 -0.4568973), wk = 0.0032573
k( 267) = ( 0.5823967 0.1638972 -0.4342961), wk = 0.0032573
k( 268) = ( 0.5788142 0.1628890 -0.4116950), wk = 0.0032573
k( 269) = ( 0.5752318 0.1618809 -0.3890938), wk = 0.0032573
k( 270) = ( 0.5716493 0.1608727 -0.3664926), wk = 0.0032573
k( 271) = ( 0.5680668 0.1598645 -0.3438915), wk = 0.0032573
k( 272) = ( 0.5644844 0.1588563 -0.3212903), wk = 0.0032573
k( 273) = ( 0.5609019 0.1578482 -0.2986891), wk = 0.0032573
k( 274) = ( 0.5573194 0.1568400 -0.2760880), wk = 0.0032573
k( 275) = ( 0.5537370 0.1558318 -0.2534868), wk = 0.0032573
k( 276) = ( 0.5501545 0.1548236 -0.2308857), wk = 0.0032573
k( 277) = ( 0.5465720 0.1538155 -0.2082845), wk = 0.0032573
k( 278) = ( 0.5429896 0.1528073 -0.1856833), wk = 0.0032573
k( 279) = ( 0.5394071 0.1517991 -0.1630822), wk = 0.0032573
k( 280) = ( 0.5358247 0.1507910 -0.1404810), wk = 0.0032573
k( 281) = ( 0.5322422 0.1497828 -0.1178799), wk = 0.0032573
k( 282) = ( 0.5286597 0.1487746 -0.0952787), wk = 0.0032573
k( 283) = ( 0.5250773 0.1477664 -0.0726775), wk = 0.0032573
k( 284) = ( 0.5214948 0.1467583 -0.0500763), wk = 0.0032573
k( 285) = ( 0.5179123 0.1457501 -0.0274752), wk = 0.0032573
k( 286) = ( 0.5143299 0.1447419 -0.0048740), wk = 0.0032573
k( 287) = ( 0.5107474 0.1437338 0.0177271), wk = 0.0032573
k( 288) = ( 0.5071649 0.1427256 0.0403283), wk = 0.0032573
k( 289) = ( 0.5035825 0.1417174 0.0629295), wk = 0.0032573
k( 290) = ( 0.5000000 0.1407092 0.0855306), wk = 0.0032573
k( 291) = ( 0.5000000 -0.8180021 -0.4972256), wk = 0.0032573
k( 292) = ( 0.5197036 -0.8092078 -0.4918799), wk = 0.0032573
k( 293) = ( 0.5394071 -0.8004135 -0.4865343), wk = 0.0032573
k( 294) = ( 0.5591107 -0.7916191 -0.4811886), wk = 0.0032573
k( 295) = ( 0.5788142 -0.7828248 -0.4758429), wk = 0.0032573
k( 296) = ( 0.5985178 -0.7740305 -0.4704973), wk = 0.0032573
k( 297) = ( 0.6182214 -0.7652362 -0.4651516), wk = 0.0032573
k( 298) = ( 0.6379249 -0.7564418 -0.4598059), wk = 0.0032573
k( 299) = ( 0.6576285 -0.7476475 -0.4544603), wk = 0.0032573
k( 300) = ( 0.6773320 -0.7388532 -0.4491146), wk = 0.0032573
k( 301) = ( 0.6970356 -0.7300588 -0.4437690), wk = 0.0032573
k( 302) = ( 0.7167391 -0.7212645 -0.4384233), wk = 0.0032573
k( 303) = ( 0.7364427 -0.7124702 -0.4330776), wk = 0.0032573
k( 304) = ( 0.7561463 -0.7036758 -0.4277320), wk = 0.0032573
k( 305) = ( 0.7758498 -0.6948815 -0.4223863), wk = 0.0032573
k( 306) = ( 0.7955534 -0.6860872 -0.4170406), wk = 0.0032573
k( 307) = ( 0.8152569 -0.6772929 -0.4116950), wk = 0.0032573
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573
k( 2) = ( 0.0106383 -0.0000000 -0.0000000), wk = 0.0032573
k( 3) = ( 0.0212766 -0.0000000 -0.0000000), wk = 0.0032573
k( 4) = ( 0.0319149 0.0000000 -0.0000000), wk = 0.0032573
k( 5) = ( 0.0425532 -0.0000000 -0.0000000), wk = 0.0032573
k( 6) = ( 0.0531915 -0.0000000 -0.0000000), wk = 0.0032573
k( 7) = ( 0.0638298 -0.0000000 0.0000000), wk = 0.0032573
k( 8) = ( 0.0744681 -0.0000000 -0.0000000), wk = 0.0032573
k( 9) = ( 0.0851064 -0.0000000 -0.0000000), wk = 0.0032573
k( 10) = ( 0.0957447 -0.0000000 -0.0000000), wk = 0.0032573
k( 11) = ( 0.1063830 -0.0000000 -0.0000000), wk = 0.0032573
k( 12) = ( 0.1170213 0.0000000 -0.0000000), wk = 0.0032573
k( 13) = ( 0.1276596 -0.0000000 0.0000000), wk = 0.0032573
k( 14) = ( 0.1382979 -0.0000000 -0.0000000), wk = 0.0032573
k( 15) = ( 0.1489362 -0.0000000 -0.0000000), wk = 0.0032573
k( 16) = ( 0.1595745 0.0000000 -0.0000000), wk = 0.0032573
k( 17) = ( 0.1702128 -0.0000000 -0.0000000), wk = 0.0032573
k( 18) = ( 0.1808511 -0.0000000 -0.0000000), wk = 0.0032573
k( 19) = ( 0.1914894 -0.0000000 -0.0000000), wk = 0.0032573
k( 20) = ( 0.2021277 0.0000000 -0.0000000), wk = 0.0032573
k( 21) = ( 0.2127660 -0.0000000 -0.0000000), wk = 0.0032573
k( 22) = ( 0.2234043 -0.0000000 -0.0000000), wk = 0.0032573
k( 23) = ( 0.2340425 -0.0000000 -0.0000000), wk = 0.0032573
k( 24) = ( 0.2446809 -0.0000000 0.0000000), wk = 0.0032573
k( 25) = ( 0.2553191 -0.0000000 -0.0000000), wk = 0.0032573
k( 26) = ( 0.2659574 -0.0000000 -0.0000000), wk = 0.0032573
k( 27) = ( 0.2765957 -0.0000000 -0.0000000), wk = 0.0032573
k( 28) = ( 0.2872340 -0.0000000 -0.0000000), wk = 0.0032573
k( 29) = ( 0.2978723 -0.0000000 -0.0000000), wk = 0.0032573
k( 30) = ( 0.3085106 -0.0000000 -0.0000000), wk = 0.0032573
k( 31) = ( 0.3191489 0.0000000 -0.0000000), wk = 0.0032573
k( 32) = ( 0.3297872 -0.0000000 -0.0000000), wk = 0.0032573
k( 33) = ( 0.3404255 0.0000000 -0.0000000), wk = 0.0032573
k( 34) = ( 0.3510638 -0.0000000 -0.0000000), wk = 0.0032573
k( 35) = ( 0.3617021 -0.0000000 -0.0000000), wk = 0.0032573
k( 36) = ( 0.3723404 -0.0000000 -0.0000000), wk = 0.0032573
k( 37) = ( 0.3829787 -0.0000000 -0.0000000), wk = 0.0032573
k( 38) = ( 0.3936170 -0.0000000 -0.0000000), wk = 0.0032573
k( 39) = ( 0.4042553 0.0000000 -0.0000000), wk = 0.0032573
k( 40) = ( 0.4148936 -0.0000000 -0.0000000), wk = 0.0032573
k( 41) = ( 0.4255319 0.0000000 -0.0000000), wk = 0.0032573
k( 42) = ( 0.4361702 -0.0000000 0.0000000), wk = 0.0032573
k( 43) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0032573
k( 44) = ( 0.4574468 -0.0000000 -0.0000000), wk = 0.0032573
k( 45) = ( 0.4680851 -0.0000000 -0.0000000), wk = 0.0032573
k( 46) = ( 0.4787234 -0.0000000 -0.0000000), wk = 0.0032573
k( 47) = ( 0.4893617 -0.0000000 0.0000000), wk = 0.0032573
k( 48) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032573
k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032573
k( 50) = ( 0.5000000 0.0061581 -0.0061581), wk = 0.0032573
k( 51) = ( 0.5000000 0.0123162 -0.0123162), wk = 0.0032573
k( 52) = ( 0.5000000 0.0184743 -0.0184743), wk = 0.0032573
k( 53) = ( 0.5000000 0.0246324 -0.0246324), wk = 0.0032573
k( 54) = ( 0.5000000 0.0307905 -0.0307905), wk = 0.0032573
k( 55) = ( 0.5000000 0.0369486 -0.0369486), wk = 0.0032573
k( 56) = ( 0.5000000 0.0431067 -0.0431067), wk = 0.0032573
k( 57) = ( 0.5000000 0.0492648 -0.0492648), wk = 0.0032573
k( 58) = ( 0.5000000 0.0554229 -0.0554229), wk = 0.0032573
k( 59) = ( 0.5000000 0.0615810 -0.0615810), wk = 0.0032573
k( 60) = ( 0.5000000 0.0677391 -0.0677391), wk = 0.0032573
k( 61) = ( 0.5000000 0.0738972 -0.0738972), wk = 0.0032573
k( 62) = ( 0.5000000 0.0800553 -0.0800553), wk = 0.0032573
k( 63) = ( 0.5000000 0.0862134 -0.0862134), wk = 0.0032573
k( 64) = ( 0.5000000 0.0923715 -0.0923715), wk = 0.0032573
k( 65) = ( 0.5000000 0.0985296 -0.0985296), wk = 0.0032573
k( 66) = ( 0.5000000 0.1046877 -0.1046877), wk = 0.0032573
k( 67) = ( 0.5000000 0.1108458 -0.1108458), wk = 0.0032573
k( 68) = ( 0.5000000 0.1170039 -0.1170039), wk = 0.0032573
k( 69) = ( 0.5000000 0.1231620 -0.1231620), wk = 0.0032573
k( 70) = ( 0.5000000 0.1293201 -0.1293201), wk = 0.0032573
k( 71) = ( 0.5000000 0.1354782 -0.1354782), wk = 0.0032573
k( 72) = ( 0.5000000 0.1416363 -0.1416363), wk = 0.0032573
k( 73) = ( 0.5000000 0.1477944 -0.1477944), wk = 0.0032573
k( 74) = ( 0.5000000 0.1539525 -0.1539525), wk = 0.0032573
k( 75) = ( 0.5000000 0.1601106 -0.1601107), wk = 0.0032573
k( 76) = ( 0.5000000 0.1662687 -0.1662687), wk = 0.0032573
k( 77) = ( 0.5000000 0.1724268 -0.1724268), wk = 0.0032573
k( 78) = ( 0.5000000 0.1785849 -0.1785850), wk = 0.0032573
k( 79) = ( 0.5000000 0.1847430 -0.1847431), wk = 0.0032573
k( 80) = ( 0.8152569 0.5000000 0.1847430), wk = 0.0032573
k( 81) = ( 0.8089518 0.5000000 0.1910482), wk = 0.0032573
k( 82) = ( 0.8026467 0.5000000 0.1973533), wk = 0.0032573
k( 83) = ( 0.7963415 0.5000000 0.2036585), wk = 0.0032573
k( 84) = ( 0.7900364 0.5000000 0.2099636), wk = 0.0032573
k( 85) = ( 0.7837312 0.5000000 0.2162688), wk = 0.0032573
k( 86) = ( 0.7774261 0.5000000 0.2225739), wk = 0.0032573
k( 87) = ( 0.7711210 0.5000000 0.2288790), wk = 0.0032573
k( 88) = ( 0.7648158 0.5000000 0.2351842), wk = 0.0032573
k( 89) = ( 0.7585107 0.5000000 0.2414893), wk = 0.0032573
k( 90) = ( 0.7522056 0.5000000 0.2477944), wk = 0.0032573
k( 91) = ( 0.7459004 0.5000000 0.2540996), wk = 0.0032573
k( 92) = ( 0.7395953 0.5000000 0.2604047), wk = 0.0032573
k( 93) = ( 0.7332901 0.5000000 0.2667099), wk = 0.0032573
k( 94) = ( 0.7269850 0.5000000 0.2730150), wk = 0.0032573
k( 95) = ( 0.7206799 0.5000000 0.2793201), wk = 0.0032573
k( 96) = ( 0.7143747 0.5000000 0.2856253), wk = 0.0032573
k( 97) = ( 0.7080696 0.5000000 0.2919304), wk = 0.0032573
k( 98) = ( 0.7017644 0.5000000 0.2982356), wk = 0.0032573
k( 99) = ( 0.6954593 0.5000000 0.3045407), wk = 0.0032573
k( 100) = ( 0.6891542 0.5000000 0.3108458), wk = 0.0032573
k( 101) = ( 0.6828490 0.5000000 0.3171510), wk = 0.0032573
k( 102) = ( 0.6765439 0.5000000 0.3234561), wk = 0.0032573
k( 103) = ( 0.6702387 0.5000000 0.3297613), wk = 0.0032573
k( 104) = ( 0.6639336 0.5000000 0.3360664), wk = 0.0032573
k( 105) = ( 0.6576285 0.5000000 0.3423715), wk = 0.0032573
k( 106) = ( 0.6513233 0.5000000 0.3486767), wk = 0.0032573
k( 107) = ( 0.6450182 0.5000000 0.3549818), wk = 0.0032573
k( 108) = ( 0.6387131 0.5000000 0.3612869), wk = 0.0032573
k( 109) = ( 0.6324079 0.5000000 0.3675921), wk = 0.0032573
k( 110) = ( 0.6261028 0.5000000 0.3738972), wk = 0.0032573
k( 111) = ( 0.6197976 0.5000000 0.3802024), wk = 0.0032573
k( 112) = ( 0.6134925 0.5000000 0.3865075), wk = 0.0032573
k( 113) = ( 0.6071874 0.5000000 0.3928126), wk = 0.0032573
k( 114) = ( 0.6008822 0.5000000 0.3991178), wk = 0.0032573
k( 115) = ( 0.5945771 0.5000000 0.4054229), wk = 0.0032573
k( 116) = ( 0.5882719 0.5000000 0.4117281), wk = 0.0032573
k( 117) = ( 0.5819668 0.5000000 0.4180332), wk = 0.0032573
k( 118) = ( 0.5756617 0.5000000 0.4243383), wk = 0.0032573
k( 119) = ( 0.5693565 0.5000000 0.4306435), wk = 0.0032573
k( 120) = ( 0.5630514 0.5000000 0.4369486), wk = 0.0032573
k( 121) = ( 0.5567462 0.5000000 0.4432538), wk = 0.0032573
k( 122) = ( 0.5504411 0.5000000 0.4495589), wk = 0.0032573
k( 123) = ( 0.5441360 0.5000000 0.4558640), wk = 0.0032573
k( 124) = ( 0.5378308 0.5000000 0.4621692), wk = 0.0032573
k( 125) = ( 0.5315257 0.5000000 0.4684743), wk = 0.0032573
k( 126) = ( 0.5252206 0.5000000 0.4747794), wk = 0.0032573
k( 127) = ( 0.5189154 0.5000000 0.4810846), wk = 0.0032573
k( 128) = ( 0.5126103 0.5000000 0.4873897), wk = 0.0032573
k( 129) = ( 0.5063051 0.5000000 0.4936949), wk = 0.0032573
k( 130) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573
k( 131) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573
k( 132) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573
k( 133) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573
k( 134) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573
k( 135) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573
k( 136) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0032573
k( 137) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573
k( 138) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573
k( 139) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573
k( 140) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573
k( 141) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573
k( 142) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573
k( 143) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573
k( 144) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573
k( 145) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573
k( 146) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573
k( 147) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573
k( 148) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573
k( 149) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0032573
k( 150) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573
k( 151) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573
k( 152) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573
k( 153) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573
k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573
k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573
k( 156) = ( 0.0062249 -0.0000000 -0.0062249), wk = 0.0032573
k( 157) = ( 0.0124499 -0.0000000 -0.0124499), wk = 0.0032573
k( 158) = ( 0.0186748 0.0000000 -0.0186748), wk = 0.0032573
k( 159) = ( 0.0248997 -0.0000000 -0.0248998), wk = 0.0032573
k( 160) = ( 0.0311247 -0.0000000 -0.0311247), wk = 0.0032573
k( 161) = ( 0.0373496 0.0000000 -0.0373496), wk = 0.0032573
k( 162) = ( 0.0435746 -0.0000000 -0.0435746), wk = 0.0032573
k( 163) = ( 0.0497995 -0.0000000 -0.0497995), wk = 0.0032573
k( 164) = ( 0.0560244 0.0000000 -0.0560244), wk = 0.0032573
k( 165) = ( 0.0622494 0.0000000 -0.0622494), wk = 0.0032573
k( 166) = ( 0.0684743 -0.0000000 -0.0684743), wk = 0.0032573
k( 167) = ( 0.0746992 0.0000000 -0.0746992), wk = 0.0032573
k( 168) = ( 0.0809242 -0.0000000 -0.0809242), wk = 0.0032573
k( 169) = ( 0.0871491 -0.0000000 -0.0871491), wk = 0.0032573
k( 170) = ( 0.0933741 -0.0000000 -0.0933741), wk = 0.0032573
k( 171) = ( 0.0995990 -0.0000000 -0.0995990), wk = 0.0032573
k( 172) = ( 0.1058239 -0.0000000 -0.1058239), wk = 0.0032573
k( 173) = ( 0.1120489 0.0000000 -0.1120489), wk = 0.0032573
k( 174) = ( 0.1182738 -0.0000000 -0.1182738), wk = 0.0032573
k( 175) = ( 0.1244987 0.0000000 -0.1244987), wk = 0.0032573
k( 176) = ( 0.1307237 -0.0000000 -0.1307237), wk = 0.0032573
k( 177) = ( 0.1369486 -0.0000000 -0.1369486), wk = 0.0032573
k( 178) = ( 0.1431736 -0.0000000 -0.1431736), wk = 0.0032573
k( 179) = ( 0.1493985 0.0000000 -0.1493985), wk = 0.0032573
k( 180) = ( 0.1556234 -0.0000000 -0.1556234), wk = 0.0032573
k( 181) = ( 0.1618484 -0.0000000 -0.1618484), wk = 0.0032573
k( 182) = ( 0.1680733 -0.0000000 -0.1680733), wk = 0.0032573
k( 183) = ( 0.1742982 -0.0000000 -0.1742982), wk = 0.0032573
k( 184) = ( 0.1805232 -0.0000000 -0.1805232), wk = 0.0032573
k( 185) = ( 0.1867481 -0.0000000 -0.1867481), wk = 0.0032573
k( 186) = ( 0.1929730 -0.0000000 -0.1929730), wk = 0.0032573
k( 187) = ( 0.1991980 -0.0000000 -0.1991980), wk = 0.0032573
k( 188) = ( 0.2054229 -0.0000000 -0.2054229), wk = 0.0032573
k( 189) = ( 0.2116478 -0.0000000 -0.2116479), wk = 0.0032573
k( 190) = ( 0.2178728 -0.0000000 -0.2178728), wk = 0.0032573
k( 191) = ( 0.2240977 -0.0000000 -0.2240977), wk = 0.0032573
k( 192) = ( 0.2303227 -0.0000000 -0.2303227), wk = 0.0032573
k( 193) = ( 0.2365476 -0.0000000 -0.2365476), wk = 0.0032573
k( 194) = ( 0.2427725 -0.0000000 -0.2427725), wk = 0.0032573
k( 195) = ( 0.2489975 -0.0000000 -0.2489975), wk = 0.0032573
k( 196) = ( 0.2552224 0.0000000 -0.2552224), wk = 0.0032573
k( 197) = ( 0.2614474 -0.0000000 -0.2614474), wk = 0.0032573
k( 198) = ( 0.2676723 -0.0000000 -0.2676723), wk = 0.0032573
k( 199) = ( 0.2738972 -0.0000000 -0.2738972), wk = 0.0032573
k( 200) = ( 0.2801222 -0.0000000 -0.2801222), wk = 0.0032573
k( 201) = ( 0.2863471 -0.0000000 -0.2863471), wk = 0.0032573
k( 202) = ( 0.2925720 -0.0000000 -0.2925720), wk = 0.0032573
k( 203) = ( 0.2987970 -0.0000000 -0.2987970), wk = 0.0032573
k( 204) = ( 0.3050219 -0.0000000 -0.3050219), wk = 0.0032573
k( 205) = ( 0.3112468 -0.0000000 -0.3112468), wk = 0.0032573
k( 206) = ( 0.3174718 -0.0000000 -0.3174718), wk = 0.0032573
k( 207) = ( 0.3236967 -0.0000000 -0.3236967), wk = 0.0032573
k( 208) = ( 0.3299217 -0.0000000 -0.3299217), wk = 0.0032573
k( 209) = ( 0.3361466 0.0000000 -0.3361466), wk = 0.0032573
k( 210) = ( 0.3423715 -0.0000000 -0.3423715), wk = 0.0032573
k( 211) = ( 0.6576285 0.3423715 -0.0000000), wk = 0.0032573
k( 212) = ( 0.6513233 0.3486767 -0.0000000), wk = 0.0032573
k( 213) = ( 0.6450182 0.3549818 -0.0000000), wk = 0.0032573
k( 214) = ( 0.6387131 0.3612869 -0.0000000), wk = 0.0032573
k( 215) = ( 0.6324079 0.3675921 -0.0000000), wk = 0.0032573
k( 216) = ( 0.6261028 0.3738972 -0.0000000), wk = 0.0032573
k( 217) = ( 0.6197976 0.3802024 -0.0000000), wk = 0.0032573
k( 218) = ( 0.6134925 0.3865075 -0.0000000), wk = 0.0032573
k( 219) = ( 0.6071874 0.3928126 -0.0000000), wk = 0.0032573
k( 220) = ( 0.6008822 0.3991178 -0.0000000), wk = 0.0032573
k( 221) = ( 0.5945771 0.4054229 -0.0000000), wk = 0.0032573
k( 222) = ( 0.5882719 0.4117281 -0.0000000), wk = 0.0032573
k( 223) = ( 0.5819668 0.4180332 -0.0000000), wk = 0.0032573
k( 224) = ( 0.5756617 0.4243383 -0.0000000), wk = 0.0032573
k( 225) = ( 0.5693565 0.4306435 -0.0000000), wk = 0.0032573
k( 226) = ( 0.5630514 0.4369486 -0.0000000), wk = 0.0032573
k( 227) = ( 0.5567462 0.4432538 -0.0000000), wk = 0.0032573
k( 228) = ( 0.5504411 0.4495589 -0.0000000), wk = 0.0032573
k( 229) = ( 0.5441360 0.4558640 -0.0000000), wk = 0.0032573
k( 230) = ( 0.5378308 0.4621692 -0.0000000), wk = 0.0032573
k( 231) = ( 0.5315257 0.4684743 -0.0000000), wk = 0.0032573
k( 232) = ( 0.5252206 0.4747794 0.0000000), wk = 0.0032573
k( 233) = ( 0.5189154 0.4810846 -0.0000000), wk = 0.0032573
k( 234) = ( 0.5126103 0.4873897 -0.0000000), wk = 0.0032573
k( 235) = ( 0.5063051 0.4936949 -0.0000000), wk = 0.0032573
k( 236) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573
k( 237) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573
k( 238) = ( 0.5197036 0.5197036 0.0230929), wk = 0.0032573
k( 239) = ( 0.5394071 0.5394071 0.0461858), wk = 0.0032573
k( 240) = ( 0.5591107 0.5591107 0.0692786), wk = 0.0032573
k( 241) = ( 0.5788142 0.5788142 0.0923715), wk = 0.0032573
k( 242) = ( 0.5985178 0.5985178 0.1154644), wk = 0.0032573
k( 243) = ( 0.6182214 0.6182214 0.1385573), wk = 0.0032573
k( 244) = ( 0.6379249 0.6379249 0.1616502), wk = 0.0032573
k( 245) = ( 0.6576285 0.6576285 0.1847430), wk = 0.0032573
k( 246) = ( 0.6576285 0.6576285 0.1847430), wk = 0.0032573
k( 247) = ( 0.6540460 0.6540460 0.1919080), wk = 0.0032573
k( 248) = ( 0.6504635 0.6504635 0.1990729), wk = 0.0032573
k( 249) = ( 0.6468811 0.6468811 0.2062378), wk = 0.0032573
k( 250) = ( 0.6432986 0.6432986 0.2134028), wk = 0.0032573
k( 251) = ( 0.6397162 0.6397162 0.2205677), wk = 0.0032573
k( 252) = ( 0.6361337 0.6361337 0.2277326), wk = 0.0032573
k( 253) = ( 0.6325512 0.6325512 0.2348976), wk = 0.0032573
k( 254) = ( 0.6289687 0.6289687 0.2420625), wk = 0.0032573
k( 255) = ( 0.6253863 0.6253863 0.2492274), wk = 0.0032573
k( 256) = ( 0.6218038 0.6218038 0.2563924), wk = 0.0032573
k( 257) = ( 0.6182214 0.6182214 0.2635573), wk = 0.0032573
k( 258) = ( 0.6146389 0.6146389 0.2707222), wk = 0.0032573
k( 259) = ( 0.6110564 0.6110564 0.2778872), wk = 0.0032573
k( 260) = ( 0.6074740 0.6074740 0.2850521), wk = 0.0032573
k( 261) = ( 0.6038915 0.6038915 0.2922170), wk = 0.0032573
k( 262) = ( 0.6003090 0.6003090 0.2993819), wk = 0.0032573
k( 263) = ( 0.5967266 0.5967266 0.3065469), wk = 0.0032573
k( 264) = ( 0.5931441 0.5931441 0.3137118), wk = 0.0032573
k( 265) = ( 0.5895616 0.5895616 0.3208767), wk = 0.0032573
k( 266) = ( 0.5859792 0.5859792 0.3280417), wk = 0.0032573
k( 267) = ( 0.5823967 0.5823967 0.3352066), wk = 0.0032573
k( 268) = ( 0.5788142 0.5788142 0.3423715), wk = 0.0032573
k( 269) = ( 0.5752318 0.5752318 0.3495365), wk = 0.0032573
k( 270) = ( 0.5716493 0.5716493 0.3567014), wk = 0.0032573
k( 271) = ( 0.5680668 0.5680668 0.3638663), wk = 0.0032573
k( 272) = ( 0.5644844 0.5644844 0.3710312), wk = 0.0032573
k( 273) = ( 0.5609019 0.5609019 0.3781962), wk = 0.0032573
k( 274) = ( 0.5573194 0.5573194 0.3853611), wk = 0.0032573
k( 275) = ( 0.5537370 0.5537370 0.3925260), wk = 0.0032573
k( 276) = ( 0.5501545 0.5501545 0.3996910), wk = 0.0032573
k( 277) = ( 0.5465720 0.5465720 0.4068559), wk = 0.0032573
k( 278) = ( 0.5429896 0.5429896 0.4140208), wk = 0.0032573
k( 279) = ( 0.5394071 0.5394071 0.4211858), wk = 0.0032573
k( 280) = ( 0.5358247 0.5358247 0.4283507), wk = 0.0032573
k( 281) = ( 0.5322422 0.5322422 0.4355156), wk = 0.0032573
k( 282) = ( 0.5286597 0.5286597 0.4426806), wk = 0.0032573
k( 283) = ( 0.5250773 0.5250773 0.4498455), wk = 0.0032573
k( 284) = ( 0.5214948 0.5214948 0.4570104), wk = 0.0032573
k( 285) = ( 0.5179123 0.5179123 0.4641754), wk = 0.0032573
k( 286) = ( 0.5143299 0.5143299 0.4713403), wk = 0.0032573
k( 287) = ( 0.5107474 0.5107474 0.4785052), wk = 0.0032573
k( 288) = ( 0.5071649 0.5071649 0.4856701), wk = 0.0032573
k( 289) = ( 0.5035825 0.5035825 0.4928351), wk = 0.0032573
k( 290) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573
k( 291) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032573
k( 292) = ( 0.5197036 0.0213982 0.0213982), wk = 0.0032573
k( 293) = ( 0.5394071 0.0427964 0.0427964), wk = 0.0032573
k( 294) = ( 0.5591107 0.0641947 0.0641947), wk = 0.0032573
k( 295) = ( 0.5788142 0.0855929 0.0855929), wk = 0.0032573
k( 296) = ( 0.5985178 0.1069911 0.1069911), wk = 0.0032573
k( 297) = ( 0.6182214 0.1283893 0.1283893), wk = 0.0032573
k( 298) = ( 0.6379249 0.1497875 0.1497875), wk = 0.0032573
k( 299) = ( 0.6576285 0.1711858 0.1711858), wk = 0.0032573
k( 300) = ( 0.6773320 0.1925840 0.1925840), wk = 0.0032573
k( 301) = ( 0.6970356 0.2139822 0.2139822), wk = 0.0032573
k( 302) = ( 0.7167391 0.2353804 0.2353804), wk = 0.0032573
k( 303) = ( 0.7364427 0.2567786 0.2567786), wk = 0.0032573
k( 304) = ( 0.7561463 0.2781769 0.2781769), wk = 0.0032573
k( 305) = ( 0.7758498 0.2995751 0.2995751), wk = 0.0032573
k( 306) = ( 0.7955534 0.3209733 0.3209733), wk = 0.0032573
k( 307) = ( 0.8152569 0.3423715 0.3423715), wk = 0.0032573
Dense grid: 63243 G-vectors FFT dimensions: ( 80, 80, 80)
Smooth grid: 47601 G-vectors FFT dimensions: ( 75, 75, 75)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.22 Mb ( 336, 42)
NL pseudopotentials 0.19 Mb ( 168, 76)
Each V/rho on FFT grid 0.29 Mb ( 19200)
Each G-vector array 0.01 Mb ( 1756)
G-vector shells 0.01 Mb ( 1444)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.86 Mb ( 336, 168)
Each subspace H/S matrix 0.03 Mb ( 42, 42)
Each <psi_i|beta_j> matrix 0.10 Mb ( 76, 2, 42)
The potential is recalculated from file :
./NaInSe2.save/charge-density.dat
Starting wfc are 44 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 3.2 secs
Computing kpt #: 2
total cpu time spent up to now is 4.0 secs
Computing kpt #: 3
total cpu time spent up to now is 4.7 secs
Computing kpt #: 4
total cpu time spent up to now is 5.5 secs
Computing kpt #: 5
total cpu time spent up to now is 6.3 secs
Computing kpt #: 6
total cpu time spent up to now is 7.1 secs
Computing kpt #: 7
total cpu time spent up to now is 7.8 secs
Computing kpt #: 8
total cpu time spent up to now is 8.6 secs
Computing kpt #: 9
total cpu time spent up to now is 9.4 secs
Computing kpt #: 10
total cpu time spent up to now is 10.1 secs
Computing kpt #: 11
total cpu time spent up to now is 10.9 secs
Computing kpt #: 12
total cpu time spent up to now is 11.7 secs
Computing kpt #: 13
total cpu time spent up to now is 12.4 secs
Computing kpt #: 14
total cpu time spent up to now is 13.2 secs
Computing kpt #: 15
total cpu time spent up to now is 14.0 secs
Computing kpt #: 16
total cpu time spent up to now is 14.7 secs
Computing kpt #: 17
total cpu time spent up to now is 15.5 secs
Computing kpt #: 18
total cpu time spent up to now is 16.3 secs
Computing kpt #: 19
total cpu time spent up to now is 17.1 secs
Computing kpt #: 20
total cpu time spent up to now is 17.8 secs
Computing kpt #: 21
total cpu time spent up to now is 18.6 secs
Computing kpt #: 22
total cpu time spent up to now is 19.5 secs
Computing kpt #: 23
total cpu time spent up to now is 20.3 secs
Computing kpt #: 24
total cpu time spent up to now is 21.1 secs
Computing kpt #: 25
total cpu time spent up to now is 22.1 secs
Computing kpt #: 26
total cpu time spent up to now is 23.1 secs
Computing kpt #: 27
total cpu time spent up to now is 24.1 secs
Computing kpt #: 28
total cpu time spent up to now is 25.1 secs
Computing kpt #: 29
total cpu time spent up to now is 26.1 secs
Computing kpt #: 30
total cpu time spent up to now is 27.0 secs
Computing kpt #: 31
total cpu time spent up to now is 28.0 secs
Computing kpt #: 32
total cpu time spent up to now is 28.9 secs
Computing kpt #: 33
total cpu time spent up to now is 29.7 secs
Computing kpt #: 34
total cpu time spent up to now is 30.6 secs
Computing kpt #: 35
total cpu time spent up to now is 31.5 secs
Computing kpt #: 36
total cpu time spent up to now is 32.3 secs
Computing kpt #: 37
total cpu time spent up to now is 33.2 secs
Computing kpt #: 38
total cpu time spent up to now is 34.1 secs
Computing kpt #: 39
total cpu time spent up to now is 34.9 secs
Computing kpt #: 40
total cpu time spent up to now is 35.8 secs
Computing kpt #: 41
total cpu time spent up to now is 36.6 secs
Computing kpt #: 42
total cpu time spent up to now is 37.4 secs
Computing kpt #: 43
total cpu time spent up to now is 38.3 secs
Computing kpt #: 44
total cpu time spent up to now is 39.1 secs
Computing kpt #: 45
total cpu time spent up to now is 39.9 secs
Computing kpt #: 46
total cpu time spent up to now is 40.7 secs
Computing kpt #: 47
total cpu time spent up to now is 41.5 secs
Computing kpt #: 48
total cpu time spent up to now is 42.3 secs
Computing kpt #: 49
total cpu time spent up to now is 43.1 secs
Computing kpt #: 50
total cpu time spent up to now is 43.9 secs
Computing kpt #: 51
total cpu time spent up to now is 44.7 secs
Computing kpt #: 52
total cpu time spent up to now is 45.5 secs
Computing kpt #: 53
total cpu time spent up to now is 46.3 secs
Computing kpt #: 54
total cpu time spent up to now is 47.2 secs
Computing kpt #: 55
total cpu time spent up to now is 48.0 secs
Computing kpt #: 56
total cpu time spent up to now is 48.8 secs
Computing kpt #: 57
total cpu time spent up to now is 49.6 secs
Computing kpt #: 58
total cpu time spent up to now is 50.4 secs
Computing kpt #: 59
total cpu time spent up to now is 51.2 secs
Computing kpt #: 60
total cpu time spent up to now is 52.0 secs
Computing kpt #: 61
total cpu time spent up to now is 52.8 secs
Computing kpt #: 62
total cpu time spent up to now is 53.6 secs
Computing kpt #: 63
total cpu time spent up to now is 54.4 secs
Computing kpt #: 64
total cpu time spent up to now is 55.2 secs
Computing kpt #: 65
total cpu time spent up to now is 56.0 secs
Computing kpt #: 66
total cpu time spent up to now is 56.8 secs
Computing kpt #: 67
total cpu time spent up to now is 57.6 secs
Computing kpt #: 68
total cpu time spent up to now is 58.5 secs
Computing kpt #: 69
total cpu time spent up to now is 59.3 secs
Computing kpt #: 70
total cpu time spent up to now is 60.1 secs
Computing kpt #: 71
total cpu time spent up to now is 61.0 secs
Computing kpt #: 72
total cpu time spent up to now is 61.8 secs
Computing kpt #: 73
total cpu time spent up to now is 62.6 secs
Computing kpt #: 74
total cpu time spent up to now is 63.5 secs
Computing kpt #: 75
total cpu time spent up to now is 64.3 secs
Computing kpt #: 76
total cpu time spent up to now is 65.2 secs
Computing kpt #: 77
total cpu time spent up to now is 66.2 secs
Computing kpt #: 78
total cpu time spent up to now is 67.2 secs
Computing kpt #: 79
total cpu time spent up to now is 68.2 secs
Computing kpt #: 80
total cpu time spent up to now is 69.2 secs
Computing kpt #: 81
total cpu time spent up to now is 70.2 secs
Computing kpt #: 82
total cpu time spent up to now is 71.2 secs
Computing kpt #: 83
total cpu time spent up to now is 72.2 secs
Computing kpt #: 84
total cpu time spent up to now is 73.2 secs
Computing kpt #: 85
total cpu time spent up to now is 74.2 secs
Computing kpt #: 86
total cpu time spent up to now is 75.0 secs
Computing kpt #: 87
total cpu time spent up to now is 75.8 secs
Computing kpt #: 88
total cpu time spent up to now is 76.7 secs
Computing kpt #: 89
total cpu time spent up to now is 77.5 secs
Computing kpt #: 90
total cpu time spent up to now is 78.4 secs
Computing kpt #: 91
total cpu time spent up to now is 79.2 secs
Computing kpt #: 92
total cpu time spent up to now is 80.0 secs
Computing kpt #: 93
total cpu time spent up to now is 80.9 secs
Computing kpt #: 94
total cpu time spent up to now is 81.7 secs
Computing kpt #: 95
total cpu time spent up to now is 82.6 secs
Computing kpt #: 96
total cpu time spent up to now is 83.4 secs
Computing kpt #: 97
total cpu time spent up to now is 84.3 secs
Computing kpt #: 98
total cpu time spent up to now is 85.1 secs
Computing kpt #: 99
total cpu time spent up to now is 85.9 secs
Computing kpt #: 100
total cpu time spent up to now is 86.8 secs
Computing kpt #: 101
total cpu time spent up to now is 87.6 secs
Computing kpt #: 102
total cpu time spent up to now is 88.5 secs
Computing kpt #: 103
total cpu time spent up to now is 89.3 secs
Computing kpt #: 104
total cpu time spent up to now is 90.1 secs
Computing kpt #: 105
total cpu time spent up to now is 90.9 secs
Computing kpt #: 106
total cpu time spent up to now is 91.8 secs
Computing kpt #: 107
total cpu time spent up to now is 92.6 secs
Computing kpt #: 108
total cpu time spent up to now is 93.4 secs
Computing kpt #: 109
total cpu time spent up to now is 94.2 secs
Computing kpt #: 110
total cpu time spent up to now is 95.0 secs
Computing kpt #: 111
total cpu time spent up to now is 95.8 secs
Computing kpt #: 112
total cpu time spent up to now is 96.7 secs
Computing kpt #: 113
total cpu time spent up to now is 97.5 secs
Computing kpt #: 114
total cpu time spent up to now is 98.3 secs
Computing kpt #: 115
total cpu time spent up to now is 99.1 secs
Computing kpt #: 116
total cpu time spent up to now is 99.9 secs
Computing kpt #: 117
total cpu time spent up to now is 100.8 secs
Computing kpt #: 118
total cpu time spent up to now is 101.6 secs
Computing kpt #: 119
total cpu time spent up to now is 102.4 secs
Computing kpt #: 120
total cpu time spent up to now is 103.3 secs
Computing kpt #: 121
total cpu time spent up to now is 104.1 secs
Computing kpt #: 122
total cpu time spent up to now is 104.9 secs
Computing kpt #: 123
total cpu time spent up to now is 105.7 secs
Computing kpt #: 124
total cpu time spent up to now is 106.5 secs
Computing kpt #: 125
total cpu time spent up to now is 107.3 secs
Computing kpt #: 126
total cpu time spent up to now is 108.1 secs
Computing kpt #: 127
total cpu time spent up to now is 108.9 secs
Computing kpt #: 128
total cpu time spent up to now is 109.6 secs
Computing kpt #: 129
total cpu time spent up to now is 110.4 secs
Computing kpt #: 130
total cpu time spent up to now is 111.2 secs
Computing kpt #: 131
total cpu time spent up to now is 112.0 secs
Computing kpt #: 132
total cpu time spent up to now is 112.8 secs
Computing kpt #: 133
total cpu time spent up to now is 113.6 secs
Computing kpt #: 134
total cpu time spent up to now is 114.3 secs
Computing kpt #: 135
total cpu time spent up to now is 115.1 secs
Computing kpt #: 136
total cpu time spent up to now is 115.9 secs
Computing kpt #: 137
total cpu time spent up to now is 116.7 secs
Computing kpt #: 138
total cpu time spent up to now is 117.5 secs
Computing kpt #: 139
total cpu time spent up to now is 118.3 secs
Computing kpt #: 140
total cpu time spent up to now is 119.1 secs
Computing kpt #: 141
total cpu time spent up to now is 119.9 secs
Computing kpt #: 142
total cpu time spent up to now is 120.7 secs
Computing kpt #: 143
total cpu time spent up to now is 121.5 secs
Computing kpt #: 144
total cpu time spent up to now is 122.3 secs
Computing kpt #: 145
total cpu time spent up to now is 123.0 secs
Computing kpt #: 146
total cpu time spent up to now is 123.8 secs
Computing kpt #: 147
total cpu time spent up to now is 124.6 secs
Computing kpt #: 148
total cpu time spent up to now is 125.4 secs
Computing kpt #: 149
total cpu time spent up to now is 126.2 secs
Computing kpt #: 150
total cpu time spent up to now is 126.9 secs
Computing kpt #: 151
total cpu time spent up to now is 127.7 secs
Computing kpt #: 152
total cpu time spent up to now is 128.5 secs
Computing kpt #: 153
total cpu time spent up to now is 129.2 secs
Computing kpt #: 154
total cpu time spent up to now is 130.0 secs
Computing kpt #: 155
total cpu time spent up to now is 130.7 secs
Computing kpt #: 156
total cpu time spent up to now is 131.5 secs
Computing kpt #: 157
total cpu time spent up to now is 132.2 secs
Computing kpt #: 158
total cpu time spent up to now is 133.0 secs
Computing kpt #: 159
total cpu time spent up to now is 133.8 secs
Computing kpt #: 160
total cpu time spent up to now is 134.6 secs
Computing kpt #: 161
total cpu time spent up to now is 135.3 secs
Computing kpt #: 162
total cpu time spent up to now is 136.1 secs
Computing kpt #: 163
total cpu time spent up to now is 136.9 secs
Computing kpt #: 164
total cpu time spent up to now is 137.6 secs
Computing kpt #: 165
total cpu time spent up to now is 138.4 secs
Computing kpt #: 166
total cpu time spent up to now is 139.2 secs
Computing kpt #: 167
total cpu time spent up to now is 139.9 secs
Computing kpt #: 168
total cpu time spent up to now is 140.7 secs
Computing kpt #: 169
total cpu time spent up to now is 141.5 secs
Computing kpt #: 170
total cpu time spent up to now is 142.2 secs
Computing kpt #: 171
total cpu time spent up to now is 143.0 secs
Computing kpt #: 172
total cpu time spent up to now is 143.8 secs
Computing kpt #: 173
total cpu time spent up to now is 144.5 secs
Computing kpt #: 174
total cpu time spent up to now is 145.3 secs
Computing kpt #: 175
total cpu time spent up to now is 146.1 secs
Computing kpt #: 176
total cpu time spent up to now is 146.8 secs
Computing kpt #: 177
total cpu time spent up to now is 147.6 secs
Computing kpt #: 178
total cpu time spent up to now is 148.4 secs
Computing kpt #: 179
total cpu time spent up to now is 149.2 secs
Computing kpt #: 180
total cpu time spent up to now is 150.0 secs
Computing kpt #: 181
total cpu time spent up to now is 150.8 secs
Computing kpt #: 182
total cpu time spent up to now is 151.6 secs
Computing kpt #: 183
total cpu time spent up to now is 152.4 secs
Computing kpt #: 184
total cpu time spent up to now is 153.2 secs
Computing kpt #: 185
total cpu time spent up to now is 154.3 secs
Computing kpt #: 186
total cpu time spent up to now is 155.5 secs
Computing kpt #: 187
total cpu time spent up to now is 156.3 secs
Computing kpt #: 188
total cpu time spent up to now is 157.2 secs
Computing kpt #: 189
total cpu time spent up to now is 158.0 secs
Computing kpt #: 190
total cpu time spent up to now is 158.9 secs
Computing kpt #: 191
total cpu time spent up to now is 159.8 secs
Computing kpt #: 192
total cpu time spent up to now is 160.8 secs
Computing kpt #: 193
total cpu time spent up to now is 161.8 secs
Computing kpt #: 194
total cpu time spent up to now is 162.8 secs
Computing kpt #: 195
total cpu time spent up to now is 163.8 secs
Computing kpt #: 196
total cpu time spent up to now is 164.8 secs
Computing kpt #: 197
total cpu time spent up to now is 165.8 secs
Computing kpt #: 198
total cpu time spent up to now is 166.8 secs
Computing kpt #: 199
total cpu time spent up to now is 167.7 secs
Computing kpt #: 200
total cpu time spent up to now is 168.5 secs
Computing kpt #: 201
total cpu time spent up to now is 169.4 secs
Computing kpt #: 202
total cpu time spent up to now is 170.3 secs
Computing kpt #: 203
total cpu time spent up to now is 171.1 secs
Computing kpt #: 204
total cpu time spent up to now is 172.1 secs
Computing kpt #: 205
total cpu time spent up to now is 173.0 secs
Computing kpt #: 206
total cpu time spent up to now is 174.0 secs
Computing kpt #: 207
total cpu time spent up to now is 174.8 secs
Computing kpt #: 208
total cpu time spent up to now is 175.6 secs
Computing kpt #: 209
total cpu time spent up to now is 176.5 secs
Computing kpt #: 210
total cpu time spent up to now is 177.3 secs
Computing kpt #: 211
total cpu time spent up to now is 178.1 secs
Computing kpt #: 212
total cpu time spent up to now is 179.1 secs
Computing kpt #: 213
total cpu time spent up to now is 180.0 secs
Computing kpt #: 214
total cpu time spent up to now is 180.8 secs
Computing kpt #: 215
total cpu time spent up to now is 181.6 secs
Computing kpt #: 216
total cpu time spent up to now is 182.4 secs
Computing kpt #: 217
total cpu time spent up to now is 183.4 secs
Computing kpt #: 218
total cpu time spent up to now is 184.4 secs
Computing kpt #: 219
total cpu time spent up to now is 185.4 secs
Computing kpt #: 220
total cpu time spent up to now is 186.2 secs
Computing kpt #: 221
total cpu time spent up to now is 187.1 secs
Computing kpt #: 222
total cpu time spent up to now is 187.9 secs
Computing kpt #: 223
total cpu time spent up to now is 188.9 secs
Computing kpt #: 224
total cpu time spent up to now is 189.7 secs
Computing kpt #: 225
total cpu time spent up to now is 190.6 secs
Computing kpt #: 226
total cpu time spent up to now is 191.4 secs
Computing kpt #: 227
total cpu time spent up to now is 192.2 secs
Computing kpt #: 228
total cpu time spent up to now is 193.0 secs
Computing kpt #: 229
total cpu time spent up to now is 193.8 secs
Computing kpt #: 230
total cpu time spent up to now is 194.7 secs
Computing kpt #: 231
total cpu time spent up to now is 195.5 secs
Computing kpt #: 232
total cpu time spent up to now is 196.3 secs
Computing kpt #: 233
total cpu time spent up to now is 197.1 secs
Computing kpt #: 234
total cpu time spent up to now is 197.9 secs
Computing kpt #: 235
total cpu time spent up to now is 198.8 secs
Computing kpt #: 236
total cpu time spent up to now is 199.6 secs
Computing kpt #: 237
total cpu time spent up to now is 200.4 secs
Computing kpt #: 238
total cpu time spent up to now is 201.2 secs
Computing kpt #: 239
total cpu time spent up to now is 202.0 secs
Computing kpt #: 240
total cpu time spent up to now is 202.9 secs
Computing kpt #: 241
total cpu time spent up to now is 203.7 secs
Computing kpt #: 242
total cpu time spent up to now is 204.5 secs
Computing kpt #: 243
total cpu time spent up to now is 205.3 secs
Computing kpt #: 244
total cpu time spent up to now is 206.2 secs
Computing kpt #: 245
total cpu time spent up to now is 207.0 secs
Computing kpt #: 246
total cpu time spent up to now is 207.8 secs
Computing kpt #: 247
total cpu time spent up to now is 208.7 secs
Computing kpt #: 248
total cpu time spent up to now is 209.5 secs
Computing kpt #: 249
total cpu time spent up to now is 210.3 secs
Computing kpt #: 250
total cpu time spent up to now is 211.2 secs
Computing kpt #: 251
total cpu time spent up to now is 212.0 secs
Computing kpt #: 252
total cpu time spent up to now is 212.8 secs
Computing kpt #: 253
total cpu time spent up to now is 213.7 secs
Computing kpt #: 254
total cpu time spent up to now is 214.5 secs
Computing kpt #: 255
total cpu time spent up to now is 215.4 secs
Computing kpt #: 256
total cpu time spent up to now is 216.3 secs
Computing kpt #: 257
total cpu time spent up to now is 217.1 secs
Computing kpt #: 258
total cpu time spent up to now is 217.9 secs
Computing kpt #: 259
total cpu time spent up to now is 218.8 secs
Computing kpt #: 260
total cpu time spent up to now is 219.7 secs
Computing kpt #: 261
total cpu time spent up to now is 220.5 secs
Computing kpt #: 262
total cpu time spent up to now is 221.4 secs
Computing kpt #: 263
total cpu time spent up to now is 222.2 secs
Computing kpt #: 264
total cpu time spent up to now is 223.0 secs
Computing kpt #: 265
total cpu time spent up to now is 223.9 secs
Computing kpt #: 266
total cpu time spent up to now is 224.7 secs
Computing kpt #: 267
total cpu time spent up to now is 225.5 secs
Computing kpt #: 268
total cpu time spent up to now is 226.4 secs
Computing kpt #: 269
total cpu time spent up to now is 227.3 secs
Computing kpt #: 270
total cpu time spent up to now is 228.1 secs
Computing kpt #: 271
total cpu time spent up to now is 229.0 secs
Computing kpt #: 272
total cpu time spent up to now is 229.9 secs
Computing kpt #: 273
total cpu time spent up to now is 230.7 secs
Computing kpt #: 274
total cpu time spent up to now is 231.6 secs
Computing kpt #: 275
total cpu time spent up to now is 232.5 secs
Computing kpt #: 276
total cpu time spent up to now is 233.3 secs
Computing kpt #: 277
total cpu time spent up to now is 234.2 secs
Computing kpt #: 278
total cpu time spent up to now is 235.0 secs
Computing kpt #: 279
total cpu time spent up to now is 235.8 secs
Computing kpt #: 280
total cpu time spent up to now is 236.6 secs
Computing kpt #: 281
total cpu time spent up to now is 237.5 secs
Computing kpt #: 282
total cpu time spent up to now is 238.3 secs
Computing kpt #: 283
total cpu time spent up to now is 239.1 secs
Computing kpt #: 284
total cpu time spent up to now is 239.9 secs
Computing kpt #: 285
total cpu time spent up to now is 240.7 secs
Computing kpt #: 286
total cpu time spent up to now is 241.4 secs
Computing kpt #: 287
total cpu time spent up to now is 242.2 secs
Computing kpt #: 288
total cpu time spent up to now is 243.0 secs
Computing kpt #: 289
total cpu time spent up to now is 243.8 secs
Computing kpt #: 290
total cpu time spent up to now is 244.6 secs
Computing kpt #: 291
total cpu time spent up to now is 245.4 secs
Computing kpt #: 292
total cpu time spent up to now is 246.2 secs
Computing kpt #: 293
total cpu time spent up to now is 247.0 secs
Computing kpt #: 294
total cpu time spent up to now is 247.8 secs
Computing kpt #: 295
total cpu time spent up to now is 248.6 secs
Computing kpt #: 296
total cpu time spent up to now is 249.4 secs
Computing kpt #: 297
total cpu time spent up to now is 250.3 secs
Computing kpt #: 298
total cpu time spent up to now is 251.1 secs
Computing kpt #: 299
total cpu time spent up to now is 251.9 secs
Computing kpt #: 300
total cpu time spent up to now is 252.8 secs
Computing kpt #: 301
total cpu time spent up to now is 253.6 secs
Computing kpt #: 302
total cpu time spent up to now is 254.4 secs
Computing kpt #: 303
total cpu time spent up to now is 255.3 secs
Computing kpt #: 304
total cpu time spent up to now is 256.1 secs
Computing kpt #: 305
total cpu time spent up to now is 257.0 secs
Computing kpt #: 306
total cpu time spent up to now is 257.8 secs
Computing kpt #: 307
total cpu time spent up to now is 258.6 secs
ethr = 2.94E-08, avg # of iterations = 18.2
total cpu time spent up to now is 258.6 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 5921 PWs) bands (ev):
-45.3332 -45.3332 -17.3770 -17.3770 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6927 -7.6927 -7.0099 -7.0099 -5.9582 -5.9582 1.0316 1.0316
5.1333 5.1333 5.5344 5.5344 5.5453 5.5453 5.6362 5.6362
5.7922 5.7922 7.0038 7.0038 9.2169 9.2169 11.1597 11.1597
11.4762 11.4762
k = 0.0106-0.0174-0.0106 ( 5937 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5558 -8.5558 -7.7616 -7.7616 -7.7041 -7.7041
-7.6927 -7.6927 -7.0090 -7.0090 -5.9572 -5.9572 1.0322 1.0322
5.1296 5.1296 5.5216 5.5216 5.5403 5.5403 5.6368 5.6368
5.7897 5.7897 7.0173 7.0173 9.2246 9.2246 11.1554 11.1554
11.4698 11.4698
k = 0.0213-0.0348-0.0212 ( 5942 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1964 -17.1964
-8.5802 -8.5802 -8.5559 -8.5559 -7.7619 -7.7619 -7.7047 -7.7047
-7.6925 -7.6925 -7.0066 -7.0066 -5.9541 -5.9541 1.0341 1.0341
5.1179 5.1179 5.4855 5.4855 5.5267 5.5267 5.6367 5.6367
5.7823 5.7823 7.0564 7.0564 9.2475 9.2475 11.1408 11.1408
11.4546 11.4546
k = 0.0319-0.0522-0.0317 ( 5937 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1964 -17.1964
-8.5805 -8.5805 -8.5562 -8.5562 -7.7624 -7.7624 -7.7055 -7.7055
-7.6923 -7.6923 -7.0024 -7.0024 -5.9490 -5.9490 1.0371 1.0371
5.0963 5.0963 5.4323 5.4323 5.5076 5.5076 5.6309 5.6309
5.7721 5.7721 7.1173 7.1173 9.2847 9.2847 11.1125 11.1125
11.4392 11.4392
k = 0.0426-0.0696-0.0423 ( 5932 PWs) bands (ev):
-45.3332 -45.3332 -17.3772 -17.3772 -17.2009 -17.2009 -17.1965 -17.1965
-8.5808 -8.5808 -8.5566 -8.5566 -7.7631 -7.7631 -7.7067 -7.7067
-7.6920 -7.6920 -6.9966 -6.9966 -5.9419 -5.9419 1.0414 1.0414
5.0616 5.0616 5.3703 5.3703 5.4854 5.4854 5.6135 5.6135
5.7632 5.7632 7.1955 7.1955 9.3349 9.3349 11.0677 11.0677
11.4321 11.4321
k = 0.0532-0.0870-0.0529 ( 5935 PWs) bands (ev):
-45.3332 -45.3332 -17.3772 -17.3772 -17.2009 -17.2009 -17.1966 -17.1966
-8.5813 -8.5813 -8.5571 -8.5571 -7.7641 -7.7641 -7.7081 -7.7081
-7.6916 -7.6916 -6.9892 -6.9892 -5.9329 -5.9329 1.0467 1.0467
5.0098 5.0098 5.3077 5.3077 5.4612 5.4612 5.5816 5.5816
5.7589 5.7589 7.2866 7.2866 9.3964 9.3964 11.0080 11.0080
11.4370 11.4370
k = 0.0638-0.1044-0.0635 ( 5934 PWs) bands (ev):
-45.3332 -45.3332 -17.3773 -17.3773 -17.2009 -17.2009 -17.1967 -17.1967
-8.5819 -8.5819 -8.5576 -8.5576 -7.7654 -7.7654 -7.7096 -7.7096
-7.6912 -7.6912 -6.9801 -6.9801 -5.9220 -5.9220 1.0531 1.0531
4.9386 4.9386 5.2498 5.2498 5.4348 5.4348 5.5379 5.5379
5.7587 5.7587 7.3867 7.3867 9.4669 9.4669 10.9384 10.9384
11.4533 11.4533
k = 0.0745-0.1218-0.0741 ( 5935 PWs) bands (ev):
-45.3332 -45.3332 -17.3774 -17.3774 -17.2010 -17.2010 -17.1969 -17.1969
-8.5826 -8.5826 -8.5581 -8.5581 -7.7670 -7.7670 -7.7113 -7.7113
-7.6906 -7.6906 -6.9693 -6.9693 -5.9093 -5.9093 1.0605 1.0605
4.8497 4.8497 5.1967 5.1967 5.4042 5.4042 5.4891 5.4891
5.7606 5.7606 7.4928 7.4928 9.5438 9.5438 10.8645 10.8645
11.4790 11.4790
k = 0.0851-0.1392-0.0846 ( 5935 PWs) bands (ev):
-45.3332 -45.3332 -17.3774 -17.3774 -17.2010 -17.2010 -17.1971 -17.1971
-8.5836 -8.5836 -8.5587 -8.5587 -7.7689 -7.7689 -7.7131 -7.7131
-7.6900 -7.6900 -6.9569 -6.9569 -5.8949 -5.8949 1.0687 1.0687
4.7479 4.7479 5.1447 5.1447 5.3632 5.3632 5.4458 5.4458
5.7629 5.7629 7.6024 7.6024 9.6235 9.6235 10.7919 10.7919
11.5122 11.5122
k = 0.0957-0.1566-0.0952 ( 5931 PWs) bands (ev):
-45.3332 -45.3332 -17.3775 -17.3775 -17.2010 -17.2010 -17.1972 -17.1972
-8.5848 -8.5848 -8.5592 -8.5592 -7.7713 -7.7713 -7.7148 -7.7148
-7.6892 -7.6892 -6.9427 -6.9427 -5.8789 -5.8789 1.0777 1.0777
4.6374 4.6374 5.0897 5.0897 5.3092 5.3092 5.4146 5.4146
5.7647 5.7647 7.7135 7.7135 9.7017 9.7017 10.7266 10.7266
11.5515 11.5515
k = 0.1064-0.1740-0.1058 ( 5935 PWs) bands (ev):
-45.3332 -45.3332 -17.3776 -17.3776 -17.2010 -17.2010 -17.1974 -17.1974
-8.5863 -8.5863 -8.5597 -8.5597 -7.7740 -7.7740 -7.7165 -7.7165
-7.6884 -7.6884 -6.9270 -6.9270 -5.8614 -5.8614 1.0872 1.0872
4.5218 4.5218 5.0283 5.0283 5.2484 5.2484 5.3921 5.3921
5.7655 5.7655 7.8243 7.8243 9.7722 9.7722 10.6754 10.6754
11.5959 11.5959
k = 0.1170-0.1914-0.1164 ( 5931 PWs) bands (ev):
-45.3332 -45.3332 -17.3777 -17.3777 -17.2011 -17.2011 -17.1976 -17.1976
-8.5880 -8.5880 -8.5602 -8.5602 -7.7772 -7.7772 -7.7180 -7.7180
-7.6876 -7.6876 -6.9096 -6.9096 -5.8424 -5.8424 1.0972 1.0972
4.4033 4.4033 4.9589 4.9589 5.1873 5.1873 5.3743 5.3743
5.7650 5.7650 7.9334 7.9334 9.8275 9.8275 10.6462 10.6462
11.6445 11.6445
k = 0.1277-0.2089-0.1270 ( 5933 PWs) bands (ev):
-45.3332 -45.3332 -17.3779 -17.3779 -17.2011 -17.2011 -17.1978 -17.1978
-8.5901 -8.5901 -8.5605 -8.5605 -7.7808 -7.7808 -7.7193 -7.7193
-7.6866 -7.6866 -6.8905 -6.8905 -5.8222 -5.8222 1.1074 1.1074
4.2835 4.2835 4.8810 4.8810 5.1286 5.1286 5.3590 5.3590
5.7631 5.7631 8.0390 8.0390 9.8604 9.8604 10.6465 10.6465
11.6966 11.6966
k = 0.1383-0.2263-0.1375 ( 5931 PWs) bands (ev):
-45.3331 -45.3331 -17.3780 -17.3780 -17.2012 -17.2012 -17.1980 -17.1980
-8.5924 -8.5924 -8.5608 -8.5608 -7.7847 -7.7847 -7.7205 -7.7205
-7.6856 -7.6856 -6.8699 -6.8699 -5.8008 -5.8008 1.1176 1.1176
4.1638 4.1638 4.7961 4.7961 5.0728 5.0728 5.3452 5.3452
5.7599 5.7599 8.1395 8.1395 9.8686 9.8686 10.6794 10.6794
11.7515 11.7515
k = 0.1489-0.2437-0.1481 ( 5935 PWs) bands (ev):
-45.3331 -45.3331 -17.3782 -17.3782 -17.2013 -17.2013 -17.1983 -17.1983
-8.5950 -8.5950 -8.5610 -8.5610 -7.7890 -7.7890 -7.7215 -7.7215
-7.6845 -7.6845 -6.8477 -6.8477 -5.7783 -5.7783 1.1275 1.1275
4.0449 4.0449 4.7059 4.7059 5.0195 5.0195 5.3323 5.3323
5.7553 5.7553 8.2329 8.2329 9.8566 9.8566 10.7408 10.7408
11.8086 11.8086
k = 0.1596-0.2611-0.1587 ( 5939 PWs) bands (ev):
-45.3331 -45.3331 -17.3783 -17.3783 -17.2014 -17.2014 -17.1985 -17.1985
-8.5978 -8.5978 -8.5611 -8.5611 -7.7935 -7.7935 -7.7223 -7.7223
-7.6834 -7.6834 -6.8240 -6.8240 -5.7549 -5.7549 1.1368 1.1368
3.9277 3.9277 4.6122 4.6122 4.9678 4.9678 5.3198 5.3198
5.7493 5.7493 8.3170 8.3170 9.8332 9.8332 10.8225 10.8225
11.8671 11.8671
k = 0.1702-0.2785-0.1693 ( 5934 PWs) bands (ev):
-45.3331 -45.3331 -17.3785 -17.3785 -17.2015 -17.2015 -17.1987 -17.1987
-8.6010 -8.6010 -8.5611 -8.5611 -7.7983 -7.7983 -7.7230 -7.7230
-7.6822 -7.6822 -6.7988 -6.7988 -5.7308 -5.7308 1.1452 1.1452
3.8129 3.8129 4.5166 4.5166 4.9174 4.9174 5.3075 5.3075
5.7421 5.7421 8.3895 8.3895 9.8073 9.8073 10.9167 10.9167
11.9265 11.9265
k = 0.1809-0.2959-0.1798 ( 5928 PWs) bands (ev):
-45.3331 -45.3331 -17.3786 -17.3786 -17.2017 -17.2017 -17.1988 -17.1988
-8.6043 -8.6043 -8.5611 -8.5611 -7.8032 -7.8032 -7.7235 -7.7235
-7.6809 -7.6809 -6.7721 -6.7721 -5.7059 -5.7059 1.1523 1.1523
3.7011 3.7011 4.4203 4.4203 4.8678 4.8678 5.2949 5.2949
5.7339 5.7339 8.4476 8.4476 9.7862 9.7862 11.0171 11.0171
11.9860 11.9860
k = 0.1915-0.3133-0.1904 ( 5937 PWs) bands (ev):
-45.3331 -45.3331 -17.3788 -17.3788 -17.2019 -17.2019 -17.1990 -17.1990
-8.6079 -8.6079 -8.5610 -8.5610 -7.8082 -7.8082 -7.7239 -7.7239
-7.6796 -7.6796 -6.7440 -6.7440 -5.6806 -5.6806 1.1577 1.1577
3.5929 3.5929 4.3243 4.3243 4.8190 4.8190 5.2821 5.2821
5.7245 5.7245 8.4892 8.4892 9.7748 9.7748 11.1188 11.1188
12.0450 12.0450
k = 0.2021-0.3307-0.2010 ( 5938 PWs) bands (ev):
-45.3331 -45.3331 -17.3790 -17.3790 -17.2021 -17.2021 -17.1992 -17.1992
-8.6117 -8.6117 -8.5608 -8.5608 -7.8133 -7.8133 -7.7242 -7.7242
-7.6783 -7.6783 -6.7147 -6.7147 -5.6548 -5.6548 1.1610 1.1610
3.4886 3.4886 4.2294 4.2294 4.7709 4.7709 5.2687 5.2687
5.7143 5.7143 8.5128 8.5128 9.7763 9.7763 11.2183 11.2183
12.1028 12.1028
k = 0.2128-0.3481-0.2116 ( 5944 PWs) bands (ev):
-45.3330 -45.3330 -17.3792 -17.3792 -17.2024 -17.2024 -17.1993 -17.1993
-8.6157 -8.6157 -8.5606 -8.5606 -7.8183 -7.8183 -7.7244 -7.7244
-7.6769 -7.6769 -6.6841 -6.6841 -5.6288 -5.6288 1.1617 1.1617
3.3888 3.3888 4.1365 4.1365 4.7236 4.7236 5.2547 5.2547
5.7032 5.7032 8.5185 8.5185 9.7914 9.7914 11.3128 11.3128
12.1586 12.1586
k = 0.2234-0.3655-0.2222 ( 5943 PWs) bands (ev):
-45.3330 -45.3330 -17.3794 -17.3794 -17.2026 -17.2026 -17.1994 -17.1994
-8.6198 -8.6198 -8.5604 -8.5604 -7.8233 -7.8233 -7.7245 -7.7245
-7.6755 -7.6755 -6.6523 -6.6523 -5.6027 -5.6027 1.1594 1.1594
3.2939 3.2939 4.0463 4.0463 4.6771 4.6771 5.2398 5.2398
5.6915 5.6915 8.5078 8.5078 9.8192 9.8192 11.4000 11.4000
12.2116 12.2116
k = 0.2340-0.3829-0.2327 ( 5941 PWs) bands (ev):
-45.3330 -45.3330 -17.3795 -17.3795 -17.2029 -17.2029 -17.1995 -17.1995
-8.6240 -8.6240 -8.5602 -8.5602 -7.8282 -7.8282 -7.7246 -7.7246
-7.6741 -7.6741 -6.6194 -6.6194 -5.5765 -5.5765 1.1536 1.1536
3.2040 3.2040 3.9595 3.9595 4.6314 4.6314 5.2241 5.2241
5.6792 5.6792 8.4833 8.4833 9.8570 9.8570 11.4781 11.4781
12.2606 12.2606
k = 0.2447-0.4003-0.2433 ( 5945 PWs) bands (ev):
-45.3330 -45.3330 -17.3797 -17.3797 -17.2033 -17.2033 -17.1995 -17.1995
-8.6284 -8.6284 -8.5600 -8.5600 -7.8330 -7.8330 -7.7246 -7.7246
-7.6726 -7.6726 -6.5856 -6.5856 -5.5506 -5.5506 1.1439 1.1439
3.1193 3.1193 3.8769 3.8769 4.5867 4.5867 5.2074 5.2074
5.6664 5.6664 8.4479 8.4479 9.9016 9.9016 11.5461 11.5461
12.3029 12.3029
k = 0.2553-0.4177-0.2539 ( 5943 PWs) bands (ev):
-45.3330 -45.3330 -17.3799 -17.3799 -17.2036 -17.2036 -17.1996 -17.1996
-8.6328 -8.6328 -8.5597 -8.5597 -7.8377 -7.8377 -7.7246 -7.7246
-7.6712 -7.6712 -6.5509 -6.5509 -5.5249 -5.5249 1.1301 1.1301
3.0399 3.0399 3.7993 3.7993 4.5431 4.5431 5.1895 5.1895
5.6532 5.6532 8.4045 8.4045 9.9499 9.9499 11.6040 11.6040
12.3248 12.3248
k = 0.2660-0.4351-0.2645 ( 5942 PWs) bands (ev):
-45.3330 -45.3330 -17.3801 -17.3801 -17.2039 -17.2039 -17.1996 -17.1996
-8.6373 -8.6373 -8.5594 -8.5594 -7.8422 -7.8422 -7.7246 -7.7246
-7.6697 -7.6697 -6.5155 -6.5155 -5.4996 -5.4996 1.1119 1.1119
2.9654 2.9654 3.7274 3.7274 4.5007 4.5007 5.1705 5.1705
5.6397 5.6397 8.3557 8.3557 9.9989 9.9989 11.6523 11.6523
12.2965 12.2965
k = 0.2766-0.4525-0.2751 ( 5940 PWs) bands (ev):
-45.3329 -45.3329 -17.3803 -17.3803 -17.2042 -17.2042 -17.1996 -17.1996
-8.6418 -8.6418 -8.5592 -8.5592 -7.8466 -7.8466 -7.7245 -7.7245
-7.6683 -7.6683 -6.4794 -6.4794 -5.4749 -5.4749 1.0893 1.0893
2.8955 2.8955 3.6622 3.6622 4.4595 4.4595 5.1503 5.1503
5.6261 5.6261 8.3033 8.3033 10.0461 10.0461 11.6918 11.6918
12.2479 12.2479
k = 0.2872-0.4699-0.2856 ( 5946 PWs) bands (ev):
-45.3329 -45.3329 -17.3805 -17.3805 -17.2046 -17.2046 -17.1997 -17.1997
-8.6463 -8.6463 -8.5589 -8.5589 -7.8507 -7.8507 -7.7244 -7.7244
-7.6669 -7.6669 -6.4428 -6.4428 -5.4508 -5.4508 1.0624 1.0624
2.8297 2.8297 3.6042 3.6042 4.4197 4.4197 5.1288 5.1288
5.6125 5.6125 8.2491 8.2491 10.0894 10.0894 11.7237 11.7237
12.1995 12.1995
k = 0.2979-0.4873-0.2962 ( 5942 PWs) bands (ev):
-45.3329 -45.3329 -17.3807 -17.3807 -17.2049 -17.2049 -17.1997 -17.1997
-8.6507 -8.6507 -8.5586 -8.5586 -7.8546 -7.8546 -7.7242 -7.7242
-7.6654 -7.6654 -6.4059 -6.4059 -5.4276 -5.4276 1.0315 1.0315
2.7673 2.7673 3.5542 3.5542 4.3814 4.3814 5.1059 5.1059
5.5988 5.5988 8.1941 8.1941 10.1273 10.1273 11.7484 11.7484
12.1568 12.1568
k = 0.3085-0.5047-0.3068 ( 5940 PWs) bands (ev):
-45.3329 -45.3329 -17.3808 -17.3808 -17.2052 -17.2052 -17.1997 -17.1997
-8.6551 -8.6551 -8.5584 -8.5584 -7.8584 -7.8584 -7.7241 -7.7241
-7.6640 -7.6640 -6.3688 -6.3688 -5.4053 -5.4053 0.9971 0.9971
2.7078 2.7078 3.5127 3.5127 4.3447 4.3447 5.0817 5.0817
5.5853 5.5853 8.1394 8.1394 10.1586 10.1586 11.7656 11.7656
12.1239 12.1239
k = 0.3191-0.5221-0.3174 ( 5945 PWs) bands (ev):
-45.3329 -45.3329 -17.3810 -17.3810 -17.2056 -17.2056 -17.1997 -17.1997
-8.6595 -8.6595 -8.5581 -8.5581 -7.8619 -7.8619 -7.7239 -7.7239
-7.6627 -7.6627 -6.3317 -6.3317 -5.3840 -5.3840 0.9596 0.9596
2.6506 2.6506 3.4798 3.4798 4.3096 4.3096 5.0561 5.0561
5.5720 5.5720 8.0856 8.0856 10.1828 10.1828 11.7739 11.7739
12.1045 12.1045
k = 0.3298-0.5395-0.3280 ( 5945 PWs) bands (ev):
-45.3329 -45.3329 -17.3812 -17.3812 -17.2059 -17.2059 -17.1997 -17.1997
-8.6637 -8.6637 -8.5578 -8.5578 -7.8652 -7.8652 -7.7237 -7.7237
-7.6613 -7.6613 -6.2947 -6.2947 -5.3639 -5.3639 0.9197 0.9197
2.5951 2.5951 3.4557 3.4557 4.2763 4.2763 5.0291 5.0291
5.5590 5.5590 8.0334 8.0334 10.1996 10.1996 11.7728 11.7728
12.1005 12.1005
k = 0.3404-0.5569-0.3385 ( 5944 PWs) bands (ev):
-45.3328 -45.3328 -17.3814 -17.3814 -17.2062 -17.2062 -17.1997 -17.1997
-8.6678 -8.6678 -8.5576 -8.5576 -7.8683 -7.8683 -7.7236 -7.7236
-7.6601 -7.6601 -6.2581 -6.2581 -5.3450 -5.3450 0.8782 0.8782
2.5413 2.5413 3.4399 3.4399 4.2448 4.2448 5.0008 5.0008
5.5464 5.5464 7.9831 7.9831 10.2091 10.2091 11.7636 11.7636
12.1113 12.1113
k = 0.3511-0.5743-0.3491 ( 5948 PWs) bands (ev):
-45.3328 -45.3328 -17.3816 -17.3816 -17.2065 -17.2065 -17.1997 -17.1997
-8.6718 -8.6718 -8.5574 -8.5574 -7.8711 -7.8711 -7.7234 -7.7234
-7.6588 -7.6588 -6.2221 -6.2221 -5.3274 -5.3274 0.8357 0.8357
2.4891 2.4891 3.4319 3.4319 4.2152 4.2152 4.9714 4.9714
5.5342 5.5342 7.9351 7.9351 10.2120 10.2120 11.7493 11.7493
12.1329 12.1329
k = 0.3617-0.5917-0.3597 ( 5947 PWs) bands (ev):
-45.3328 -45.3328 -17.3817 -17.3817 -17.2068 -17.2068 -17.1997 -17.1997
-8.6756 -8.6756 -8.5572 -8.5572 -7.8738 -7.8738 -7.7232 -7.7232
-7.6576 -7.6576 -6.1868 -6.1868 -5.3112 -5.3112 0.7930 0.7930
2.4386 2.4386 3.4310 3.4310 4.1877 4.1877 4.9408 4.9408
5.5226 5.5226 7.8896 7.8896 10.2092 10.2092 11.7333 11.7333
12.1604 12.1604
k = 0.3723-0.6092-0.3703 ( 5942 PWs) bands (ev):
-45.3328 -45.3328 -17.3818 -17.3818 -17.2071 -17.2071 -17.1997 -17.1997
-8.6792 -8.6792 -8.5570 -8.5570 -7.8762 -7.8762 -7.7230 -7.7230
-7.6565 -7.6565 -6.1526 -6.1526 -5.2965 -5.2965 0.7508 0.7508
2.3901 2.3901 3.4363 3.4363 4.1623 4.1623 4.9093 4.9093
5.5116 5.5116 7.8470 7.8470 10.2015 10.2015 11.7178 11.7178
12.1884 12.1884
k = 0.3830-0.6266-0.3809 ( 5942 PWs) bands (ev):
-45.3328 -45.3328 -17.3820 -17.3820 -17.2073 -17.2073 -17.1997 -17.1997
-8.6826 -8.6826 -8.5568 -8.5568 -7.8784 -7.8784 -7.7228 -7.7228
-7.6555 -7.6555 -6.1196 -6.1196 -5.2832 -5.2832 0.7098 0.7098
2.3438 2.3438 3.4467 3.4467 4.1390 4.1390 4.8772 4.8772
5.5012 5.5012 7.8074 7.8074 10.1900 10.1900 11.7043 11.7043
12.2111 12.2111
k = 0.3936-0.6440-0.3914 ( 5944 PWs) bands (ev):
-45.3328 -45.3328 -17.3821 -17.3821 -17.2076 -17.2076 -17.1996 -17.1996
-8.6857 -8.6857 -8.5566 -8.5566 -7.8805 -7.8805 -7.7227 -7.7227
-7.6545 -7.6545 -6.0881 -6.0881 -5.2714 -5.2714 0.6704 0.6704
2.3002 2.3002 3.4613 3.4613 4.1180 4.1180 4.8446 4.8446
5.4916 5.4916 7.7709 7.7709 10.1760 10.1760 11.6936 11.6936
12.2236 12.2236
k = 0.4043-0.6614-0.4020 ( 5940 PWs) bands (ev):
-45.3328 -45.3328 -17.3822 -17.3822 -17.2078 -17.2078 -17.1996 -17.1996
-8.6886 -8.6886 -8.5565 -8.5565 -7.8823 -7.8823 -7.7225 -7.7225
-7.6536 -7.6536 -6.0585 -6.0585 -5.2610 -5.2610 0.6333 0.6333
2.2596 2.2596 3.4789 3.4789 4.0994 4.0994 4.8120 4.8120
5.4827 5.4827 7.7376 7.7376 10.1602 10.1602 11.6860 11.6860
12.2235 12.2235
k = 0.4149-0.6788-0.4126 ( 5930 PWs) bands (ev):
-45.3327 -45.3327 -17.3823 -17.3823 -17.2079 -17.2079 -17.1996 -17.1996
-8.6913 -8.6913 -8.5563 -8.5563 -7.8839 -7.8839 -7.7223 -7.7223
-7.6527 -7.6527 -6.0309 -6.0309 -5.2521 -5.2521 0.5990 0.5990
2.2223 2.2223 3.4986 3.4986 4.0831 4.0831 4.7798 4.7798
5.4747 5.4747 7.7077 7.7077 10.1438 10.1438 11.6814 11.6814
12.2118 12.2118
k = 0.4255-0.6962-0.4232 ( 5933 PWs) bands (ev):
-45.3327 -45.3327 -17.3824 -17.3824 -17.2081 -17.2081 -17.1996 -17.1996
-8.6936 -8.6936 -8.5562 -8.5562 -7.8853 -7.8853 -7.7222 -7.7222
-7.6520 -7.6520 -6.0056 -6.0056 -5.2445 -5.2445 0.5677 0.5677
2.1886 2.1886 3.5193 3.5193 4.0693 4.0693 4.7486 4.7486
5.4675 5.4675 7.6812 7.6812 10.1275 10.1275 11.6798 11.6798
12.1920 12.1920
k = 0.4362-0.7136-0.4337 ( 5939 PWs) bands (ev):
-45.3327 -45.3327 -17.3825 -17.3825 -17.2083 -17.2083 -17.1997 -17.1997
-8.6957 -8.6957 -8.5561 -8.5561 -7.8865 -7.8865 -7.7221 -7.7221
-7.6514 -7.6514 -5.9830 -5.9830 -5.2382 -5.2382 0.5400 0.5400
2.1589 2.1589 3.5398 3.5398 4.0579 4.0579 4.7190 4.7190
5.4612 5.4612 7.6581 7.6581 10.1120 10.1120 11.6806 11.6806
12.1677 12.1677
k = 0.4468-0.7310-0.4443 ( 5939 PWs) bands (ev):
-45.3327 -45.3327 -17.3826 -17.3826 -17.2084 -17.2084 -17.1996 -17.1996
-8.6975 -8.6975 -8.5560 -8.5560 -7.8875 -7.8875 -7.7220 -7.7220
-7.6508 -7.6508 -5.9633 -5.9633 -5.2332 -5.2332 0.5160 0.5160
2.1333 2.1333 3.5594 3.5594 4.0489 4.0489 4.6918 4.6918
5.4558 5.4558 7.6385 7.6385 10.0980 10.0980 11.6834 11.6834
12.1420 12.1420
k = 0.4574-0.7484-0.4549 ( 5940 PWs) bands (ev):
-45.3327 -45.3327 -17.3826 -17.3826 -17.2085 -17.2085 -17.1996 -17.1996
-8.6989 -8.6989 -8.5559 -8.5559 -7.8884 -7.8884 -7.7219 -7.7219
-7.6504 -7.6504 -5.9468 -5.9468 -5.2292 -5.2292 0.4960 0.4960
2.1121 2.1121 3.5768 3.5768 4.0421 4.0421 4.6678 4.6678
5.4514 5.4514 7.6225 7.6225 10.0858 10.0858 11.6876 11.6876
12.1175 12.1175
k = 0.4681-0.7658-0.4655 ( 5944 PWs) bands (ev):
-45.3327 -45.3327 -17.3827 -17.3827 -17.2086 -17.2086 -17.1996 -17.1996
-8.7001 -8.7001 -8.5559 -8.5559 -7.8890 -7.8890 -7.7218 -7.7218
-7.6500 -7.6500 -5.9337 -5.9337 -5.2262 -5.2262 0.4803 0.4803
2.0955 2.0955 3.5914 3.5914 4.0373 4.0373 4.6479 4.6479
5.4479 5.4479 7.6100 7.6100 10.0760 10.0760 11.6924 11.6924
12.0960 12.0960
k = 0.4787-0.7832-0.4761 ( 5945 PWs) bands (ev):
-45.3327 -45.3327 -17.3827 -17.3827 -17.2087 -17.2087 -17.1996 -17.1996
-8.7009 -8.7009 -8.5558 -8.5558 -7.8895 -7.8895 -7.7218 -7.7218
-7.6497 -7.6497 -5.9241 -5.9241 -5.2242 -5.2242 0.4690 0.4690
2.0835 2.0835 3.6023 3.6023 4.0343 4.0343 4.6329 4.6329
5.4454 5.4454 7.6011 7.6011 10.0688 10.0688 11.6967 11.6967
12.0793 12.0793
k = 0.4894-0.8006-0.4866 ( 5944 PWs) bands (ev):
-45.3327 -45.3327 -17.3827 -17.3827 -17.2087 -17.2087 -17.1996 -17.1996
-8.7014 -8.7014 -8.5558 -8.5558 -7.8897 -7.8897 -7.7217 -7.7217
-7.6496 -7.6496 -5.9183 -5.9183 -5.2230 -5.2230 0.4621 0.4621
2.0762 2.0762 3.6091 3.6091 4.0326 4.0326 4.6235 4.6235
5.4440 5.4440 7.5957 7.5957 10.0644 10.0644 11.6998 11.6998
12.0687 12.0687
k = 0.5000-0.8180-0.4972 ( 5944 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1996 -17.1996
-8.7016 -8.7016 -8.5558 -8.5558 -7.8898 -7.8898 -7.7217 -7.7217
-7.6495 -7.6495 -5.9164 -5.9164 -5.2226 -5.2226 0.4598 0.4598
2.0738 2.0738 3.6114 3.6114 4.0321 4.0321 4.6203 4.6203
5.4435 5.4435 7.5939 7.5939 10.0629 10.0629 11.7009 11.7009
12.0650 12.0650
k = 0.5000-0.8180-0.4972 ( 5944 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1996 -17.1996
-8.7016 -8.7016 -8.5558 -8.5558 -7.8898 -7.8898 -7.7217 -7.7217
-7.6495 -7.6495 -5.9164 -5.9164 -5.2226 -5.2226 0.4598 0.4598
2.0738 2.0738 3.6114 3.6114 4.0321 4.0321 4.6203 4.6203
5.4435 5.4435 7.5939 7.5939 10.0629 10.0629 11.7009 11.7009
12.0650 12.0650
k = 0.5000-0.8062-0.5167 ( 5944 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1996 -17.1996
-8.7014 -8.7014 -8.5559 -8.5559 -7.8898 -7.8898 -7.7220 -7.7220
-7.6496 -7.6496 -5.9153 -5.9153 -5.2227 -5.2227 0.4601 0.4601
2.0750 2.0750 3.6106 3.6106 4.0245 4.0245 4.6234 4.6234
5.4386 5.4386 7.6000 7.6000 10.0716 10.0716 11.7017 11.7017
12.0588 12.0588
k = 0.5000-0.7944-0.5361 ( 5946 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7010 -8.7010 -8.5563 -8.5563 -7.8895 -7.8895 -7.7228 -7.7228
-7.6498 -7.6498 -5.9122 -5.9122 -5.2231 -5.2231 0.4608 0.4608
2.0785 2.0785 3.6083 3.6083 4.0026 4.0026 4.6320 4.6320
5.4241 5.4241 7.6181 7.6181 10.0973 10.0973 11.7039 11.7039
12.0404 12.0404
k = 0.5000-0.7826-0.5555 ( 5940 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7003 -8.7003 -8.5570 -8.5570 -7.8891 -7.8891 -7.7241 -7.7241
-7.6501 -7.6501 -5.9069 -5.9069 -5.2237 -5.2237 0.4621 0.4621
2.0843 2.0843 3.6042 3.6042 3.9682 3.9682 4.6449 4.6449
5.4006 5.4006 7.6475 7.6475 10.1397 10.1397 11.7074 11.7074
12.0104 12.0104
k = 0.5000-0.7708-0.5749 ( 5942 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.6994 -8.6994 -8.5579 -8.5579 -7.8886 -7.8886 -7.7260 -7.7260
-7.6505 -7.6505 -5.8996 -5.8996 -5.2246 -5.2246 0.4637 0.4637
2.0925 2.0925 3.5977 3.5977 3.9240 3.9240 4.6606 4.6606
5.3689 5.3689 7.6874 7.6874 10.1979 10.1979 11.7120 11.7120
11.9702 11.9702
k = 0.5000-0.7590-0.5944 ( 5938 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1998 -17.1998
-8.6981 -8.6981 -8.5590 -8.5590 -7.8879 -7.8879 -7.7283 -7.7283
-7.6510 -7.6510 -5.8903 -5.8903 -5.2258 -5.2258 0.4658 0.4658
2.1029 2.1029 3.5879 3.5879 3.8728 3.8728 4.6778 4.6778
5.3301 5.3301 7.7363 7.7363 10.2708 10.2708 11.7170 11.7170
11.9218 11.9218
k = 0.5000-0.7472-0.6138 ( 5942 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1999 -17.1999
-8.6966 -8.6966 -8.5604 -8.5604 -7.8871 -7.8871 -7.7312 -7.7312
-7.6516 -7.6516 -5.8791 -5.8791 -5.2273 -5.2273 0.4682 0.4682
2.1157 2.1157 3.5733 3.5733 3.8181 3.8181 4.6955 4.6955
5.2858 5.2858 7.7928 7.7928 10.3571 10.3571 11.7212 11.7212
11.8688 11.8688
k = 0.5000-0.7353-0.6332 ( 5942 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2086 -17.2086 -17.2000 -17.2000
-8.6949 -8.6949 -8.5620 -8.5620 -7.8861 -7.8861 -7.7345 -7.7345
-7.6521 -7.6521 -5.8660 -5.8660 -5.2292 -5.2292 0.4709 0.4709
2.1307 2.1307 3.5515 3.5515 3.7636 3.7636 4.7129 4.7129
5.2373 5.2373 7.8552 7.8552 10.4555 10.4555 11.7209 11.7209
11.8170 11.8170
k = 0.5000-0.7235-0.6526 ( 5950 PWs) bands (ev):
-45.3327 -45.3327 -17.3829 -17.3829 -17.2086 -17.2086 -17.2001 -17.2001
-8.6929 -8.6929 -8.5639 -8.5639 -7.8849 -7.8849 -7.7383 -7.7383
-7.6527 -7.6527 -5.8512 -5.8512 -5.2314 -5.2314 0.4738 0.4738
2.1478 2.1478 3.5194 3.5194 3.7135 3.7135 4.7298 4.7298
5.1863 5.1863 7.9217 7.9217 10.5644 10.5644 11.7033 11.7033
11.7809 11.7809
k = 0.5000-0.7117-0.6721 ( 5950 PWs) bands (ev):
-45.3327 -45.3327 -17.3829 -17.3829 -17.2086 -17.2086 -17.2002 -17.2002
-8.6907 -8.6907 -8.5660 -8.5660 -7.8836 -7.8836 -7.7425 -7.7425
-7.6533 -7.6533 -5.8348 -5.8348 -5.2340 -5.2340 0.4768 0.4768
2.1672 2.1672 3.4749 3.4749 3.6709 3.6709 4.7456 4.7456
5.1345 5.1345 7.9902 7.9902 10.6821 10.6821 11.6604 11.6604
11.7703 11.7703
k = 0.5000-0.6999-0.6915 ( 5948 PWs) bands (ev):
-45.3327 -45.3327 -17.3829 -17.3829 -17.2086 -17.2086 -17.2003 -17.2003
-8.6883 -8.6883 -8.5683 -8.5683 -7.8821 -7.8821 -7.7471 -7.7471
-7.6538 -7.6538 -5.8169 -5.8169 -5.2370 -5.2370 0.4799 0.4799
2.1886 2.1886 3.4192 3.4192 3.6352 3.6352 4.7602 4.7602
5.0837 5.0837 8.0590 8.0590 10.8067 10.8067 11.6092 11.6092
11.7692 11.7692
k = 0.5000-0.6881-0.7109 ( 5952 PWs) bands (ev):
-45.3327 -45.3327 -17.3829 -17.3829 -17.2085 -17.2085 -17.2004 -17.2004
-8.6857 -8.6857 -8.5709 -8.5709 -7.8805 -7.8805 -7.7519 -7.7519
-7.6543 -7.6543 -5.7975 -5.7975 -5.2406 -5.2406 0.4828 0.4828
2.2121 2.2121 3.3560 3.3560 3.6033 3.6033 4.7730 4.7730
5.0359 5.0359 8.1261 8.1261 10.9360 10.9360 11.5604 11.5604
11.7681 11.7681
k = 0.5000-0.6763-0.7303 ( 5946 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2085 -17.2085 -17.2005 -17.2005
-8.6829 -8.6829 -8.5737 -8.5737 -7.8787 -7.8787 -7.7570 -7.7570
-7.6548 -7.6548 -5.7769 -5.7769 -5.2447 -5.2447 0.4856 0.4856
2.2376 2.2376 3.2892 3.2892 3.5720 3.5720 4.7835 4.7835
4.9929 4.9929 8.1897 8.1897 11.0668 11.0668 11.5187 11.5187
11.7630 11.7630
k = 0.5000-0.6645-0.7498 ( 5948 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2085 -17.2085 -17.2006 -17.2006
-8.6799 -8.6799 -8.5766 -8.5766 -7.8767 -7.8767 -7.7624 -7.7624
-7.6552 -7.6552 -5.7552 -5.7552 -5.2494 -5.2494 0.4881 0.4881
2.2648 2.2648 3.2213 3.2213 3.5391 3.5391 4.7904 4.7904
4.9572 4.9572 8.2480 8.2480 11.1926 11.1926 11.4902 11.4902
11.7516 11.7516
k = 0.5000-0.6527-0.7692 ( 5948 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2084 -17.2084 -17.2007 -17.2007
-8.6768 -8.6768 -8.5797 -8.5797 -7.8746 -7.8746 -7.7678 -7.7678
-7.6556 -7.6556 -5.7325 -5.7325 -5.2548 -5.2548 0.4902 0.4902
2.2938 2.2938 3.1543 3.1543 3.5034 3.5034 4.7922 4.7922
4.9312 4.9312 8.2997 8.2997 11.2957 11.2957 11.4908 11.4908
11.7325 11.7325
k = 0.5000-0.6409-0.7886 ( 5946 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2084 -17.2084 -17.2009 -17.2009
-8.6735 -8.6735 -8.5830 -8.5830 -7.8723 -7.8723 -7.7734 -7.7734
-7.6559 -7.6559 -5.7089 -5.7089 -5.2609 -5.2609 0.4917 0.4917
2.3243 2.3243 3.0895 3.0895 3.4643 3.4643 4.7881 4.7881
4.9165 4.9165 8.3436 8.3436 11.3430 11.3430 11.5471 11.5471
11.7086 11.7086
k = 0.5000-0.6291-0.8080 ( 5950 PWs) bands (ev):
-45.3327 -45.3327 -17.3831 -17.3831 -17.2084 -17.2084 -17.2010 -17.2010
-8.6701 -8.6701 -8.5865 -8.5865 -7.8699 -7.8699 -7.7790 -7.7790
-7.6562 -7.6562 -5.6847 -5.6847 -5.2678 -5.2678 0.4927 0.4927
2.3561 2.3561 3.0277 3.0277 3.4219 3.4219 4.7796 4.7796
4.9118 4.9118 8.3787 8.3787 11.3504 11.3504 11.6046 11.6046
11.7156 11.7156
k = 0.5000-0.6173-0.8275 ( 5954 PWs) bands (ev):
-45.3327 -45.3327 -17.3831 -17.3831 -17.2083 -17.2083 -17.2011 -17.2011
-8.6666 -8.6666 -8.5901 -8.5901 -7.8673 -7.8673 -7.7847 -7.7847
-7.6564 -7.6564 -5.6599 -5.6599 -5.2755 -5.2755 0.4929 0.4929
2.3890 2.3890 2.9699 2.9699 3.3766 3.3766 4.7702 4.7702
4.9138 4.9138 8.4046 8.4046 11.3493 11.3493 11.5779 11.5779
11.8051 11.8051
k = 0.5000-0.6055-0.8469 ( 5942 PWs) bands (ev):
-45.3327 -45.3327 -17.3831 -17.3831 -17.2083 -17.2083 -17.2012 -17.2012
-8.6630 -8.6630 -8.5938 -8.5938 -7.8646 -7.8646 -7.7903 -7.7903
-7.6566 -7.6566 -5.6347 -5.6347 -5.2842 -5.2842 0.4924 0.4924
2.4224 2.4224 2.9167 2.9167 3.3291 3.3291 4.7626 4.7626
4.9194 4.9194 8.4214 8.4214 11.3462 11.3462 11.5253 11.5253
11.9113 11.9113
k = 0.5000-0.5937-0.8663 ( 5948 PWs) bands (ev):
-45.3327 -45.3327 -17.3832 -17.3832 -17.2083 -17.2083 -17.2013 -17.2013
-8.6594 -8.6594 -8.5976 -8.5976 -7.8617 -7.8617 -7.7958 -7.7958
-7.6568 -7.6568 -5.6093 -5.6093 -5.2938 -5.2938 0.4911 0.4911
2.4558 2.4558 2.8684 2.8684 3.2807 3.2807 4.7583 4.7583
4.9267 4.9267 8.4294 8.4294 11.3327 11.3327 11.4767 11.4767
12.0123 12.0123
k = 0.5000-0.5818-0.8857 ( 5948 PWs) bands (ev):
-45.3327 -45.3327 -17.3832 -17.3832 -17.2083 -17.2083 -17.2014 -17.2014
-8.6557 -8.6557 -8.6014 -8.6014 -7.8587 -7.8587 -7.8012 -7.8012
-7.6569 -7.6569 -5.5839 -5.5839 -5.3045 -5.3045 0.4890 0.4890
2.4885 2.4885 2.8257 2.8257 3.2326 3.2326 4.7580 4.7580
4.9347 4.9347 8.4293 8.4293 11.2900 11.2900 11.4555 11.4555
12.1045 12.1045
k = 0.5000-0.5700-0.9052 ( 5952 PWs) bands (ev):
-45.3327 -45.3327 -17.3832 -17.3832 -17.2083 -17.2083 -17.2015 -17.2015
-8.6520 -8.6520 -8.6053 -8.6053 -7.8555 -7.8555 -7.8064 -7.8064
-7.6570 -7.6570 -5.5585 -5.5585 -5.3164 -5.3164 0.4863 0.4863
2.5192 2.5192 2.7886 2.7886 3.1869 3.1869 4.7614 4.7614
4.9426 4.9426 8.4219 8.4219 11.2193 11.2193 11.4623 11.4623
12.1876 12.1876
k = 0.5000-0.5582-0.9246 ( 5942 PWs) bands (ev):
-45.3327 -45.3327 -17.3832 -17.3832 -17.2082 -17.2082 -17.2015 -17.2015
-8.6483 -8.6483 -8.6092 -8.6092 -7.8522 -7.8522 -7.8115 -7.8115
-7.6570 -7.6570 -5.5334 -5.5334 -5.3294 -5.3294 0.4828 0.4828
2.5462 2.5462 2.7576 2.7576 3.1460 3.1460 4.7683 4.7683
4.9502 4.9502 8.4086 8.4086 11.1357 11.1357 11.4831 11.4831
12.2628 12.2628
k = 0.5000-0.5464-0.9440 ( 5944 PWs) bands (ev):
-45.3327 -45.3327 -17.3833 -17.3833 -17.2082 -17.2082 -17.2016 -17.2016
-8.6446 -8.6446 -8.6131 -8.6131 -7.8488 -7.8488 -7.8164 -7.8164
-7.6571 -7.6571 -5.5087 -5.5087 -5.3437 -5.3437 0.4789 0.4789
2.5674 2.5674 2.7326 2.7326 3.1126 3.1126 4.7783 4.7783
4.9572 4.9572 8.3904 8.3904 11.0469 11.0469 11.5105 11.5105
12.3316 12.3316
k = 0.5000-0.5346-0.9634 ( 5944 PWs) bands (ev):
-45.3327 -45.3327 -17.3833 -17.3833 -17.2082 -17.2082 -17.2016 -17.2016
-8.6409 -8.6409 -8.6169 -8.6169 -7.8453 -7.8453 -7.8211 -7.8211
-7.6571 -7.6571 -5.4846 -5.4846 -5.3593 -5.3593 0.4747 0.4747
2.5802 2.5802 2.7135 2.7135 3.0900 3.0900 4.7908 4.7908
4.9634 4.9634 8.3685 8.3685 10.9561 10.9561 11.5414 11.5414
12.3953 12.3953
k = 0.5000-0.5228-0.9829 ( 5948 PWs) bands (ev):
-45.3327 -45.3327 -17.3833 -17.3833 -17.2082 -17.2082 -17.2017 -17.2017
-8.6374 -8.6374 -8.6205 -8.6205 -7.8417 -7.8417 -7.8255 -7.8255
-7.6571 -7.6571 -5.4612 -5.4612 -5.3762 -5.3762 0.4703 0.4703
2.5828 2.5828 2.7002 2.7002 3.0810 3.0810 4.8054 4.8054
4.9686 4.9686 8.3442 8.3442 10.8654 10.8654 11.5740 11.5740
12.4548 12.4548
k = 0.5000-0.5110-1.0023 ( 5944 PWs) bands (ev):
-45.3327 -45.3327 -17.3833 -17.3833 -17.2082 -17.2082 -17.2017 -17.2017
-8.6343 -8.6343 -8.6237 -8.6237 -7.8380 -7.8380 -7.8298 -7.8298
-7.6571 -7.6571 -5.4387 -5.4387 -5.3946 -5.3946 0.4661 0.4661
2.5748 2.5748 2.6922 2.6922 3.0867 3.0867 4.8215 4.8215
4.9729 4.9729 8.3184 8.3184 10.7758 10.7758 11.6070 11.6070
12.5106 12.5106
k = 0.5000-0.4992-1.0217 ( 5936 PWs) bands (ev):
-45.3326 -45.3326 -17.3833 -17.3833 -17.2082 -17.2082 -17.2017 -17.2017
-8.6326 -8.6326 -8.6255 -8.6255 -7.8345 -7.8345 -7.8334 -7.8334
-7.6571 -7.6571 -5.4173 -5.4173 -5.4142 -5.4142 0.4624 0.4624
2.5573 2.5573 2.6896 2.6896 3.1062 3.1062 4.8385 4.8385
4.9761 4.9761 8.2922 8.2922 10.6883 10.6883 11.6394 11.6394
12.5627 12.5627
k = 0.5000-0.4874-1.0411 ( 5944 PWs) bands (ev):
-45.3327 -45.3327 -17.3833 -17.3833 -17.2082 -17.2082 -17.2017 -17.2017
-8.6340 -8.6340 -8.6241 -8.6241 -7.8375 -7.8375 -7.8303 -7.8303
-7.6571 -7.6571 -5.4357 -5.4357 -5.3968 -5.3968 0.4594 0.4594
2.5328 2.5328 2.6924 2.6924 3.1369 3.1369 4.8560 4.8560
4.9785 4.9785 8.2663 8.2663 10.6037 10.6037 11.6704 11.6704
12.6107 12.6107
k = 0.5000-0.4756-1.0606 ( 5948 PWs) bands (ev):
-45.3327 -45.3327 -17.3833 -17.3833 -17.2082 -17.2082 -17.2017 -17.2017
-8.6367 -8.6367 -8.6212 -8.6212 -7.8410 -7.8410 -7.8264 -7.8264
-7.6571 -7.6571 -5.4584 -5.4584 -5.3779 -5.3779 0.4575 0.4575
2.5043 2.5043 2.7006 2.7006 3.1763 3.1763 4.8731 4.8731
4.9801 4.9801 8.2417 8.2417 10.5226 10.5226 11.6996 11.6996
12.6538 12.6538
k = 0.5000-0.4638-1.0800 ( 5936 PWs) bands (ev):
-45.3327 -45.3327 -17.3833 -17.3833 -17.2082 -17.2082 -17.2016 -17.2016
-8.6397 -8.6397 -8.6180 -8.6180 -7.8442 -7.8442 -7.8224 -7.8224
-7.6571 -7.6571 -5.4827 -5.4827 -5.3603 -5.3603 0.4569 0.4569
2.4741 2.4741 2.7137 2.7137 3.2222 3.2222 4.8892 4.8892
4.9815 4.9815 8.2188 8.2188 10.4455 10.4455 11.7265 11.7265
12.6903 12.6903
k = 0.8153-0.3751-0.9089 ( 5936 PWs) bands (ev):
-45.3327 -45.3327 -17.3833 -17.3833 -17.2082 -17.2082 -17.2016 -17.2016
-8.6397 -8.6397 -8.6180 -8.6180 -7.8442 -7.8442 -7.8224 -7.8224
-7.6571 -7.6571 -5.4827 -5.4827 -5.3603 -5.3603 0.4569 0.4569
2.4741 2.4741 2.7137 2.7137 3.2222 3.2222 4.8892 4.8892
4.9815 4.9815 8.2188 8.2188 10.4455 10.4455 11.7265 11.7265
12.6903 12.6903
k = 0.8090-0.3647-0.8890 ( 5944 PWs) bands (ev):
-45.3327 -45.3327 -17.3833 -17.3833 -17.2082 -17.2082 -17.2016 -17.2016
-8.6427 -8.6427 -8.6147 -8.6147 -7.8472 -7.8472 -7.8183 -7.8183
-7.6572 -7.6572 -5.5090 -5.5090 -5.3440 -5.3440 0.4579 0.4579
2.4436 2.4436 2.7318 2.7318 3.2742 3.2742 4.9035 4.9035
4.9833 4.9833 8.1977 8.1977 10.3713 10.3713 11.7512 11.7512
12.7184 12.7184
k = 0.8026-0.3544-0.8691 ( 5946 PWs) bands (ev):
-45.3327 -45.3327 -17.3832 -17.3832 -17.2082 -17.2082 -17.2016 -17.2016
-8.6456 -8.6456 -8.6114 -8.6114 -7.8499 -7.8499 -7.8142 -7.8142
-7.6572 -7.6572 -5.5369 -5.5369 -5.3295 -5.3295 0.4609 0.4609
2.4149 2.4149 2.7545 2.7545 3.3300 3.3300 4.9143 4.9143
4.9865 4.9865 8.1795 8.1795 10.3022 10.3022 11.7730 11.7730
12.7333 12.7333
k = 0.7963-0.3441-0.8493 ( 5940 PWs) bands (ev):
-45.3327 -45.3327 -17.3832 -17.3832 -17.2081 -17.2081 -17.2015 -17.2015
-8.6482 -8.6482 -8.6082 -8.6082 -7.8524 -7.8524 -7.8101 -7.8101
-7.6573 -7.6573 -5.5664 -5.5664 -5.3169 -5.3169 0.4662 0.4662
2.3890 2.3890 2.7811 2.7811 3.3889 3.3889 4.9204 4.9204
4.9921 4.9921 8.1645 8.1645 10.2388 10.2388 11.7916 11.7916
12.7307 12.7307
k = 0.7900-0.3338-0.8294 ( 5942 PWs) bands (ev):
-45.3327 -45.3327 -17.3831 -17.3831 -17.2081 -17.2081 -17.2014 -17.2014
-8.6506 -8.6506 -8.6051 -8.6051 -7.8546 -7.8546 -7.8060 -7.8060
-7.6574 -7.6574 -5.5973 -5.5973 -5.3063 -5.3063 0.4740 0.4740
2.3667 2.3667 2.8114 2.8114 3.4500 3.4500 4.9219 4.9219
5.0000 5.0000 8.1528 8.1528 10.1813 10.1813 11.8071 11.8071
12.7088 12.7088
k = 0.7837-0.3235-0.8095 ( 5940 PWs) bands (ev):
-45.3327 -45.3327 -17.3831 -17.3831 -17.2080 -17.2080 -17.2014 -17.2014
-8.6527 -8.6527 -8.6021 -8.6021 -7.8565 -7.8565 -7.8019 -7.8019
-7.6575 -7.6575 -5.6296 -5.6296 -5.2978 -5.2978 0.4843 0.4843
2.3486 2.3486 2.8448 2.8448 3.5130 3.5130 4.9197 4.9197
5.0091 5.0091 8.1447 8.1447 10.1300 10.1300 11.8198 11.8198
12.6707 12.6707
k = 0.7774-0.3132-0.7896 ( 5940 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2080 -17.2080 -17.2013 -17.2013
-8.6545 -8.6545 -8.5992 -8.5992 -7.8581 -7.8581 -7.7979 -7.7979
-7.6577 -7.6577 -5.6633 -5.6633 -5.2914 -5.2914 0.4975 0.4975
2.3352 2.3352 2.8811 2.8811 3.5774 3.5774 4.9152 4.9152
5.0181 5.0181 8.1402 8.1402 10.0854 10.0854 11.8299 11.8299
12.6220 12.6220
k = 0.7711-0.3028-0.7697 ( 5938 PWs) bands (ev):
-45.3327 -45.3327 -17.3829 -17.3829 -17.2079 -17.2079 -17.2012 -17.2012
-8.6561 -8.6561 -8.5964 -8.5964 -7.8595 -7.8595 -7.7938 -7.7938
-7.6579 -7.6579 -5.6983 -5.6983 -5.2874 -5.2874 0.5135 0.5135
2.3267 2.3267 2.9198 2.9198 3.6429 3.6429 4.9094 4.9094
5.0260 5.0260 8.1393 8.1393 10.0475 10.0475 11.8379 11.8379
12.5680 12.5680
k = 0.7648-0.2925-0.7498 ( 5928 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2078 -17.2078 -17.2011 -17.2011
-8.6573 -8.6573 -8.5937 -8.5937 -7.8606 -7.8606 -7.7899 -7.7899
-7.6582 -7.6582 -5.7345 -5.7345 -5.2856 -5.2856 0.5325 0.5325
2.3234 2.3234 2.9606 2.9606 3.7091 3.7091 4.9031 4.9031
5.0324 5.0324 8.1420 8.1420 10.0166 10.0166 11.8442 11.8442
12.5117 12.5117
k = 0.7585-0.2822-0.7299 ( 5936 PWs) bands (ev):
-45.3327 -45.3327 -17.3827 -17.3827 -17.2077 -17.2077 -17.2011 -17.2011
-8.6582 -8.6582 -8.5912 -8.5912 -7.8614 -7.8614 -7.7860 -7.7860
-7.6585 -7.6585 -5.7717 -5.7717 -5.2861 -5.2861 0.5545 0.5545
2.3255 2.3255 3.0030 3.0030 3.7759 3.7759 4.8969 4.8969
5.0369 5.0369 8.1481 8.1481 9.9927 9.9927 11.8493 11.8493
12.4553 12.4553
k = 0.7522-0.2719-0.7100 ( 5934 PWs) bands (ev):
-45.3327 -45.3327 -17.3826 -17.3826 -17.2075 -17.2075 -17.2010 -17.2010
-8.6588 -8.6588 -8.5888 -8.5888 -7.8620 -7.8620 -7.7822 -7.7822
-7.6588 -7.6588 -5.8100 -5.8100 -5.2890 -5.2890 0.5794 0.5794
2.3331 2.3331 3.0467 3.0467 3.8429 3.8429 4.8913 4.8913
5.0393 5.0393 8.1574 8.1574 9.9759 9.9759 11.8539 11.8539
12.4001 12.4001
k = 0.7459-0.2616-0.6901 ( 5932 PWs) bands (ev):
-45.3327 -45.3327 -17.3825 -17.3825 -17.2074 -17.2074 -17.2009 -17.2009
-8.6590 -8.6590 -8.5865 -8.5865 -7.8623 -7.8623 -7.7785 -7.7785
-7.6592 -7.6592 -5.8491 -5.8491 -5.2941 -5.2941 0.6071 0.6071
2.3463 2.3463 3.0912 3.0912 3.9098 3.9098 4.8867 4.8867
5.0397 5.0397 8.1699 8.1699 9.9661 9.9661 11.8585 11.8585
12.3469 12.3469
k = 0.7396-0.2513-0.6703 ( 5934 PWs) bands (ev):
-45.3327 -45.3327 -17.3824 -17.3824 -17.2072 -17.2072 -17.2009 -17.2009
-8.6590 -8.6590 -8.5843 -8.5843 -7.8623 -7.8623 -7.7749 -7.7749
-7.6597 -7.6597 -5.8889 -5.8889 -5.3016 -5.3016 0.6376 0.6376
2.3651 2.3651 3.1364 3.1364 3.9763 3.9763 4.8836 4.8836
5.0381 5.0381 8.1852 8.1852 9.9634 9.9634 11.8636 11.8636
12.2962 12.2962
k = 0.7333-0.2410-0.6504 ( 5934 PWs) bands (ev):
-45.3327 -45.3327 -17.3823 -17.3823 -17.2070 -17.2070 -17.2008 -17.2008
-8.6586 -8.6586 -8.5822 -8.5822 -7.8621 -7.8621 -7.7714 -7.7714
-7.6602 -7.6602 -5.9294 -5.9294 -5.3113 -5.3113 0.6707 0.6707
2.3896 2.3896 3.1818 3.1818 4.0421 4.0421 4.8822 4.8822
5.0349 5.0349 8.2033 8.2033 9.9675 9.9675 11.8696 11.8696
12.2484 12.2484
k = 0.7270-0.2306-0.6305 ( 5936 PWs) bands (ev):
-45.3328 -45.3328 -17.3821 -17.3821 -17.2068 -17.2068 -17.2007 -17.2007
-8.6578 -8.6578 -8.5803 -8.5803 -7.8616 -7.8616 -7.7680 -7.7680
-7.6608 -7.6608 -5.9704 -5.9704 -5.3232 -5.3232 0.7063 0.7063
2.4196 2.4196 3.2272 3.2272 4.1068 4.1068 4.8828 4.8828
5.0306 5.0306 8.2238 8.2238 9.9782 9.9782 11.8767 11.8767
12.2039 12.2039
k = 0.7207-0.2203-0.6106 ( 5932 PWs) bands (ev):
-45.3328 -45.3328 -17.3820 -17.3820 -17.2066 -17.2066 -17.2007 -17.2007
-8.6568 -8.6568 -8.5785 -8.5785 -7.8608 -7.8608 -7.7647 -7.7647
-7.6614 -7.6614 -6.0117 -6.0117 -5.3372 -5.3372 0.7441 0.7441
2.4552 2.4552 3.2724 3.2724 4.1700 4.1700 4.8853 4.8853
5.0260 5.0260 8.2466 8.2466 9.9952 9.9952 11.8852 11.8852
12.1626 12.1626
k = 0.7144-0.2100-0.5907 ( 5932 PWs) bands (ev):
-45.3328 -45.3328 -17.3818 -17.3818 -17.2064 -17.2064 -17.2006 -17.2006
-8.6555 -8.6555 -8.5768 -8.5768 -7.8598 -7.8598 -7.7616 -7.7616
-7.6621 -7.6621 -6.0533 -6.0533 -5.3532 -5.3532 0.7840 0.7840
2.4962 2.4962 3.3172 3.3172 4.2310 4.2310 4.8896 4.8896
5.0220 5.0220 8.2714 8.2714 10.0181 10.0181 11.8946 11.8946
12.1245 12.1245
k = 0.7081-0.1997-0.5708 ( 5928 PWs) bands (ev):
-45.3328 -45.3328 -17.3817 -17.3817 -17.2061 -17.2061 -17.2005 -17.2005
-8.6538 -8.6538 -8.5752 -8.5752 -7.8584 -7.8584 -7.7586 -7.7586
-7.6629 -7.6629 -6.0950 -6.0950 -5.3711 -5.3711 0.8255 0.8255
2.5425 2.5425 3.3615 3.3615 4.2893 4.2893 4.8952 4.8952
5.0201 5.0201 8.2980 8.2980 10.0464 10.0464 11.9042 11.9042
12.0896 12.0896
k = 0.7018-0.1894-0.5509 ( 5942 PWs) bands (ev):
-45.3328 -45.3328 -17.3815 -17.3815 -17.2059 -17.2059 -17.2005 -17.2005
-8.6519 -8.6519 -8.5738 -8.5738 -7.8569 -7.8569 -7.7557 -7.7557
-7.6637 -7.6637 -6.1366 -6.1366 -5.3909 -5.3909 0.8685 0.8685
2.5939 2.5939 3.4054 3.4054 4.3439 4.3439 4.9013 4.9013
5.0221 5.0221 8.3263 8.3263 10.0798 10.0798 11.9118 11.9118
12.0579 12.0579
k = 0.6955-0.1791-0.5310 ( 5944 PWs) bands (ev):
-45.3328 -45.3328 -17.3814 -17.3814 -17.2056 -17.2056 -17.2004 -17.2004
-8.6497 -8.6497 -8.5724 -8.5724 -7.8550 -7.8550 -7.7530 -7.7530
-7.6646 -7.6646 -6.1782 -6.1782 -5.4123 -5.4123 0.9125 0.9125
2.6503 2.6503 3.4489 3.4489 4.3936 4.3936 4.9078 4.9078
5.0295 5.0295 8.3560 8.3560 10.1174 10.1174 11.9126 11.9126
12.0309 12.0309
k = 0.6892-0.1687-0.5111 ( 5942 PWs) bands (ev):
-45.3329 -45.3329 -17.3812 -17.3812 -17.2053 -17.2053 -17.2003 -17.2003
-8.6473 -8.6473 -8.5712 -8.5712 -7.8529 -7.8529 -7.7504 -7.7504
-7.6655 -7.6655 -6.2194 -6.2194 -5.4353 -5.4353 0.9574 0.9574
2.7114 2.7114 3.4922 3.4922 4.4372 4.4372 4.9152 4.9152
5.0433 5.0433 8.3870 8.3870 10.1587 10.1587 11.8985 11.8985
12.0121 12.0121
k = 0.6828-0.1584-0.4913 ( 5946 PWs) bands (ev):
-45.3329 -45.3329 -17.3810 -17.3810 -17.2050 -17.2050 -17.2003 -17.2003
-8.6447 -8.6447 -8.5701 -8.5701 -7.8505 -7.8505 -7.7479 -7.7479
-7.6665 -7.6665 -6.2602 -6.2602 -5.4598 -5.4598 1.0026 1.0026
2.7770 2.7770 3.5355 3.5355 4.4730 4.4730 4.9251 4.9251
5.0633 5.0633 8.4191 8.4191 10.2028 10.2028 11.8649 11.8649
12.0014 12.0014
k = 0.6765-0.1481-0.4714 ( 5950 PWs) bands (ev):
-45.3329 -45.3329 -17.3808 -17.3808 -17.2048 -17.2048 -17.2002 -17.2002
-8.6418 -8.6418 -8.5690 -8.5690 -7.8479 -7.8479 -7.7456 -7.7456
-7.6676 -7.6676 -6.3005 -6.3005 -5.4854 -5.4854 1.0479 1.0479
2.8467 2.8467 3.5793 3.5793 4.4999 4.4999 4.9396 4.9396
5.0888 5.0888 8.4521 8.4521 10.2489 10.2489 11.8165 11.8165
11.9908 11.9908
k = 0.6702-0.1378-0.4515 ( 5946 PWs) bands (ev):
-45.3329 -45.3329 -17.3806 -17.3806 -17.2045 -17.2045 -17.2001 -17.2001
-8.6388 -8.6388 -8.5681 -8.5681 -7.8450 -7.8450 -7.7434 -7.7434
-7.6686 -7.6686 -6.3402 -6.3402 -5.5122 -5.5122 1.0928 1.0928
2.9203 2.9203 3.6240 3.6240 4.5172 4.5172 4.9601 4.9601
5.1188 5.1188 8.4860 8.4860 10.2959 10.2959 11.7598 11.7598
11.9725 11.9725
k = 0.6639-0.1275-0.4316 ( 5952 PWs) bands (ev):
-45.3329 -45.3329 -17.3805 -17.3805 -17.2042 -17.2042 -17.2001 -17.2001
-8.6356 -8.6356 -8.5672 -8.5672 -7.8418 -7.8418 -7.7414 -7.7414
-7.6698 -7.6698 -6.3791 -6.3791 -5.5400 -5.5400 1.1370 1.1370
2.9973 2.9973 3.6700 3.6700 4.5256 4.5256 4.9868 4.9868
5.1524 5.1524 8.5203 8.5203 10.3426 10.3426 11.6998 11.6998
11.9427 11.9427
k = 0.6576-0.1172-0.4117 ( 5950 PWs) bands (ev):
-45.3329 -45.3329 -17.3803 -17.3803 -17.2039 -17.2039 -17.2000 -17.2000
-8.6323 -8.6323 -8.5665 -8.5665 -7.8384 -7.8384 -7.7394 -7.7394
-7.6709 -7.6709 -6.4172 -6.4172 -5.5686 -5.5686 1.1801 1.1801
3.0772 3.0772 3.7177 3.7177 4.5265 4.5265 5.0189 5.0189
5.1888 5.1888 8.5550 8.5550 10.3874 10.3874 11.6397 11.6397
11.9009 11.9009
k = 0.6513-0.1069-0.3918 ( 5948 PWs) bands (ev):
-45.3330 -45.3330 -17.3801 -17.3801 -17.2035 -17.2035 -17.1999 -17.1999
-8.6288 -8.6288 -8.5658 -8.5658 -7.8348 -7.8348 -7.7376 -7.7376
-7.6721 -7.6721 -6.4544 -6.4544 -5.5978 -5.5978 1.2218 1.2218
3.1594 3.1594 3.7677 3.7677 4.5221 4.5221 5.0550 5.0550
5.2273 5.2273 8.5897 8.5897 10.4285 10.4285 11.5823 11.5823
11.8483 11.8483
k = 0.6450-0.0965-0.3719 ( 5948 PWs) bands (ev):
-45.3330 -45.3330 -17.3799 -17.3799 -17.2032 -17.2032 -17.1998 -17.1998
-8.6254 -8.6254 -8.5652 -8.5652 -7.8309 -7.8309 -7.7359 -7.7359
-7.6733 -7.6733 -6.4905 -6.4905 -5.6276 -5.6276 1.2617 1.2617
3.2433 3.2433 3.8204 3.8204 4.5145 4.5145 5.0937 5.0937
5.2674 5.2674 8.6241 8.6241 10.4639 10.4639 11.5298 11.5298
11.7875 11.7875
k = 0.6387-0.0862-0.3520 ( 5954 PWs) bands (ev):
-45.3330 -45.3330 -17.3797 -17.3797 -17.2030 -17.2030 -17.1998 -17.1998
-8.6218 -8.6218 -8.5647 -8.5647 -7.8269 -7.8269 -7.7344 -7.7344
-7.6746 -7.6746 -6.5255 -6.5255 -5.6576 -5.6576 1.2997 1.2997
3.3279 3.3279 3.8762 3.8762 4.5059 4.5059 5.1336 5.1336
5.3084 5.3084 8.6577 8.6577 10.4910 10.4910 11.4846 11.4846
11.7212 11.7212
k = 0.6324-0.0759-0.3321 ( 5952 PWs) bands (ev):
-45.3330 -45.3330 -17.3795 -17.3795 -17.2027 -17.2027 -17.1996 -17.1996
-8.6183 -8.6183 -8.5642 -8.5642 -7.8226 -7.8226 -7.7329 -7.7329
-7.6758 -7.6758 -6.5594 -6.5594 -5.6878 -5.6878 1.3354 1.3354
3.4121 3.4121 3.9353 3.9353 4.4981 4.4981 5.1738 5.1738
5.3497 5.3497 8.6901 8.6901 10.5071 10.5071 11.4486 11.4486
11.6521 11.6521
k = 0.6261-0.0656-0.3122 ( 5954 PWs) bands (ev):
-45.3330 -45.3330 -17.3793 -17.3793 -17.2024 -17.2024 -17.1995 -17.1995
-8.6147 -8.6147 -8.5638 -8.5638 -7.8182 -7.8182 -7.7315 -7.7315
-7.6771 -7.6771 -6.5919 -6.5919 -5.7181 -5.7181 1.3688 1.3688
3.4945 3.4945 3.9982 3.9982 4.4931 4.4931 5.2137 5.2137
5.3910 5.3910 8.7205 8.7205 10.5097 10.5097 11.4233 11.4233
11.5828 11.5828
k = 0.6198-0.0553-0.2924 ( 5942 PWs) bands (ev):
-45.3331 -45.3331 -17.3791 -17.3791 -17.2022 -17.2022 -17.1993 -17.1993
-8.6113 -8.6113 -8.5635 -8.5635 -7.8137 -7.8137 -7.7301 -7.7301
-7.6783 -7.6783 -6.6232 -6.6232 -5.7481 -5.7481 1.3996 1.3996
3.5732 3.5732 4.0648 4.0648 4.4930 4.4930 5.2527 5.2527
5.4318 5.4318 8.7482 8.7482 10.4973 10.4973 11.4080 11.4080
11.5172 11.5172
k = 0.6135-0.0450-0.2725 ( 5946 PWs) bands (ev):
-45.3331 -45.3331 -17.3789 -17.3789 -17.2020 -17.2020 -17.1992 -17.1992
-8.6079 -8.6079 -8.5631 -8.5631 -7.8091 -7.8091 -7.7288 -7.7288
-7.6796 -7.6796 -6.6530 -6.6530 -5.7779 -5.7779 1.4278 1.4278
3.6463 3.6463 4.1352 4.1352 4.5000 4.5000 5.2906 5.2906
5.4716 5.4716 8.7723 8.7723 10.4694 10.4694 11.3929 11.3929
11.4662 11.4662
k = 0.6072-0.0346-0.2526 ( 5940 PWs) bands (ev):
-45.3331 -45.3331 -17.3787 -17.3787 -17.2018 -17.2018 -17.1990 -17.1990
-8.6046 -8.6046 -8.5628 -8.5628 -7.8044 -7.8044 -7.7276 -7.7276
-7.6808 -7.6808 -6.6814 -6.6814 -5.8072 -5.8072 1.4535 1.4535
3.7112 3.7112 4.2094 4.2094 4.5164 4.5164 5.3270 5.3270
5.5101 5.5101 8.7917 8.7917 10.4268 10.4268 11.3550 11.3550
11.4533 11.4533
k = 0.6009-0.0243-0.2327 ( 5940 PWs) bands (ev):
-45.3331 -45.3331 -17.3786 -17.3786 -17.2016 -17.2016 -17.1988 -17.1988
-8.6014 -8.6014 -8.5625 -8.5625 -7.7998 -7.7998 -7.7263 -7.7263
-7.6820 -7.6820 -6.7084 -6.7084 -5.8359 -5.8359 1.4765 1.4765
3.7660 3.7660 4.2870 4.2870 4.5442 4.5442 5.3619 5.3619
5.5471 5.5471 8.8054 8.8054 10.3714 10.3714 11.3041 11.3041
11.4679 11.4679
k = 0.5946-0.0140-0.2128 ( 5942 PWs) bands (ev):
-45.3331 -45.3331 -17.3784 -17.3784 -17.2015 -17.2015 -17.1986 -17.1986
-8.5984 -8.5984 -8.5622 -8.5622 -7.7952 -7.7952 -7.7250 -7.7250
-7.6832 -7.6832 -6.7338 -6.7338 -5.8639 -5.8639 1.4972 1.4972
3.8092 3.8092 4.3675 4.3675 4.5847 4.5847 5.3953 5.3953
5.5821 5.5821 8.8124 8.8124 10.3052 10.3052 11.2557 11.2557
11.4929 11.4929
k = 0.5883-0.0037-0.1929 ( 5940 PWs) bands (ev):
-45.3331 -45.3331 -17.3782 -17.3782 -17.2014 -17.2014 -17.1984 -17.1984
-8.5956 -8.5956 -8.5618 -8.5618 -7.7907 -7.7907 -7.7237 -7.7237
-7.6843 -7.6843 -6.7576 -6.7576 -5.8909 -5.8909 1.5154 1.5154
3.8408 3.8408 4.4502 4.4502 4.6380 4.6380 5.4271 5.4271
5.6151 5.6151 8.8117 8.8117 10.2302 10.2302 11.2145 11.2145
11.5223 11.5223
k = 0.5820 0.0066-0.1730 ( 5940 PWs) bands (ev):
-45.3331 -45.3331 -17.3781 -17.3781 -17.2013 -17.2013 -17.1981 -17.1981
-8.5930 -8.5930 -8.5615 -8.5615 -7.7864 -7.7864 -7.7223 -7.7223
-7.6854 -7.6854 -6.7799 -6.7799 -5.9168 -5.9168 1.5314 1.5314
3.8618 3.8618 4.5342 4.5342 4.7025 4.7025 5.4575 5.4575
5.6458 5.6458 8.8028 8.8028 10.1482 10.1482 11.1822 11.1822
11.5521 11.5521
k = 0.5757 0.0169-0.1531 ( 5942 PWs) bands (ev):
-45.3332 -45.3332 -17.3780 -17.3780 -17.2012 -17.2012 -17.1979 -17.1979
-8.5907 -8.5907 -8.5611 -8.5611 -7.7824 -7.7824 -7.7208 -7.7208
-7.6864 -7.6864 -6.8005 -6.8005 -5.9415 -5.9415 1.5454 1.5454
3.8742 3.8742 4.6187 4.6187 4.7760 4.7760 5.4865 5.4865
5.6741 5.6741 8.7853 8.7853 10.0610 10.0610 11.1596 11.1596
11.5787 11.5787
k = 0.5694 0.0272-0.1332 ( 5952 PWs) bands (ev):
-45.3332 -45.3332 -17.3779 -17.3779 -17.2012 -17.2012 -17.1977 -17.1977
-8.5886 -8.5886 -8.5606 -8.5606 -7.7787 -7.7787 -7.7192 -7.7192
-7.6873 -7.6873 -6.8196 -6.8196 -5.9649 -5.9649 1.5575 1.5575
3.8801 3.8801 4.7029 4.7029 4.8554 4.8554 5.5142 5.5142
5.7000 5.7000 8.7595 8.7595 9.9701 9.9701 11.1469 11.1469
11.5976 11.5976
k = 0.5631 0.0376-0.1134 ( 5942 PWs) bands (ev):
-45.3332 -45.3332 -17.3777 -17.3777 -17.2011 -17.2011 -17.1975 -17.1975
-8.5868 -8.5868 -8.5601 -8.5601 -7.7753 -7.7753 -7.7175 -7.7175
-7.6882 -7.6882 -6.8369 -6.8369 -5.9868 -5.9868 1.5679 1.5679
3.8813 3.8813 4.7859 4.7859 4.9381 4.9381 5.5407 5.5407
5.7235 5.7235 8.7262 8.7262 9.8771 9.8771 11.1431 11.1431
11.6049 11.6049
k = 0.5567 0.0479-0.0935 ( 5932 PWs) bands (ev):
-45.3332 -45.3332 -17.3776 -17.3776 -17.2011 -17.2011 -17.1972 -17.1972
-8.5852 -8.5852 -8.5595 -8.5595 -7.7723 -7.7723 -7.7157 -7.7157
-7.6890 -7.6890 -6.8527 -6.8527 -6.0071 -6.0071 1.5766 1.5766
3.8794 3.8794 4.8666 4.8666 5.0214 5.0214 5.5660 5.5660
5.7447 5.7447 8.6867 8.6867 9.7839 9.7839 11.1471 11.1471
11.5995 11.5995
k = 0.5504 0.0582-0.0736 ( 5932 PWs) bands (ev):
-45.3332 -45.3332 -17.3775 -17.3775 -17.2010 -17.2010 -17.1971 -17.1971
-8.5839 -8.5839 -8.5589 -8.5589 -7.7698 -7.7698 -7.7139 -7.7139
-7.6898 -7.6898 -6.8667 -6.8667 -6.0256 -6.0256 1.5840 1.5840
3.8756 3.8756 4.9437 4.9437 5.1032 5.1032 5.5897 5.5897
5.7640 5.7640 8.6427 8.6427 9.6922 9.6922 11.1566 11.1566
11.5854 11.5854
k = 0.5441 0.0685-0.0537 ( 5932 PWs) bands (ev):
-45.3332 -45.3332 -17.3774 -17.3774 -17.2010 -17.2010 -17.1969 -17.1969
-8.5829 -8.5829 -8.5583 -8.5583 -7.7676 -7.7676 -7.7120 -7.7120
-7.6904 -7.6904 -6.8792 -6.8792 -6.0422 -6.0422 1.5902 1.5902
3.8708 3.8708 5.0155 5.0155 5.1818 5.1818 5.6113 5.6113
5.7819 5.7819 8.5962 8.5962 9.6041 9.6041 11.1694 11.1694
11.5689 11.5689
k = 0.5378 0.0788-0.0338 ( 5932 PWs) bands (ev):
-45.3332 -45.3332 -17.3773 -17.3773 -17.2010 -17.2010 -17.1967 -17.1967
-8.5820 -8.5820 -8.5577 -8.5577 -7.7658 -7.7658 -7.7101 -7.7101
-7.6910 -7.6910 -6.8899 -6.8899 -6.0569 -6.0569 1.5952 1.5952
3.8657 3.8657 5.0803 5.0803 5.2560 5.2560 5.6295 5.6295
5.7991 5.7991 8.5494 8.5494 9.5215 9.5215 11.1829 11.1829
11.5548 11.5548
k = 0.5315 0.0891-0.0139 ( 5928 PWs) bands (ev):
-45.3332 -45.3332 -17.3772 -17.3772 -17.2010 -17.2010 -17.1966 -17.1966
-8.5814 -8.5814 -8.5572 -8.5572 -7.7644 -7.7644 -7.7084 -7.7084
-7.6915 -7.6915 -6.8990 -6.8990 -6.0695 -6.0695 1.5993 1.5993
3.8607 3.8607 5.1366 5.1366 5.3251 5.3251 5.6427 5.6427
5.8162 5.8162 8.5047 8.5047 9.4467 9.4467 11.1949 11.1949
11.5457 11.5457
k = 0.5252 0.0994 0.0060 ( 5940 PWs) bands (ev):
-45.3332 -45.3332 -17.3772 -17.3772 -17.2010 -17.2010 -17.1965 -17.1965
-8.5809 -8.5809 -8.5567 -8.5567 -7.7633 -7.7633 -7.7069 -7.7069
-7.6919 -7.6919 -6.9065 -6.9065 -6.0799 -6.0799 1.6025 1.6025
3.8561 3.8561 5.1831 5.1831 5.3884 5.3884 5.6491 5.6491
5.8333 5.8333 8.4642 8.4642 9.3818 9.3818 11.2039 11.2039
11.5422 11.5422
k = 0.5189 0.1098 0.0259 ( 5946 PWs) bands (ev):
-45.3332 -45.3332 -17.3772 -17.3772 -17.2010 -17.2010 -17.1964 -17.1964
-8.5805 -8.5805 -8.5563 -8.5563 -7.7624 -7.7624 -7.7057 -7.7057
-7.6922 -7.6922 -6.9122 -6.9122 -6.0881 -6.0881 1.6049 1.6049
3.8524 3.8524 5.2190 5.2190 5.4453 5.4453 5.6478 5.6478
5.8496 5.8496 8.4303 8.4303 9.3287 9.3287 11.2098 11.2098
11.5430 11.5430
k = 0.5126 0.1201 0.0458 ( 5950 PWs) bands (ev):
-45.3333 -45.3333 -17.3772 -17.3772 -17.2010 -17.2010 -17.1964 -17.1964
-8.5802 -8.5802 -8.5559 -8.5559 -7.7619 -7.7619 -7.7047 -7.7047
-7.6924 -7.6924 -6.9164 -6.9164 -6.0940 -6.0940 1.6065 1.6065
3.8496 3.8496 5.2443 5.2443 5.4947 5.4947 5.6388 5.6388
5.8633 5.8633 8.4045 8.4045 9.2893 9.2893 11.2130 11.2130
11.5460 11.5460
k = 0.5063 0.1304 0.0656 ( 5950 PWs) bands (ev):
-45.3333 -45.3333 -17.3771 -17.3771 -17.2010 -17.2010 -17.1964 -17.1964
-8.5801 -8.5801 -8.5558 -8.5558 -7.7616 -7.7616 -7.7041 -7.7041
-7.6925 -7.6925 -6.9189 -6.9189 -6.0975 -6.0975 1.6075 1.6075
3.8479 3.8479 5.2593 5.2593 5.5338 5.5338 5.6241 5.6241
5.8725 5.8725 8.3885 8.3885 9.2651 9.2651 11.2144 11.2144
11.5490 11.5490
k = 0.5000 0.1407 0.0855 ( 5956 PWs) bands (ev):
-45.3333 -45.3333 -17.3772 -17.3772 -17.2010 -17.2010 -17.1964 -17.1964
-8.5801 -8.5801 -8.5557 -8.5557 -7.7614 -7.7614 -7.7039 -7.7039
-7.6926 -7.6926 -6.9197 -6.9197 -6.0987 -6.0987 1.6078 1.6078
3.8473 3.8473 5.2642 5.2642 5.5520 5.5520 5.6141 5.6141
5.8758 5.8758 8.3831 8.3831 9.2569 9.2569 11.2148 11.2148
11.5501 11.5501
k = 0.5000 0.1407 0.0855 ( 5956 PWs) bands (ev):
-45.3333 -45.3333 -17.3772 -17.3772 -17.2010 -17.2010 -17.1964 -17.1964
-8.5801 -8.5801 -8.5557 -8.5557 -7.7614 -7.7614 -7.7039 -7.7039
-7.6926 -7.6926 -6.9197 -6.9197 -6.0987 -6.0987 1.6078 1.6078
3.8473 3.8473 5.2642 5.2642 5.5520 5.5520 5.6141 5.6141
5.8758 5.8758 8.3831 8.3831 9.2569 9.2569 11.2148 11.2148
11.5501 11.5501
k = 0.4783 0.1346 0.0818 ( 5947 PWs) bands (ev):
-45.3333 -45.3333 -17.3771 -17.3771 -17.2010 -17.2010 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7614 -7.7614 -7.7039 -7.7039
-7.6926 -7.6926 -6.9202 -6.9202 -6.0980 -6.0980 1.6042 1.6042
3.8535 3.8535 5.2646 5.2646 5.5523 5.5523 5.6138 5.6138
5.8755 5.8755 8.3778 8.3778 9.2569 9.2569 11.2145 11.2145
11.5498 11.5498
k = 0.4565 0.1285 0.0781 ( 5941 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2010 -17.2010 -17.1963 -17.1963
-8.5800 -8.5800 -8.5557 -8.5557 -7.7614 -7.7614 -7.7039 -7.7039
-7.6926 -7.6926 -6.9216 -6.9216 -6.0959 -6.0959 1.5933 1.5933
3.8720 3.8720 5.2657 5.2657 5.5531 5.5531 5.6130 5.6130
5.8746 5.8746 8.3620 8.3620 9.2569 9.2569 11.2137 11.2137
11.5487 11.5487
k = 0.4348 0.1224 0.0744 ( 5944 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2010 -17.2010 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7039 -7.7039
-7.6926 -7.6926 -6.9240 -6.9240 -6.0924 -6.0924 1.5759 1.5759
3.9023 3.9023 5.2676 5.2676 5.5546 5.5546 5.6115 5.6115
5.8732 5.8732 8.3361 8.3361 9.2568 9.2568 11.2124 11.2124
11.5469 11.5469
k = 0.4130 0.1162 0.0707 ( 5938 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2010 -17.2010 -17.1963 -17.1963
-8.5800 -8.5800 -8.5557 -8.5557 -7.7615 -7.7615 -7.7039 -7.7039
-7.6926 -7.6926 -6.9272 -6.9272 -6.0876 -6.0876 1.5524 1.5524
3.9435 3.9435 5.2702 5.2702 5.5566 5.5566 5.6095 5.6095
5.8712 5.8712 8.3005 8.3005 9.2566 9.2566 11.2106 11.2106
11.5444 11.5444
k = 0.3913 0.1101 0.0669 ( 5932 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2010 -17.2010 -17.1963 -17.1963
-8.5800 -8.5800 -8.5557 -8.5557 -7.7615 -7.7615 -7.7039 -7.7039
-7.6926 -7.6926 -6.9312 -6.9312 -6.0817 -6.0817 1.5239 1.5239
3.9948 3.9948 5.2736 5.2736 5.5591 5.5591 5.6070 5.6070
5.8687 5.8687 8.2557 8.2557 9.2561 9.2561 11.2084 11.2084
11.5413 11.5413
k = 0.3696 0.1040 0.0632 ( 5926 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7039 -7.7039
-7.6926 -7.6926 -6.9358 -6.9358 -6.0748 -6.0748 1.4912 1.4912
4.0550 4.0550 5.2778 5.2778 5.5622 5.5622 5.6040 5.6040
5.8657 5.8657 8.2024 8.2024 9.2552 9.2552 11.2058 11.2058
11.5377 11.5377
k = 0.3478 0.0979 0.0595 ( 5929 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7039 -7.7039
-7.6926 -7.6926 -6.9410 -6.9410 -6.0669 -6.0669 1.4555 1.4555
4.1229 4.1229 5.2828 5.2828 5.5658 5.5658 5.6005 5.6005
5.8621 5.8621 8.1415 8.1415 9.2539 9.2539 11.2028 11.2028
11.5336 11.5336
k = 0.3261 0.0918 0.0558 ( 5923 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7039 -7.7039
-7.6926 -7.6926 -6.9466 -6.9466 -6.0584 -6.0584 1.4177 1.4177
4.1974 4.1974 5.2886 5.2886 5.5698 5.5698 5.5965 5.5965
5.8582 5.8582 8.0736 8.0736 9.2522 9.2522 11.1995 11.1995
11.5292 11.5292
k = 0.3043 0.0856 0.0521 ( 5938 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7039 -7.7039
-7.6926 -7.6926 -6.9525 -6.9525 -6.0494 -6.0494 1.3786 1.3786
4.2773 4.2773 5.2953 5.2953 5.5742 5.5742 5.5922 5.5922
5.8538 5.8538 7.9995 7.9995 9.2500 9.2500 11.1960 11.1960
11.5244 11.5244
k = 0.2826 0.0795 0.0483 ( 5941 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7039 -7.7039
-7.6926 -7.6926 -6.9586 -6.9586 -6.0400 -6.0400 1.3392 1.3392
4.3614 4.3614 5.3030 5.3030 5.5791 5.5791 5.5875 5.5875
5.8490 5.8490 7.9203 7.9203 9.2475 9.2475 11.1924 11.1924
11.5195 11.5195
k = 0.2609 0.0734 0.0446 ( 5935 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7039 -7.7039
-7.6926 -7.6926 -6.9648 -6.9648 -6.0304 -6.0304 1.3002 1.3002
4.4484 4.4484 5.3118 5.3118 5.5826 5.5826 5.5842 5.5842
5.8439 5.8439 7.8367 7.8367 9.2446 9.2446 11.1886 11.1886
11.5144 11.5144
k = 0.2391 0.0673 0.0409 ( 5947 PWs) bands (ev):
-45.3333 -45.3333 -17.3771 -17.3771 -17.2010 -17.2010 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6926 -7.6926 -6.9709 -6.9709 -6.0209 -6.0209 1.2622 1.2622
4.5370 4.5370 5.3219 5.3219 5.5774 5.5774 5.5896 5.5896
5.8385 5.8385 7.7497 7.7497 9.2415 9.2415 11.1848 11.1848
11.5094 11.5094
k = 0.2174 0.0612 0.0372 ( 5926 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6926 -7.6926 -6.9768 -6.9768 -6.0115 -6.0115 1.2258 1.2258
4.6258 4.6258 5.3335 5.3335 5.5722 5.5722 5.5953 5.5953
5.8329 5.8329 7.6604 7.6604 9.2383 9.2383 11.1811 11.1811
11.5044 11.5044
k = 0.1957 0.0551 0.0335 ( 5926 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6927 -7.6927 -6.9825 -6.9825 -6.0025 -6.0025 1.1915 1.1915
4.7132 4.7132 5.3472 5.3472 5.5668 5.5668 5.6010 5.6010
5.8272 5.8272 7.5699 7.5699 9.2350 9.2350 11.1775 11.1775
11.4997 11.4997
k = 0.1739 0.0489 0.0297 ( 5938 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6927 -7.6927 -6.9878 -6.9878 -5.9940 -5.9940 1.1597 1.1597
4.7972 4.7972 5.3634 5.3634 5.5616 5.5616 5.6067 5.6067
5.8215 5.8215 7.4794 7.4794 9.2318 9.2318 11.1741 11.1741
11.4952 11.4952
k = 0.1522 0.0428 0.0260 ( 5935 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6927 -7.6927 -6.9927 -6.9927 -5.9862 -5.9862 1.1309 1.1309
4.8757 4.8757 5.3827 5.3827 5.5566 5.5566 5.6124 5.6124
5.8159 5.8159 7.3904 7.3904 9.2287 9.2287 11.1710 11.1710
11.4910 11.4910
k = 0.1304 0.0367 0.0223 ( 5930 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6927 -7.6927 -6.9971 -6.9971 -5.9791 -5.9791 1.1053 1.1053
4.9462 4.9462 5.4059 5.4059 5.5518 5.5518 5.6178 5.6178
5.8105 5.8105 7.3048 7.3048 9.2258 9.2258 11.1681 11.1681
11.4873 11.4873
k = 0.1087 0.0306 0.0186 ( 5930 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6927 -7.6927 -7.0009 -7.0009 -5.9729 -5.9729 1.0832 1.0832
5.0063 5.0063 5.4329 5.4329 5.5475 5.5475 5.6228 5.6228
5.8055 5.8055 7.2246 7.2246 9.2232 9.2232 11.1656 11.1656
11.4840 11.4840
k = 0.0870 0.0245 0.0149 ( 5936 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6927 -7.6927 -7.0041 -7.0041 -5.9677 -5.9677 1.0649 1.0649
5.0545 5.0545 5.4627 5.4627 5.5438 5.5438 5.6273 5.6273
5.8011 5.8011 7.1523 7.1523 9.2210 9.2210 11.1635 11.1635
11.4812 11.4812
k = 0.0652 0.0184 0.0112 ( 5936 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6927 -7.6927 -7.0066 -7.0066 -5.9636 -5.9636 1.0504 1.0504
5.0905 5.0905 5.4926 5.4926 5.5408 5.5408 5.6310 5.6310
5.7974 5.7974 7.0910 7.0910 9.2193 9.2193 11.1619 11.1619
11.4790 11.4790
k = 0.0435 0.0122 0.0074 ( 5939 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6927 -7.6927 -7.0084 -7.0084 -5.9606 -5.9606 1.0400 1.0400
5.1148 5.1148 5.5183 5.5183 5.5390 5.5390 5.6338 5.6338
5.7946 5.7946 7.0439 7.0439 9.2180 9.2180 11.1607 11.1607
11.4775 11.4775
k = 0.0217 0.0061 0.0037 ( 5933 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6927 -7.6927 -7.0095 -7.0095 -5.9588 -5.9588 1.0337 1.0337
5.1287 5.1287 5.5328 5.5328 5.5410 5.5410 5.6356 5.6356
5.7928 5.7928 7.0141 7.0141 9.2172 9.2172 11.1599 11.1599
11.4765 11.4765
k = 0.0000 0.0000 0.0000 ( 5921 PWs) bands (ev):
-45.3332 -45.3332 -17.3770 -17.3770 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6927 -7.6927 -7.0099 -7.0099 -5.9582 -5.9582 1.0316 1.0316
5.1333 5.1333 5.5344 5.5344 5.5453 5.5453 5.6362 5.6362
5.7922 5.7922 7.0038 7.0038 9.2169 9.2169 11.1597 11.1597
11.4762 11.4762
k = 0.0000 0.0000 0.0000 ( 5921 PWs) bands (ev):
-45.3332 -45.3332 -17.3770 -17.3770 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5557 -8.5557 -7.7615 -7.7615 -7.7040 -7.7040
-7.6927 -7.6927 -7.0099 -7.0099 -5.9582 -5.9582 1.0316 1.0316
5.1333 5.1333 5.5344 5.5344 5.5453 5.5453 5.6362 5.6362
5.7922 5.7922 7.0038 7.0038 9.2169 9.2169 11.1597 11.1597
11.4762 11.4762
k = 0.0062-0.0102-0.0196 ( 5935 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1963 -17.1963
-8.5801 -8.5801 -8.5558 -8.5558 -7.7616 -7.7616 -7.7041 -7.7041
-7.6927 -7.6927 -7.0090 -7.0090 -5.9571 -5.9571 1.0322 1.0322
5.1296 5.1296 5.5214 5.5214 5.5401 5.5401 5.6368 5.6368
5.7896 5.7896 7.0174 7.0174 9.2248 9.2248 11.1552 11.1552
11.4697 11.4697
k = 0.0124-0.0204-0.0393 ( 5945 PWs) bands (ev):
-45.3332 -45.3332 -17.3771 -17.3771 -17.2009 -17.2009 -17.1964 -17.1964
-8.5802 -8.5802 -8.5559 -8.5559 -7.7619 -7.7619 -7.7047 -7.7047
-7.6925 -7.6925 -7.0065 -7.0065 -5.9539 -5.9539 1.0339 1.0339
5.1179 5.1179 5.4857 5.4857 5.5247 5.5247 5.6377 5.6377
5.7819 5.7819 7.0566 7.0566 9.2483 9.2483 11.1402 11.1402
11.4541 11.4541
k = 0.0187-0.0306-0.0589 ( 5943 PWs) bands (ev):
-45.3332 -45.3332 -17.3772 -17.3772 -17.2009 -17.2009 -17.1964 -17.1964
-8.5805 -8.5805 -8.5562 -8.5562 -7.7624 -7.7624 -7.7056 -7.7056
-7.6923 -7.6923 -7.0023 -7.0023 -5.9486 -5.9486 1.0368 1.0368
5.0962 5.0962 5.4329 5.4329 5.5004 5.5004 5.6374 5.6374
5.7697 5.7697 7.1177 7.1177 9.2864 9.2864 11.1106 11.1106
11.4388 11.4388
k = 0.0249-0.0407-0.0785 ( 5941 PWs) bands (ev):
-45.3332 -45.3332 -17.3772 -17.3772 -17.2009 -17.2009 -17.1965 -17.1965
-8.5808 -8.5808 -8.5566 -8.5566 -7.7632 -7.7632 -7.7067 -7.7067
-7.6920 -7.6920 -6.9965 -6.9965 -5.9412 -5.9412 1.0407 1.0407
5.0612 5.0612 5.3692 5.3692 5.4700 5.4700 5.6353 5.6353
5.7541 5.7541 7.1958 7.1958 9.3379 9.3379 11.0634 11.0634
11.4328 11.4328
k = 0.0311-0.0509-0.0982 ( 5939 PWs) bands (ev):
-45.3332 -45.3332 -17.3772 -17.3772 -17.2009 -17.2009 -17.1966 -17.1966
-8.5813 -8.5813 -8.5571 -8.5571 -7.7642 -7.7642 -7.7082 -7.7082
-7.6916 -7.6916 -6.9889 -6.9889 -5.9318 -5.9318 1.0457 1.0457
5.0098 5.0098 5.2993 5.2993 5.4369 5.4369 5.6312 5.6312
5.7358 5.7358 7.2865 7.2865 9.4010 9.4010 10.9999 10.9999
11.4399 11.4399
k = 0.0373-0.0611-0.1178 ( 5929 PWs) bands (ev):
-45.3332 -45.3332 -17.3773 -17.3773 -17.2009 -17.2009 -17.1967 -17.1967
-8.5819 -8.5819 -8.5576 -8.5576 -7.7655 -7.7655 -7.7098 -7.7098
-7.6911 -7.6911 -6.9796 -6.9796 -5.9204 -5.9204 1.0517 1.0517
4.9405 4.9405 5.2253 5.2253 5.4051 5.4051 5.6252 5.6252
5.7156 5.7156 7.3859 7.3859 9.4739 9.4739 10.9246 10.9246
11.4594 11.4594
k = 0.0436-0.0713-0.1375 ( 5937 PWs) bands (ev):
-45.3332 -45.3332 -17.3774 -17.3774 -17.2010 -17.2010 -17.1969 -17.1969
-8.5827 -8.5827 -8.5582 -8.5582 -7.7671 -7.7671 -7.7115 -7.7115
-7.6905 -7.6905 -6.9687 -6.9687 -5.9072 -5.9072 1.0586 1.0586
4.8553 4.8553 5.1464 5.1464 5.3770 5.3770 5.6172 5.6172
5.6943 5.6943 7.4910 7.4910 9.5545 9.5545 10.8424 10.8424
11.4897 11.4897
k = 0.0498-0.0815-0.1571 ( 5939 PWs) bands (ev):
-45.3332 -45.3332 -17.3775 -17.3775 -17.2010 -17.2010 -17.1971 -17.1971
-8.5837 -8.5837 -8.5588 -8.5588 -7.7691 -7.7691 -7.7134 -7.7134
-7.6899 -7.6899 -6.9561 -6.9561 -5.8922 -5.8922 1.0664 1.0664
4.7582 4.7582 5.0614 5.0614 5.3532 5.3532 5.6070 5.6070
5.6724 5.6724 7.5993 7.5993 9.6408 9.6408 10.7571 10.7571
11.5290 11.5290
k = 0.0560-0.0917-0.1767 ( 5937 PWs) bands (ev):
-45.3332 -45.3332 -17.3776 -17.3776 -17.2010 -17.2010 -17.1973 -17.1973
-8.5849 -8.5849 -8.5594 -8.5594 -7.7714 -7.7714 -7.7152 -7.7152
-7.6892 -7.6892 -6.9418 -6.9418 -5.8755 -5.8755 1.0748 1.0748
4.6531 4.6531 4.9702 4.9702 5.3324 5.3324 5.5934 5.5934
5.6514 5.6514 7.7090 7.7090 9.7309 9.7309 10.6718 10.6718
11.5762 11.5762
k = 0.0622-0.1018-0.1964 ( 5937 PWs) bands (ev):
-45.3332 -45.3332 -17.3777 -17.3777 -17.2011 -17.2011 -17.1975 -17.1975
-8.5864 -8.5864 -8.5599 -8.5599 -7.7742 -7.7742 -7.7170 -7.7170
-7.6883 -7.6883 -6.9258 -6.9258 -5.8572 -5.8572 1.0838 1.0838
4.5433 4.5433 4.8734 4.8734 5.3132 5.3132 5.5747 5.5747
5.6334 5.6334 7.8186 7.8186 9.8226 9.8226 10.5890 10.5890
11.6302 11.6302
k = 0.0685-0.1120-0.2160 ( 5941 PWs) bands (ev):
-45.3332 -45.3332 -17.3778 -17.3778 -17.2011 -17.2011 -17.1977 -17.1977
-8.5881 -8.5881 -8.5604 -8.5604 -7.7773 -7.7773 -7.7187 -7.7187
-7.6875 -7.6875 -6.9081 -6.9081 -5.8374 -5.8374 1.0933 1.0933
4.4310 4.4310 4.7722 4.7722 5.2938 5.2938 5.5498 5.5498
5.6198 5.6198 7.9266 7.9266 9.9139 9.9139 10.5111 10.5111
11.6901 11.6901
k = 0.0747-0.1222-0.2356 ( 5937 PWs) bands (ev):
-45.3332 -45.3332 -17.3779 -17.3779 -17.2012 -17.2012 -17.1979 -17.1979
-8.5900 -8.5900 -8.5609 -8.5609 -7.7807 -7.7807 -7.7203 -7.7203
-7.6865 -7.6865 -6.8887 -6.8887 -5.8164 -5.8164 1.1030 1.1030
4.3180 4.3180 4.6675 4.6675 5.2730 5.2730 5.5191 5.5191
5.6103 5.6103 8.0321 8.0321 10.0017 10.0017 10.4414 10.4414
11.7549 11.7549
k = 0.0809-0.1324-0.2553 ( 5933 PWs) bands (ev):
-45.3331 -45.3331 -17.3780 -17.3780 -17.2012 -17.2012 -17.1981 -17.1981
-8.5922 -8.5922 -8.5613 -8.5613 -7.7845 -7.7845 -7.7218 -7.7218
-7.6855 -7.6855 -6.8677 -6.8677 -5.7941 -5.7941 1.1127 1.1127
4.2054 4.2054 4.5606 4.5606 5.2500 5.2500 5.4840 5.4840
5.6039 5.6039 8.1338 8.1338 10.0802 10.0802 10.3858 10.3858
11.8234 11.8234
k = 0.0871-0.1426-0.2749 ( 5937 PWs) bands (ev):
-45.3331 -45.3331 -17.3782 -17.3782 -17.2013 -17.2013 -17.1983 -17.1983
-8.5947 -8.5947 -8.5617 -8.5617 -7.7885 -7.7885 -7.7233 -7.7233
-7.6844 -7.6844 -6.8450 -6.8450 -5.7707 -5.7707 1.1223 1.1223
4.0944 4.0944 4.4523 4.4523 5.2241 5.2241 5.4450 5.4450
5.6001 5.6001 8.2307 8.2307 10.1350 10.1350 10.3593 10.3593
11.8939 11.8939
k = 0.0934-0.1528-0.2945 ( 5941 PWs) bands (ev):
-45.3331 -45.3331 -17.3784 -17.3784 -17.2014 -17.2014 -17.1986 -17.1986
-8.5973 -8.5973 -8.5620 -8.5620 -7.7928 -7.7928 -7.7247 -7.7247
-7.6833 -7.6833 -6.8207 -6.8207 -5.7464 -5.7464 1.1315 1.1315
3.9856 3.9856 4.3434 4.3434 5.1950 5.1950 5.4027 5.4027
5.5983 5.5983 8.3217 8.3217 10.1468 10.1468 10.3820 10.3820
11.9647 11.9647
k = 0.0996-0.1629-0.3142 ( 5933 PWs) bands (ev):
-45.3331 -45.3331 -17.3785 -17.3785 -17.2015 -17.2015 -17.1987 -17.1987
-8.6002 -8.6002 -8.5624 -8.5624 -7.7971 -7.7971 -7.7260 -7.7260
-7.6822 -7.6822 -6.7948 -6.7948 -5.7213 -5.7213 1.1399 1.1399
3.8798 3.8798 4.2346 4.2346 5.1624 5.1624 5.3573 5.3573
5.5982 5.5982 8.4059 8.4059 10.1280 10.1280 10.4421 10.4421
12.0339 12.0339
k = 0.1058-0.1731-0.3338 ( 5933 PWs) bands (ev):
-45.3331 -45.3331 -17.3787 -17.3787 -17.2017 -17.2017 -17.1989 -17.1989
-8.6032 -8.6032 -8.5627 -8.5627 -7.8016 -7.8016 -7.7273 -7.7273
-7.6810 -7.6810 -6.7673 -6.7673 -5.6955 -5.6955 1.1473 1.1473
3.7777 3.7777 4.1265 4.1265 5.1263 5.1263 5.3091 5.3091
5.5995 5.5995 8.4820 8.4820 10.1036 10.1036 10.5156 10.5156
12.0992 12.0992
k = 0.1120-0.1833-0.3534 ( 5936 PWs) bands (ev):
-45.3331 -45.3331 -17.3788 -17.3788 -17.2019 -17.2019 -17.1991 -17.1991
-8.6063 -8.6063 -8.5630 -8.5630 -7.8061 -7.8061 -7.7286 -7.7286
-7.6798 -7.6798 -6.7383 -6.7383 -5.6692 -5.6692 1.1533 1.1533
3.6798 3.6798 4.0197 4.0197 5.0869 5.0869 5.2581 5.2581
5.6019 5.6019 8.5493 8.5493 10.0843 10.0843 10.5925 10.5925
12.1584 12.1584
k = 0.1183-0.1935-0.3731 ( 5940 PWs) bands (ev):
-45.3331 -45.3331 -17.3790 -17.3790 -17.2021 -17.2021 -17.1993 -17.1993
-8.6096 -8.6096 -8.5633 -8.5633 -7.8106 -7.8106 -7.7299 -7.7299
-7.6786 -7.6786 -6.7078 -6.7078 -5.6425 -5.6425 1.1576 1.1576
3.5868 3.5868 3.9146 3.9146 5.0442 5.0442 5.2048 5.2048
5.6049 5.6049 8.6069 8.6069 10.0743 10.0743 10.6696 10.6696
12.2098 12.2098
k = 0.1245-0.2037-0.3927 ( 5940 PWs) bands (ev):
-45.3330 -45.3330 -17.3792 -17.3792 -17.2023 -17.2023 -17.1994 -17.1994
-8.6130 -8.6130 -8.5637 -8.5637 -7.8151 -7.8151 -7.7313 -7.7313
-7.6773 -7.6773 -6.6759 -6.6759 -5.6157 -5.6157 1.1598 1.1598
3.4990 3.4990 3.8117 3.8117 4.9984 4.9984 5.1492 5.1492
5.6084 5.6084 8.6545 8.6545 10.0752 10.0752 10.7458 10.7458
12.2520 12.2520
k = 0.1307-0.2139-0.4124 ( 5938 PWs) bands (ev):
-45.3330 -45.3330 -17.3794 -17.3794 -17.2025 -17.2025 -17.1996 -17.1996
-8.6164 -8.6164 -8.5641 -8.5641 -7.8194 -7.8194 -7.7327 -7.7327
-7.6761 -7.6761 -6.6426 -6.6426 -5.5887 -5.5887 1.1595 1.1595
3.4169 3.4169 3.7115 3.7115 4.9496 4.9496 5.0918 5.0918
5.6120 5.6120 8.6920 8.6920 10.0872 10.0872 10.8205 10.8205
12.2843 12.2843
k = 0.1369-0.2240-0.4320 ( 5944 PWs) bands (ev):
-45.3330 -45.3330 -17.3796 -17.3796 -17.2028 -17.2028 -17.1997 -17.1997
-8.6199 -8.6199 -8.5646 -8.5646 -7.8236 -7.8236 -7.7342 -7.7342
-7.6749 -7.6749 -6.6080 -6.6080 -5.5619 -5.5619 1.1563 1.1563
3.3410 3.3410 3.6142 3.6142 4.8980 4.8980 5.0328 5.0328
5.6154 5.6154 8.7199 8.7199 10.1101 10.1101 10.8938 10.8938
12.3069 12.3069
k = 0.1432-0.2342-0.4516 ( 5938 PWs) bands (ev):
-45.3330 -45.3330 -17.3798 -17.3798 -17.2031 -17.2031 -17.1998 -17.1998
-8.6234 -8.6234 -8.5651 -8.5651 -7.8277 -7.8277 -7.7358 -7.7358
-7.6736 -7.6736 -6.5721 -6.5721 -5.5353 -5.5353 1.1500 1.1500
3.2715 3.2715 3.5203 3.5203 4.8438 4.8438 4.9726 4.9726
5.6184 5.6184 8.7392 8.7392 10.1429 10.1429 10.9654 10.9654
12.3207 12.3207
k = 0.1494-0.2444-0.4713 ( 5938 PWs) bands (ev):
-45.3330 -45.3330 -17.3800 -17.3800 -17.2034 -17.2034 -17.1999 -17.1999
-8.6268 -8.6268 -8.5657 -8.5657 -7.8316 -7.8316 -7.7375 -7.7375
-7.6724 -7.6724 -6.5351 -6.5351 -5.5090 -5.5090 1.1402 1.1402
3.2085 3.2085 3.4301 3.4301 4.7872 4.7872 4.9116 4.9116
5.6206 5.6206 8.7509 8.7509 10.1842 10.1842 11.0354 11.0354
12.3270 12.3270
k = 0.1556-0.2546-0.4909 ( 5944 PWs) bands (ev):
-45.3329 -45.3329 -17.3802 -17.3802 -17.2037 -17.2037 -17.2000 -17.2000
-8.6302 -8.6302 -8.5663 -8.5663 -7.8353 -7.8353 -7.7392 -7.7392
-7.6713 -7.6713 -6.4970 -6.4970 -5.4833 -5.4833 1.1268 1.1268
3.1519 3.1519 3.3442 3.3442 4.7284 4.7284 4.8502 4.8502
5.6219 5.6219 8.7564 8.7564 10.2324 10.2324 11.1038 11.1038
12.3277 12.3277
k = 0.1618-0.2648-0.5105 ( 5936 PWs) bands (ev):
-45.3329 -45.3329 -17.3803 -17.3803 -17.2040 -17.2040 -17.2000 -17.2000
-8.6335 -8.6335 -8.5670 -8.5670 -7.8388 -7.8388 -7.7411 -7.7411
-7.6701 -7.6701 -6.4578 -6.4578 -5.4583 -5.4583 1.1097 1.1097
3.1013 3.1013 3.2632 3.2632 4.6675 4.6675 4.7890 4.7890
5.6221 5.6221 8.7569 8.7569 10.2861 10.2861 11.1704 11.1704
12.3248 12.3248
k = 0.1681-0.2750-0.5302 ( 5942 PWs) bands (ev):
-45.3329 -45.3329 -17.3806 -17.3806 -17.2043 -17.2043 -17.2001 -17.2001
-8.6367 -8.6367 -8.5678 -8.5678 -7.8420 -7.8420 -7.7431 -7.7431
-7.6690 -7.6690 -6.4178 -6.4178 -5.4341 -5.4341 1.0890 1.0890
3.0558 3.0558 3.1880 3.1880 4.6048 4.6048 4.7284 4.7284
5.6209 5.6209 8.7535 8.7535 10.3437 10.3437 11.2353 11.2353
12.3200 12.3200
k = 0.1743-0.2852-0.5498 ( 5946 PWs) bands (ev):
-45.3329 -45.3329 -17.3808 -17.3808 -17.2046 -17.2046 -17.2002 -17.2002
-8.6397 -8.6397 -8.5687 -8.5687 -7.8450 -7.8450 -7.7453 -7.7453
-7.6679 -7.6679 -6.3769 -6.3769 -5.4109 -5.4109 1.0648 1.0648
3.0133 3.0133 3.1204 3.1204 4.5405 4.5405 4.6690 4.6690
5.6182 5.6182 8.7471 8.7471 10.4039 10.4039 11.2982 11.2982
12.3153 12.3153
k = 0.1805-0.2953-0.5694 ( 5944 PWs) bands (ev):
-45.3329 -45.3329 -17.3809 -17.3809 -17.2049 -17.2049 -17.2003 -17.2003
-8.6426 -8.6426 -8.5697 -8.5697 -7.8478 -7.8478 -7.7475 -7.7475
-7.6669 -7.6669 -6.3353 -6.3353 -5.3888 -5.3888 1.0374 1.0374
2.9705 2.9705 3.0636 3.0636 4.4747 4.4747 4.6114 4.6114
5.6139 5.6139 8.7384 8.7384 10.4656 10.4656 11.3591 11.3591
12.3121 12.3121
k = 0.1867-0.3055-0.5891 ( 5944 PWs) bands (ev):
-45.3329 -45.3329 -17.3811 -17.3811 -17.2052 -17.2052 -17.2003 -17.2003
-8.6453 -8.6453 -8.5708 -8.5708 -7.8503 -7.8503 -7.7499 -7.7499
-7.6659 -7.6659 -6.2931 -6.2931 -5.3680 -5.3680 1.0072 1.0072
2.9239 2.9239 3.0203 3.0203 4.4077 4.4077 4.5563 4.5563
5.6077 5.6077 8.7279 8.7279 10.5277 10.5277 11.4177 11.4177
12.3118 12.3118
k = 0.1930-0.3157-0.6087 ( 5944 PWs) bands (ev):
-45.3328 -45.3328 -17.3813 -17.3813 -17.2055 -17.2055 -17.2004 -17.2004
-8.6478 -8.6478 -8.5720 -8.5720 -7.8526 -7.8526 -7.7525 -7.7525
-7.6650 -7.6650 -6.2504 -6.2504 -5.3485 -5.3485 0.9747 0.9747
2.8740 2.8740 2.9894 2.9894 4.3396 4.3396 4.5044 4.5044
5.5997 5.5997 8.7160 8.7160 10.5891 10.5891 11.4740 11.4740
12.3154 12.3154
k = 0.1992-0.3259-0.6284 ( 5940 PWs) bands (ev):
-45.3328 -45.3328 -17.3815 -17.3815 -17.2058 -17.2058 -17.2004 -17.2004
-8.6501 -8.6501 -8.5733 -8.5733 -7.8546 -7.8546 -7.7551 -7.7551
-7.6641 -7.6641 -6.2073 -6.2073 -5.3306 -5.3306 0.9403 0.9403
2.8243 2.8243 2.9667 2.9667 4.2706 4.2706 4.4564 4.4564
5.5897 5.5897 8.7031 8.7031 10.6491 10.6491 11.5278 11.5278
12.3237 12.3237
k = 0.2054-0.3361-0.6480 ( 5934 PWs) bands (ev):
-45.3328 -45.3328 -17.3816 -17.3816 -17.2060 -17.2060 -17.2005 -17.2005
-8.6521 -8.6521 -8.5747 -8.5747 -7.8563 -7.8563 -7.7579 -7.7579
-7.6633 -7.6633 -6.1640 -6.1640 -5.3143 -5.3143 0.9047 0.9047
2.7773 2.7773 2.9488 2.9488 4.2009 4.2009 4.4131 4.4131
5.5776 5.5776 8.6892 8.6892 10.7067 10.7067 11.5792 11.5792
12.3372 12.3372
k = 0.2116-0.3463-0.6676 ( 5932 PWs) bands (ev):
-45.3328 -45.3328 -17.3818 -17.3818 -17.2063 -17.2063 -17.2006 -17.2006
-8.6539 -8.6539 -8.5762 -8.5762 -7.8578 -7.8578 -7.7608 -7.7608
-7.6625 -7.6625 -6.1205 -6.1205 -5.2997 -5.2997 0.8685 0.8685
2.7342 2.7342 2.9335 2.9335 4.1305 4.1305 4.3753 4.3753
5.5634 5.5634 8.6746 8.6746 10.7611 10.7611 11.6281 11.6281
12.3559 12.3559
k = 0.2179-0.3564-0.6873 ( 5932 PWs) bands (ev):
-45.3328 -45.3328 -17.3819 -17.3819 -17.2065 -17.2065 -17.2006 -17.2006
-8.6554 -8.6554 -8.5778 -8.5778 -7.8590 -7.8590 -7.7639 -7.7639
-7.6618 -7.6618 -6.0771 -6.0771 -5.2869 -5.2869 0.8320 0.8320
2.6958 2.6958 2.9192 2.9192 4.0597 4.0597 4.3437 4.3437
5.5472 5.5472 8.6593 8.6593 10.8117 10.8117 11.6746 11.6746
12.3796 12.3796
k = 0.2241-0.3666-0.7069 ( 5936 PWs) bands (ev):
-45.3328 -45.3328 -17.3821 -17.3821 -17.2067 -17.2067 -17.2007 -17.2007
-8.6566 -8.6566 -8.5796 -8.5796 -7.8600 -7.8600 -7.7670 -7.7670
-7.6611 -7.6611 -6.0337 -6.0337 -5.2761 -5.2761 0.7958 0.7958
2.6624 2.6624 2.9047 2.9047 3.9886 3.9886 4.3189 4.3189
5.5288 5.5288 8.6433 8.6433 10.8574 10.8574 11.7190 11.7190
12.4077 12.4077
k = 0.2303-0.3768-0.7265 ( 5930 PWs) bands (ev):
-45.3327 -45.3327 -17.3822 -17.3822 -17.2069 -17.2069 -17.2008 -17.2008
-8.6575 -8.6575 -8.5814 -8.5814 -7.8607 -7.8607 -7.7703 -7.7703
-7.6605 -7.6605 -5.9907 -5.9907 -5.2673 -5.2673 0.7605 0.7605
2.6343 2.6343 2.8893 2.8893 3.9175 3.9175 4.3013 4.3013
5.5085 5.5085 8.6268 8.6268 10.8976 10.8976 11.7613 11.7613
12.4389 12.4389
k = 0.2365-0.3870-0.7462 ( 5930 PWs) bands (ev):
-45.3327 -45.3327 -17.3823 -17.3823 -17.2071 -17.2071 -17.2008 -17.2008
-8.6581 -8.6581 -8.5834 -8.5834 -7.8612 -7.8612 -7.7737 -7.7737
-7.6600 -7.6600 -5.9479 -5.9479 -5.2605 -5.2605 0.7263 0.7263
2.6115 2.6115 2.8722 2.8722 3.8463 3.8463 4.2913 4.2913
5.4862 5.4862 8.6097 8.6097 10.9316 10.9316 11.8015 11.8015
12.4719 12.4719
k = 0.2428-0.3972-0.7658 ( 5928 PWs) bands (ev):
-45.3327 -45.3327 -17.3825 -17.3825 -17.2073 -17.2073 -17.2009 -17.2009
-8.6584 -8.6584 -8.5855 -8.5855 -7.8613 -7.8613 -7.7772 -7.7772
-7.6595 -7.6595 -5.9057 -5.9057 -5.2559 -5.2559 0.6936 0.6936
2.5940 2.5940 2.8532 2.8532 3.7754 3.7754 4.2889 4.2889
5.4620 5.4620 8.5920 8.5920 10.9588 10.9588 11.8391 11.8391
12.5043 12.5043
k = 0.2490-0.4074-0.7854 ( 5934 PWs) bands (ev):
-45.3327 -45.3327 -17.3826 -17.3826 -17.2074 -17.2074 -17.2010 -17.2010
-8.6584 -8.6584 -8.5877 -8.5877 -7.8613 -7.8613 -7.7808 -7.7808
-7.6591 -7.6591 -5.8642 -5.8642 -5.2534 -5.2534 0.6627 0.6627
2.5820 2.5820 2.8322 2.8322 3.7050 3.7050 4.2940 4.2940
5.4361 5.4361 8.5739 8.5739 10.9788 10.9788 11.8735 11.8735
12.5337 12.5337
k = 0.2552-0.4175-0.8051 ( 5954 PWs) bands (ev):
-45.3327 -45.3327 -17.3827 -17.3827 -17.2077 -17.2077 -17.2011 -17.2011
-8.6580 -8.6580 -8.5900 -8.5900 -7.8609 -7.8609 -7.7845 -7.7845
-7.6587 -7.6587 -5.8234 -5.8234 -5.2530 -5.2530 0.6340 0.6340
2.5752 2.5752 2.8094 2.8094 3.6351 3.6351 4.3063 4.3063
5.4086 5.4086 8.5552 8.5552 10.9915 10.9915 11.9030 11.9030
12.5576 12.5576
k = 0.2614-0.4277-0.8247 ( 5950 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2078 -17.2078 -17.2012 -17.2012
-8.6573 -8.6573 -8.5925 -8.5925 -7.8603 -7.8603 -7.7882 -7.7882
-7.6583 -7.6583 -5.7835 -5.7835 -5.2548 -5.2548 0.6074 0.6074
2.5735 2.5735 2.7851 2.7851 3.5662 3.5662 4.3252 4.3252
5.3796 5.3796 8.5361 8.5361 10.9968 10.9968 11.9255 11.9255
12.5754 12.5754
k = 0.2677-0.4379-0.8443 ( 5944 PWs) bands (ev):
-45.3327 -45.3327 -17.3829 -17.3829 -17.2079 -17.2079 -17.2012 -17.2012
-8.6564 -8.6564 -8.5950 -8.5950 -7.8595 -7.8595 -7.7921 -7.7921
-7.6581 -7.6581 -5.7445 -5.7445 -5.2588 -5.2588 0.5832 0.5832
2.5766 2.5766 2.7601 2.7601 3.4984 3.4984 4.3501 4.3501
5.3493 5.3493 8.5166 8.5166 10.9953 10.9953 11.9382 11.9382
12.5897 12.5897
k = 0.2739-0.4481-0.8640 ( 5942 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2079 -17.2079 -17.2013 -17.2013
-8.6551 -8.6551 -8.5977 -8.5977 -7.8583 -7.8583 -7.7960 -7.7960
-7.6578 -7.6578 -5.7067 -5.7067 -5.2648 -5.2648 0.5615 0.5615
2.5841 2.5841 2.7350 2.7350 3.4321 3.4321 4.3804 4.3804
5.3179 5.3179 8.4966 8.4966 10.9875 10.9875 11.9384 11.9384
12.6047 12.6047
k = 0.2801-0.4583-0.8836 ( 5938 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2080 -17.2080 -17.2013 -17.2013
-8.6535 -8.6535 -8.6005 -8.6005 -7.8569 -7.8569 -7.7999 -7.7999
-7.6576 -7.6576 -5.6701 -5.6701 -5.2730 -5.2730 0.5423 0.5423
2.5951 2.5951 2.7110 2.7110 3.3677 3.3677 4.4154 4.4154
5.2856 5.2856 8.4763 8.4763 10.9744 10.9744 11.9243 11.9243
12.6240 12.6240
k = 0.2863-0.4685-0.9033 ( 5934 PWs) bands (ev):
-45.3327 -45.3327 -17.3831 -17.3831 -17.2081 -17.2081 -17.2014 -17.2014
-8.6516 -8.6516 -8.6034 -8.6034 -7.8553 -7.8553 -7.8039 -7.8039
-7.6575 -7.6575 -5.6348 -5.6348 -5.2832 -5.2832 0.5255 0.5255
2.6075 2.6075 2.6902 2.6902 3.3058 3.3058 4.4543 4.4543
5.2525 5.2525 8.4556 8.4556 10.9568 10.9568 11.8959 11.8959
12.6471 12.6471
k = 0.2926-0.4786-0.9229 ( 5934 PWs) bands (ev):
-45.3327 -45.3327 -17.3831 -17.3831 -17.2081 -17.2081 -17.2014 -17.2014
-8.6494 -8.6494 -8.6064 -8.6064 -7.8533 -7.8533 -7.8079 -7.8079
-7.6574 -7.6574 -5.6008 -5.6008 -5.2953 -5.2953 0.5110 0.5110
2.6163 2.6163 2.6773 2.6773 3.2472 3.2472 4.4964 4.4964
5.2191 5.2191 8.4346 8.4346 10.9360 10.9360 11.8551 11.8551
12.6692 12.6692
k = 0.2988-0.4888-0.9425 ( 5940 PWs) bands (ev):
-45.3327 -45.3327 -17.3832 -17.3832 -17.2082 -17.2082 -17.2015 -17.2015
-8.6470 -8.6470 -8.6095 -8.6095 -7.8511 -7.8511 -7.8120 -7.8120
-7.6573 -7.6573 -5.5683 -5.5683 -5.3093 -5.3093 0.4988 0.4988
2.6135 2.6135 2.6796 2.6796 3.1935 3.1935 4.5411 4.5411
5.1853 5.1853 8.4131 8.4131 10.9129 10.9129 11.8042 11.8042
12.6884 12.6884
k = 0.3050-0.4990-0.9622 ( 5944 PWs) bands (ev):
-45.3327 -45.3327 -17.3832 -17.3832 -17.2082 -17.2082 -17.2016 -17.2016
-8.6444 -8.6444 -8.6127 -8.6127 -7.8486 -7.8486 -7.8160 -7.8160
-7.6572 -7.6572 -5.5372 -5.5372 -5.3250 -5.3250 0.4887 0.4887
2.6020 2.6020 2.6925 2.6925 3.1466 3.1466 4.5878 4.5878
5.1516 5.1516 8.3911 8.3911 10.8887 10.8887 11.7460 11.7460
12.7047 12.7047
k = 0.3112-0.5092-0.9818 ( 5940 PWs) bands (ev):
-45.3327 -45.3327 -17.3833 -17.3833 -17.2082 -17.2082 -17.2016 -17.2016
-8.6415 -8.6415 -8.6160 -8.6160 -7.8459 -7.8459 -7.8200 -7.8200
-7.6572 -7.6572 -5.5077 -5.5077 -5.3424 -5.3424 0.4804 0.4804
2.5894 2.5894 2.7054 2.7054 3.1101 3.1101 4.6357 4.6357
5.1183 5.1183 8.3686 8.3686 10.8644 10.8644 11.6825 11.6825
12.7169 12.7169
k = 0.3175-0.5194-1.0014 ( 5936 PWs) bands (ev):
-45.3326 -45.3326 -17.3833 -17.3833 -17.2082 -17.2082 -17.2016 -17.2016
-8.6386 -8.6386 -8.6192 -8.6192 -7.8429 -7.8429 -7.8240 -7.8240
-7.6571 -7.6571 -5.4798 -5.4798 -5.3613 -5.3613 0.4737 0.4737
2.5789 2.5789 2.7110 2.7110 3.0883 3.0883 4.6844 4.6844
5.0855 5.0855 8.3453 8.3453 10.8408 10.8408 11.6153 11.6153
12.7232 12.7232
k = 0.3237-0.5296-1.0211 ( 5938 PWs) bands (ev):
-45.3326 -45.3326 -17.3833 -17.3833 -17.2082 -17.2082 -17.2017 -17.2017
-8.6356 -8.6356 -8.6224 -8.6224 -7.8396 -7.8396 -7.8280 -7.8280
-7.6571 -7.6571 -5.4535 -5.4535 -5.3817 -5.3817 0.4684 0.4684
2.5719 2.5719 2.7044 2.7044 3.0852 3.0852 4.7332 4.7332
5.0537 5.0537 8.3212 8.3212 10.8190 10.8190 11.5456 11.5456
12.7212 12.7212
k = 0.3299-0.5398-1.0407 ( 5938 PWs) bands (ev):
-45.3326 -45.3326 -17.3833 -17.3833 -17.2082 -17.2082 -17.2017 -17.2017
-8.6331 -8.6331 -8.6249 -8.6249 -7.8361 -7.8361 -7.8318 -7.8318
-7.6571 -7.6571 -5.4287 -5.4287 -5.4033 -5.4033 0.4642 0.4642
2.5690 2.5690 2.6847 2.6847 3.1013 3.1013 4.7816 4.7816
5.0235 5.0235 8.2959 8.2959 10.7996 10.7996 11.4743 11.4743
12.7088 12.7088
k = 0.3361-0.5499-1.0603 ( 5938 PWs) bands (ev):
-45.3326 -45.3326 -17.3833 -17.3833 -17.2082 -17.2082 -17.2017 -17.2017
-8.6330 -8.6330 -8.6251 -8.6251 -7.8358 -7.8358 -7.8321 -7.8321
-7.6571 -7.6571 -5.4262 -5.4262 -5.4055 -5.4055 0.4607 0.4607
2.5700 2.5700 2.6552 2.6552 3.1334 3.1334 4.8284 4.8284
4.9957 4.9957 8.2692 8.2692 10.7835 10.7835 11.4019 11.4019
12.6838 12.6838
k = 0.3424-0.5601-1.0800 ( 5932 PWs) bands (ev):
-45.3326 -45.3326 -17.3833 -17.3833 -17.2082 -17.2082 -17.2016 -17.2016
-8.6355 -8.6355 -8.6225 -8.6225 -7.8395 -7.8395 -7.8281 -7.8281
-7.6571 -7.6571 -5.4499 -5.4499 -5.3840 -5.3840 0.4578 0.4578
2.5717 2.5717 2.6234 2.6234 3.1773 3.1773 4.8711 4.8711
4.9728 4.9728 8.2408 8.2408 10.7712 10.7712 11.3289 11.3289
12.6447 12.6447
k = 0.6576-0.4194-0.9945 ( 5932 PWs) bands (ev):
-45.3326 -45.3326 -17.3833 -17.3833 -17.2082 -17.2082 -17.2016 -17.2016
-8.6355 -8.6355 -8.6225 -8.6225 -7.8395 -7.8395 -7.8281 -7.8281
-7.6571 -7.6571 -5.4499 -5.4499 -5.3840 -5.3840 0.4578 0.4578
2.5717 2.5717 2.6234 2.6234 3.1773 3.1773 4.8711 4.8711
4.9728 4.9728 8.2408 8.2408 10.7712 10.7712 11.3289 11.3289
12.6447 12.6447
k = 0.6513-0.3970-0.9945 ( 5918 PWs) bands (ev):
-45.3326 -45.3326 -17.3832 -17.3832 -17.2082 -17.2082 -17.2016 -17.2016
-8.6389 -8.6389 -8.6190 -8.6190 -7.8433 -7.8433 -7.8237 -7.8237
-7.6571 -7.6571 -5.4749 -5.4749 -5.3637 -5.3637 0.4551 0.4551
2.5558 2.5558 2.6108 2.6108 3.2300 3.2300 4.8996 4.8996
4.9655 4.9655 8.2100 8.2100 10.7633 10.7633 11.2545 11.2545
12.5900 12.5900
k = 0.6450-0.3746-0.9945 ( 5920 PWs) bands (ev):
-45.3326 -45.3326 -17.3832 -17.3832 -17.2082 -17.2082 -17.2016 -17.2016
-8.6426 -8.6426 -8.6152 -8.6152 -7.8469 -7.8469 -7.8190 -7.8190
-7.6571 -7.6571 -5.5006 -5.5006 -5.3449 -5.3449 0.4523 0.4523
2.5177 2.5177 2.6246 2.6246 3.2884 3.2884 4.8971 4.8971
4.9903 4.9903 8.1768 8.1768 10.7603 10.7603 11.1801 11.1801
12.5203 12.5203
k = 0.6387-0.3522-0.9945 ( 5922 PWs) bands (ev):
-45.3326 -45.3326 -17.3832 -17.3832 -17.2082 -17.2082 -17.2015 -17.2015
-8.6463 -8.6463 -8.6113 -8.6113 -7.8504 -7.8504 -7.8142 -7.8142
-7.6571 -7.6571 -5.5269 -5.5269 -5.3277 -5.3277 0.4494 0.4494
2.4743 2.4743 2.6495 2.6495 3.3505 3.3505 4.8824 4.8824
5.0287 5.0287 8.1407 8.1407 10.7624 10.7624 11.1059 11.1059
12.4368 12.4368
k = 0.6324-0.3298-0.9945 ( 5918 PWs) bands (ev):
-45.3326 -45.3326 -17.3832 -17.3832 -17.2082 -17.2082 -17.2014 -17.2014
-8.6501 -8.6501 -8.6073 -8.6073 -7.8538 -7.8538 -7.8091 -7.8091
-7.6570 -7.6570 -5.5535 -5.5535 -5.3119 -5.3119 0.4461 0.4461
2.4302 2.4302 2.6817 2.6817 3.4148 3.4148 4.8680 4.8680
5.0687 5.0687 8.1013 8.1013 10.7689 10.7689 11.0328 11.0328
12.3418 12.3418
k = 0.6261-0.3074-0.9945 ( 5930 PWs) bands (ev):
-45.3327 -45.3327 -17.3832 -17.3832 -17.2082 -17.2082 -17.2014 -17.2014
-8.6539 -8.6539 -8.6033 -8.6033 -7.8571 -7.8571 -7.8038 -7.8038
-7.6569 -7.6569 -5.5804 -5.5804 -5.2975 -5.2975 0.4423 0.4423
2.3864 2.3864 2.7207 2.7207 3.4797 3.4797 4.8570 4.8570
5.1076 5.1076 8.0585 8.0585 10.7774 10.7774 10.9636 10.9636
12.2376 12.2376
k = 0.6198-0.2850-0.9945 ( 5920 PWs) bands (ev):
-45.3326 -45.3326 -17.3831 -17.3831 -17.2082 -17.2082 -17.2013 -17.2013
-8.6577 -8.6577 -8.5994 -8.5994 -7.8602 -7.8602 -7.7984 -7.7984
-7.6568 -7.6568 -5.6074 -5.6074 -5.2844 -5.2844 0.4380 0.4380
2.3437 2.3437 2.7660 2.7660 3.5441 3.5441 4.8508 4.8508
5.1447 5.1447 8.0117 8.0117 10.7773 10.7773 10.9090 10.9090
12.1271 12.1271
k = 0.6135-0.2626-0.9945 ( 5922 PWs) bands (ev):
-45.3327 -45.3327 -17.3831 -17.3831 -17.2082 -17.2082 -17.2012 -17.2012
-8.6614 -8.6614 -8.5954 -8.5954 -7.8632 -7.8632 -7.7928 -7.7928
-7.6567 -7.6567 -5.6342 -5.6342 -5.2725 -5.2725 0.4330 0.4330
2.3024 2.3024 2.8172 2.8172 3.6066 3.6066 4.8503 4.8503
5.1796 5.1796 7.9609 7.9609 10.7435 10.7435 10.8936 10.8936
12.0129 12.0129
k = 0.6072-0.2402-0.9945 ( 5920 PWs) bands (ev):
-45.3327 -45.3327 -17.3831 -17.3831 -17.2082 -17.2082 -17.2011 -17.2011
-8.6651 -8.6651 -8.5916 -8.5916 -7.8661 -7.8661 -7.7871 -7.7871
-7.6565 -7.6565 -5.6609 -5.6609 -5.2618 -5.2618 0.4275 0.4275
2.2626 2.2626 2.8740 2.8740 3.6659 3.6659 4.8565 4.8565
5.2123 5.2123 7.9059 7.9059 10.6786 10.6786 10.9146 10.9146
11.8976 11.8976
k = 0.6009-0.2178-0.9945 ( 5928 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2083 -17.2083 -17.2010 -17.2010
-8.6687 -8.6687 -8.5879 -8.5879 -7.8688 -7.8688 -7.7813 -7.7813
-7.6563 -7.6563 -5.6871 -5.6871 -5.2522 -5.2522 0.4215 0.4215
2.2246 2.2246 2.9358 2.9358 3.7208 3.7208 4.8701 4.8701
5.2427 5.2427 7.8467 7.8467 10.6021 10.6021 10.9520 10.9520
11.7836 11.7836
k = 0.5946-0.1954-0.9945 ( 5936 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2083 -17.2083 -17.2009 -17.2009
-8.6722 -8.6722 -8.5843 -8.5843 -7.8713 -7.8713 -7.7756 -7.7756
-7.6560 -7.6560 -5.7127 -5.7127 -5.2437 -5.2437 0.4151 0.4151
2.1885 2.1885 3.0022 3.0022 3.7703 3.7703 4.8915 4.8915
5.2708 5.2708 7.7835 7.7835 10.5204 10.5204 10.9983 10.9983
11.6732 11.6732
k = 0.5883-0.1730-0.9945 ( 5936 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2084 -17.2084 -17.2008 -17.2008
-8.6756 -8.6756 -8.5809 -8.5809 -7.8737 -7.8737 -7.7698 -7.7698
-7.6557 -7.6557 -5.7376 -5.7376 -5.2361 -5.2361 0.4083 0.4083
2.1545 2.1545 3.0725 3.0725 3.8139 3.8139 4.9208 4.9208
5.2968 5.2968 7.7164 7.7164 10.4357 10.4357 11.0501 11.0501
11.5687 11.5687
k = 0.5820-0.1506-0.9945 ( 5946 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2084 -17.2084 -17.2007 -17.2007
-8.6789 -8.6789 -8.5776 -8.5776 -7.8759 -7.8759 -7.7642 -7.7642
-7.6554 -7.6554 -5.7616 -5.7616 -5.2293 -5.2293 0.4013 0.4013
2.1225 2.1225 3.1459 3.1459 3.8511 3.8511 4.9575 4.9575
5.3209 5.3209 7.6459 7.6459 10.3487 10.3487 11.1034 11.1034
11.4742 11.4742
k = 0.5757-0.1281-0.9945 ( 5954 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2085 -17.2085 -17.2006 -17.2006
-8.6820 -8.6820 -8.5745 -8.5745 -7.8779 -7.8779 -7.7586 -7.7586
-7.6549 -7.6549 -5.7846 -5.7846 -5.2234 -5.2234 0.3943 0.3943
2.0926 2.0926 3.2215 3.2215 3.8821 3.8821 5.0005 5.0005
5.3434 5.3434 7.5728 7.5728 10.2601 10.2601 11.1484 11.1484
11.3992 11.3992
k = 0.5694-0.1057-0.9945 ( 5960 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2085 -17.2085 -17.2005 -17.2005
-8.6849 -8.6849 -8.5716 -8.5716 -7.8798 -7.8798 -7.7533 -7.7533
-7.6545 -7.6545 -5.8064 -5.8064 -5.2182 -5.2182 0.3872 0.3872
2.0650 2.0650 3.2983 3.2983 3.9077 3.9077 5.0482 5.0482
5.3649 5.3649 7.4976 7.4976 10.1706 10.1706 11.1591 11.1591
11.3689 11.3689
k = 0.5631-0.0833-0.9945 ( 5964 PWs) bands (ev):
-45.3327 -45.3327 -17.3830 -17.3830 -17.2086 -17.2086 -17.2004 -17.2004
-8.6876 -8.6876 -8.5690 -8.5690 -7.8815 -7.8815 -7.7483 -7.7483
-7.6540 -7.6540 -5.8269 -5.8269 -5.2136 -5.2136 0.3804 0.3804
2.0396 2.0396 3.3751 3.3751 3.9287 3.9287 5.0982 5.0982
5.3861 5.3861 7.4215 7.4215 10.0812 10.0812 11.1202 11.1202
11.3977 11.3977
k = 0.5567-0.0609-0.9945 ( 5968 PWs) bands (ev):
-45.3327 -45.3327 -17.3829 -17.3829 -17.2086 -17.2086 -17.2003 -17.2003
-8.6902 -8.6902 -8.5665 -8.5665 -7.8831 -7.8831 -7.7435 -7.7435
-7.6534 -7.6534 -5.8459 -5.8459 -5.2097 -5.2097 0.3738 0.3738
2.0166 2.0166 3.4505 3.4505 3.9462 3.9462 5.1476 5.1476
5.4082 5.4082 7.3456 7.3456 9.9931 9.9931 11.0608 11.0608
11.4534 11.4534
k = 0.5504-0.0385-0.9945 ( 5972 PWs) bands (ev):
-45.3327 -45.3327 -17.3829 -17.3829 -17.2087 -17.2087 -17.2002 -17.2002
-8.6925 -8.6925 -8.5643 -8.5643 -7.8844 -7.8844 -7.7391 -7.7391
-7.6528 -7.6528 -5.8632 -5.8632 -5.2064 -5.2064 0.3676 0.3676
1.9959 1.9959 3.5229 3.5229 3.9615 3.9615 5.1933 5.1933
5.4325 5.4325 7.2713 7.2713 9.9076 9.9076 11.0000 11.0000
11.5110 11.5110
k = 0.5441-0.0161-0.9945 ( 5970 PWs) bands (ev):
-45.3327 -45.3327 -17.3829 -17.3829 -17.2087 -17.2087 -17.2001 -17.2001
-8.6945 -8.6945 -8.5623 -8.5623 -7.8857 -7.8857 -7.7352 -7.7352
-7.6523 -7.6523 -5.8789 -5.8789 -5.2035 -5.2035 0.3618 0.3618
1.9775 1.9775 3.5904 3.5904 3.9760 3.9760 5.2322 5.2322
5.4604 5.4604 7.1999 7.1999 9.8263 9.8263 10.9437 10.9437
11.5500 11.5500
k = 0.5378 0.0063-0.9945 ( 5964 PWs) bands (ev):
-45.3327 -45.3327 -17.3829 -17.3829 -17.2087 -17.2087 -17.2000 -17.2000
-8.6963 -8.6963 -8.5606 -8.5606 -7.8867 -7.8867 -7.7316 -7.7316
-7.6517 -7.6517 -5.8927 -5.8927 -5.2011 -5.2011 0.3567 0.3567
1.9616 1.9616 3.6508 3.6508 3.9907 3.9907 5.2621 5.2621
5.4920 5.4920 7.1332 7.1332 9.7509 9.7509 10.8939 10.8939
11.5538 11.5538
k = 0.5315 0.0287-0.9945 ( 5954 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1999 -17.1999
-8.6979 -8.6979 -8.5592 -8.5592 -7.8876 -7.8876 -7.7286 -7.7286
-7.6511 -7.6511 -5.9046 -5.9046 -5.1992 -5.1992 0.3522 0.3522
1.9480 1.9480 3.7021 3.7021 4.0066 4.0066 5.2833 5.2833
5.5258 5.5258 7.0729 7.0729 9.6830 9.6830 10.8514 10.8514
11.5352 11.5352
k = 0.5252 0.0511-0.9945 ( 5962 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1998 -17.1998
-8.6992 -8.6992 -8.5580 -8.5580 -7.8883 -7.8883 -7.7261 -7.7261
-7.6506 -7.6506 -5.9145 -5.9145 -5.1977 -5.1977 0.3484 0.3484
1.9369 1.9369 3.7429 3.7429 4.0239 4.0239 5.2971 5.2971
5.5588 5.5588 7.0206 7.0206 9.6246 9.6246 10.8164 10.8164
11.5120 11.5120
k = 0.5189 0.0735-0.9945 ( 5964 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1998 -17.1998
-8.7002 -8.7002 -8.5570 -8.5570 -7.8889 -7.8889 -7.7242 -7.7242
-7.6502 -7.6502 -5.9222 -5.9222 -5.1965 -5.1965 0.3455 0.3455
1.9283 1.9283 3.7728 3.7728 4.0413 4.0413 5.3055 5.3055
5.5880 5.5880 6.9779 6.9779 9.5771 9.5771 10.7892 10.7892
11.4916 11.4916
k = 0.5126 0.0959-0.9945 ( 5958 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7009 -8.7009 -8.5563 -8.5563 -7.8893 -7.8893 -7.7228 -7.7228
-7.6498 -7.6498 -5.9278 -5.9278 -5.1957 -5.1957 0.3433 0.3433
1.9221 1.9221 3.7926 3.7926 4.0566 4.0566 5.3103 5.3103
5.6106 5.6106 6.9463 6.9463 9.5421 9.5421 10.7697 10.7697
11.4762 11.4762
k = 0.5063 0.1183-0.9945 ( 5958 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1997 -17.1997
-8.7014 -8.7014 -8.5559 -8.5559 -7.8895 -7.8895 -7.7219 -7.7219
-7.6496 -7.6496 -5.9311 -5.9311 -5.1952 -5.1952 0.3420 0.3420
1.9184 1.9184 3.8037 3.8037 4.0671 4.0671 5.3127 5.3127
5.6249 5.6249 6.9269 6.9269 9.5206 9.5206 10.7580 10.7580
11.4668 11.4668
k = 0.5000 0.1407-0.9945 ( 5964 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1997 -17.1997
-8.7015 -8.7015 -8.5558 -8.5558 -7.8896 -7.8896 -7.7216 -7.7216
-7.6496 -7.6496 -5.9323 -5.9323 -5.1950 -5.1950 0.3416 0.3416
1.9171 1.9171 3.8073 3.8073 4.0709 4.0709 5.3134 5.3134
5.6298 5.6298 6.9203 6.9203 9.5134 9.5134 10.7541 10.7541
11.4636 11.4636
k = 0.5000 0.1407-0.9945 ( 5964 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1997 -17.1997
-8.7015 -8.7015 -8.5558 -8.5558 -7.8896 -7.8896 -7.7216 -7.7216
-7.6496 -7.6496 -5.9323 -5.9323 -5.1950 -5.1950 0.3416 0.3416
1.9171 1.9171 3.8073 3.8073 4.0709 4.0709 5.3134 5.3134
5.6298 5.6298 6.9203 6.9203 9.5134 9.5134 10.7541 10.7541
11.4636 11.4636
k = 0.5197 0.1463-0.9838 ( 5958 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1997 -17.1997
-8.7015 -8.7015 -8.5558 -8.5558 -7.8896 -7.8896 -7.7216 -7.7216
-7.6496 -7.6496 -5.9323 -5.9323 -5.1953 -5.1953 0.3421 0.3421
1.9181 1.9181 3.8072 3.8072 4.0707 4.0707 5.3097 5.3097
5.6284 5.6284 6.9230 6.9230 9.5191 9.5191 10.7557 10.7557
11.4609 11.4609
k = 0.5394 0.1518-0.9731 ( 5962 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1997 -17.1997
-8.7014 -8.7014 -8.5558 -8.5558 -7.8896 -7.8896 -7.7217 -7.7217
-7.6496 -7.6496 -5.9323 -5.9323 -5.1962 -5.1962 0.3439 0.3439
1.9212 1.9212 3.8069 3.8069 4.0700 4.0700 5.2989 5.2989
5.6243 5.6243 6.9311 6.9311 9.5361 9.5361 10.7605 10.7605
11.4530 11.4530
k = 0.5591 0.1573-0.9624 ( 5961 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1997 -17.1997
-8.7014 -8.7014 -8.5558 -8.5558 -7.8895 -7.8895 -7.7217 -7.7217
-7.6496 -7.6496 -5.9324 -5.9324 -5.1977 -5.1977 0.3467 0.3467
1.9262 1.9262 3.8064 3.8064 4.0689 4.0689 5.2808 5.2808
5.6178 5.6178 6.9445 6.9445 9.5638 9.5638 10.7683 10.7683
11.4407 11.4407
k = 0.5788 0.1629-0.9517 ( 5963 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1997 -17.1997
-8.7013 -8.7013 -8.5558 -8.5558 -7.8895 -7.8895 -7.7217 -7.7217
-7.6496 -7.6496 -5.9325 -5.9325 -5.1998 -5.1998 0.3507 0.3507
1.9332 1.9332 3.8056 3.8056 4.0676 4.0676 5.2557 5.2557
5.6096 5.6096 6.9630 6.9630 9.6015 9.6015 10.7788 10.7788
11.4252 11.4252
k = 0.5985 0.1684-0.9410 ( 5963 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7011 -8.7011 -8.5558 -8.5558 -7.8894 -7.8894 -7.7217 -7.7217
-7.6497 -7.6497 -5.9327 -5.9327 -5.2023 -5.2023 0.3558 0.3558
1.9419 1.9419 3.8046 3.8046 4.0662 4.0662 5.2238 5.2238
5.6000 5.6000 6.9864 6.9864 9.6479 9.6479 10.7914 10.7914
11.4084 11.4084
k = 0.6182 0.1740-0.9303 ( 5961 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7010 -8.7010 -8.5558 -8.5558 -7.8894 -7.8894 -7.7217 -7.7217
-7.6497 -7.6497 -5.9331 -5.9331 -5.2053 -5.2053 0.3620 0.3620
1.9524 1.9524 3.8033 3.8033 4.0647 4.0647 5.1856 5.1856
5.5897 5.5897 7.0144 7.0144 9.7017 9.7017 10.8055 10.8055
11.3926 11.3926
k = 0.6379 0.1795-0.9196 ( 5964 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7008 -8.7008 -8.5558 -8.5558 -7.8893 -7.8893 -7.7217 -7.7217
-7.6498 -7.6498 -5.9337 -5.9337 -5.2087 -5.2087 0.3692 0.3692
1.9644 1.9644 3.8016 3.8016 4.0634 4.0634 5.1420 5.1420
5.5789 5.5789 7.0466 7.0466 9.7610 9.7610 10.8205 10.8205
11.3804 11.3804
k = 0.6576 0.1851-0.9089 ( 5968 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7006 -8.7006 -8.5559 -8.5559 -7.8892 -7.8892 -7.7217 -7.7217
-7.6499 -7.6499 -5.9345 -5.9345 -5.2123 -5.2123 0.3773 0.3773
1.9777 1.9777 3.7995 3.7995 4.0624 4.0624 5.0939 5.0939
5.5680 5.5680 7.0826 7.0826 9.8239 9.8239 10.8357 10.8357
11.3746 11.3746
k = 0.6576 0.1851-0.9089 ( 5968 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7006 -8.7006 -8.5559 -8.5559 -7.8892 -7.8892 -7.7217 -7.7217
-7.6499 -7.6499 -5.9345 -5.9345 -5.2123 -5.2123 0.3773 0.3773
1.9777 1.9777 3.7995 3.7995 4.0624 4.0624 5.0939 5.0939
5.5680 5.5680 7.0826 7.0826 9.8239 9.8239 10.8357 10.8357
11.3746 11.3746
k = 0.6540 0.1841-0.8863 ( 5976 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.6996 -8.6996 -8.5559 -8.5559 -7.8887 -7.8887 -7.7218 -7.7218
-7.6502 -7.6502 -5.9430 -5.9430 -5.2189 -5.2189 0.3893 0.3893
1.9936 1.9936 3.8141 3.8141 4.0759 4.0759 5.0698 5.0698
5.5685 5.5685 7.0907 7.0907 9.8461 9.8461 10.8135 10.8135
11.3936 11.3936
k = 0.6505 0.1831-0.8637 ( 5979 PWs) bands (ev):
-45.3328 -45.3328 -17.3827 -17.3827 -17.2086 -17.2086 -17.1998 -17.1998
-8.6983 -8.6983 -8.5560 -8.5560 -7.8880 -7.8880 -7.7219 -7.7219
-7.6506 -7.6506 -5.9548 -5.9548 -5.2268 -5.2268 0.4063 0.4063
2.0139 2.0139 3.8287 3.8287 4.0901 4.0901 5.0451 5.0451
5.5699 5.5699 7.1049 7.1049 9.8691 9.8691 10.7960 10.7960
11.4170 11.4170
k = 0.6469 0.1820-0.8411 ( 5979 PWs) bands (ev):
-45.3328 -45.3328 -17.3826 -17.3826 -17.2085 -17.2085 -17.1998 -17.1998
-8.6967 -8.6967 -8.5561 -8.5561 -7.8871 -7.8871 -7.7220 -7.7220
-7.6511 -7.6511 -5.9698 -5.9698 -5.2362 -5.2362 0.4279 0.4279
2.0386 2.0386 3.8436 3.8436 4.1048 4.1048 5.0197 5.0197
5.5724 5.5724 7.1251 7.1251 9.8930 9.8930 10.7834 10.7834
11.4446 11.4446
k = 0.6433 0.1810-0.8185 ( 5958 PWs) bands (ev):
-45.3328 -45.3328 -17.3825 -17.3825 -17.2082 -17.2082 -17.1997 -17.1997
-8.6947 -8.6947 -8.5562 -8.5562 -7.8860 -7.8860 -7.7221 -7.7221
-7.6517 -7.6517 -5.9877 -5.9877 -5.2470 -5.2470 0.4542 0.4542
2.0675 2.0675 3.8588 3.8588 4.1199 4.1199 4.9935 4.9935
5.5757 5.5757 7.1512 7.1512 9.9178 9.9178 10.7759 10.7759
11.4760 11.4760
k = 0.6397 0.1800-0.7959 ( 5956 PWs) bands (ev):
-45.3328 -45.3328 -17.3824 -17.3824 -17.2081 -17.2081 -17.1997 -17.1997
-8.6925 -8.6925 -8.5563 -8.5563 -7.8847 -7.8847 -7.7223 -7.7223
-7.6524 -7.6524 -6.0084 -6.0084 -5.2593 -5.2593 0.4848 0.4848
2.1007 2.1007 3.8746 3.8746 4.1354 4.1354 4.9667 4.9667
5.5800 5.5800 7.1834 7.1834 9.9434 9.9434 10.7734 10.7734
11.5110 11.5110
k = 0.6361 0.1790-0.7733 ( 5966 PWs) bands (ev):
-45.3328 -45.3328 -17.3823 -17.3823 -17.2079 -17.2079 -17.1998 -17.1998
-8.6900 -8.6900 -8.5564 -8.5564 -7.8832 -7.8832 -7.7224 -7.7224
-7.6532 -7.6532 -6.0316 -6.0316 -5.2731 -5.2731 0.5194 0.5194
2.1379 2.1379 3.8911 3.8911 4.1515 4.1515 4.9391 4.9391
5.5852 5.5852 7.2213 7.2213 9.9697 9.9697 10.7761 10.7761
11.5496 11.5496
k = 0.6326 0.1780-0.7507 ( 5962 PWs) bands (ev):
-45.3328 -45.3328 -17.3822 -17.3822 -17.2077 -17.2077 -17.1998 -17.1998
-8.6872 -8.6872 -8.5566 -8.5566 -7.8815 -7.8815 -7.7226 -7.7226
-7.6541 -7.6541 -6.0569 -6.0569 -5.2885 -5.2885 0.5579 0.5579
2.1792 2.1792 3.9084 3.9084 4.1684 4.1684 4.9109 4.9109
5.5912 5.5912 7.2648 7.2648 9.9969 9.9969 10.7839 10.7839
11.5914 11.5914
k = 0.6290 0.1770-0.7281 ( 5962 PWs) bands (ev):
-45.3328 -45.3328 -17.3821 -17.3821 -17.2074 -17.2074 -17.1998 -17.1998
-8.6842 -8.6842 -8.5567 -8.5567 -7.8796 -7.8796 -7.7228 -7.7228
-7.6551 -7.6551 -6.0843 -6.0843 -5.3053 -5.3053 0.5998 0.5998
2.2243 2.2243 3.9266 3.9266 4.1864 4.1864 4.8819 4.8819
5.5980 5.5980 7.3138 7.3138 10.0246 10.0246 10.7965 10.7965
11.6363 11.6363
k = 0.6254 0.1760-0.7055 ( 5966 PWs) bands (ev):
-45.3328 -45.3328 -17.3820 -17.3820 -17.2072 -17.2072 -17.1998 -17.1998
-8.6809 -8.6809 -8.5569 -8.5569 -7.8775 -7.8775 -7.7230 -7.7230
-7.6561 -7.6561 -6.1134 -6.1134 -5.3237 -5.3237 0.6448 0.6448
2.2732 2.2732 3.9457 3.9457 4.2056 4.2056 4.8523 4.8523
5.6055 5.6055 7.3678 7.3678 10.0530 10.0530 10.8139 10.8139
11.6841 11.6841
k = 0.6218 0.1750-0.6829 ( 5964 PWs) bands (ev):
-45.3328 -45.3328 -17.3818 -17.3818 -17.2069 -17.2069 -17.1998 -17.1998
-8.6773 -8.6773 -8.5571 -8.5571 -7.8752 -7.8752 -7.7232 -7.7232
-7.6572 -7.6572 -6.1439 -6.1439 -5.3436 -5.3436 0.6925 0.6925
2.3257 2.3257 3.9660 3.9660 4.2264 4.2264 4.8222 4.8222
5.6138 5.6138 7.4267 7.4267 10.0819 10.0819 10.8358 10.8358
11.7347 11.7347
k = 0.6182 0.1740-0.6603 ( 5964 PWs) bands (ev):
-45.3328 -45.3328 -17.3816 -17.3816 -17.2067 -17.2067 -17.1998 -17.1998
-8.6736 -8.6736 -8.5573 -8.5573 -7.8727 -7.8727 -7.7233 -7.7233
-7.6584 -7.6584 -6.1757 -6.1757 -5.3648 -5.3648 0.7423 0.7423
2.3818 2.3818 3.9876 3.9876 4.2490 4.2490 4.7916 4.7916
5.6227 5.6227 7.4900 7.4900 10.1111 10.1111 10.8619 10.8619
11.7878 11.7878
k = 0.6146 0.1730-0.6377 ( 5967 PWs) bands (ev):
-45.3329 -45.3329 -17.3815 -17.3815 -17.2064 -17.2064 -17.1998 -17.1998
-8.6697 -8.6697 -8.5576 -8.5576 -7.8699 -7.8699 -7.7235 -7.7235
-7.6597 -7.6597 -6.2084 -6.2084 -5.3875 -5.3875 0.7939 0.7939
2.4413 2.4413 4.0106 4.0106 4.2736 4.2736 4.7607 4.7607
5.6322 5.6322 7.5573 7.5573 10.1405 10.1405 10.8918 10.8918
11.8431 11.8431
k = 0.6111 0.1720-0.6151 ( 5955 PWs) bands (ev):
-45.3329 -45.3329 -17.3813 -17.3813 -17.2060 -17.2060 -17.1997 -17.1997
-8.6656 -8.6656 -8.5578 -8.5578 -7.8669 -7.8669 -7.7237 -7.7237
-7.6609 -7.6609 -6.2419 -6.2419 -5.4114 -5.4114 0.8467 0.8467
2.5042 2.5042 4.0354 4.0354 4.3001 4.3001 4.7297 4.7297
5.6422 5.6422 7.6282 7.6282 10.1698 10.1698 10.9251 10.9251
11.9004 11.9004
k = 0.6075 0.1710-0.5925 ( 5952 PWs) bands (ev):
-45.3329 -45.3329 -17.3811 -17.3811 -17.2057 -17.2057 -17.1997 -17.1997
-8.6614 -8.6614 -8.5580 -8.5580 -7.8638 -7.8638 -7.7239 -7.7239
-7.6623 -7.6623 -6.2759 -6.2759 -5.4365 -5.4365 0.9002 0.9002
2.5703 2.5703 4.0621 4.0621 4.3287 4.3287 4.6990 4.6990
5.6527 5.6527 7.7023 7.7023 10.1987 10.1987 10.9613 10.9613
11.9590 11.9590
k = 0.6039 0.1699-0.5699 ( 5952 PWs) bands (ev):
-45.3329 -45.3329 -17.3809 -17.3809 -17.2054 -17.2054 -17.1997 -17.1997
-8.6571 -8.6571 -8.5583 -8.5583 -7.8603 -7.8603 -7.7241 -7.7241
-7.6637 -7.6637 -6.3103 -6.3103 -5.4627 -5.4627 0.9539 0.9539
2.6397 2.6397 4.0910 4.0910 4.3591 4.3591 4.6689 4.6689
5.6635 5.6635 7.7790 7.7790 10.2270 10.2270 10.9999 10.9999
12.0178 12.0178
k = 0.6003 0.1689-0.5473 ( 5953 PWs) bands (ev):
-45.3329 -45.3329 -17.3808 -17.3808 -17.2050 -17.2050 -17.1997 -17.1997
-8.6527 -8.6527 -8.5586 -8.5586 -7.8567 -7.8567 -7.7243 -7.7243
-7.6651 -7.6651 -6.3448 -6.3448 -5.4899 -5.4899 1.0073 1.0073
2.7121 2.7121 4.1223 4.1223 4.3910 4.3910 4.6401 4.6401
5.6746 5.6746 7.8579 7.8579 10.2540 10.2540 11.0401 11.0401
12.0739 12.0739
k = 0.5967 0.1679-0.5247 ( 5949 PWs) bands (ev):
-45.3329 -45.3329 -17.3806 -17.3806 -17.2047 -17.2047 -17.1997 -17.1997
-8.6482 -8.6482 -8.5588 -8.5588 -7.8529 -7.8529 -7.7244 -7.7244
-7.6665 -7.6665 -6.3793 -6.3793 -5.5178 -5.5178 1.0597 1.0597
2.7876 2.7876 4.1560 4.1560 4.4234 4.4234 4.6138 4.6138
5.6860 5.6860 7.9384 7.9384 10.2793 10.2793 11.0812 11.0812
12.1197 12.1197
k = 0.5931 0.1669-0.5021 ( 5953 PWs) bands (ev):
-45.3329 -45.3329 -17.3804 -17.3804 -17.2044 -17.2044 -17.1997 -17.1997
-8.6437 -8.6437 -8.5591 -8.5591 -7.8488 -7.8488 -7.7246 -7.7246
-7.6679 -7.6679 -6.4136 -6.4136 -5.5466 -5.5466 1.1108 1.1108
2.8661 2.8661 4.1921 4.1921 4.4540 4.4540 4.5929 4.5929
5.6974 5.6974 8.0200 8.0200 10.3021 10.3021 11.1226 11.1226
12.1439 12.1439
k = 0.5896 0.1659-0.4795 ( 5953 PWs) bands (ev):
-45.3330 -45.3330 -17.3802 -17.3802 -17.2040 -17.2040 -17.1997 -17.1997
-8.6391 -8.6391 -8.5594 -8.5594 -7.8446 -7.8446 -7.7247 -7.7247
-7.6694 -7.6694 -6.4475 -6.4475 -5.5759 -5.5759 1.1600 1.1600
2.9473 2.9473 4.2302 4.2302 4.4767 4.4767 4.5842 4.5842
5.7088 5.7088 8.1020 8.1020 10.3217 10.3217 11.1635 11.1635
12.1479 12.1479
k = 0.5860 0.1649-0.4569 ( 5951 PWs) bands (ev):
-45.3330 -45.3330 -17.3800 -17.3800 -17.2037 -17.2037 -17.1996 -17.1996
-8.6346 -8.6346 -8.5597 -8.5597 -7.8401 -7.8401 -7.7247 -7.7247
-7.6709 -7.6709 -6.4809 -6.4809 -5.6056 -5.6056 1.2071 1.2071
3.0312 3.0312 4.2692 4.2692 4.4834 4.4834 4.5971 4.5971
5.7202 5.7202 8.1836 8.1836 10.3371 10.3371 11.2031 11.2031
12.1403 12.1403
k = 0.5824 0.1639-0.4343 ( 5955 PWs) bands (ev):
-45.3330 -45.3330 -17.3798 -17.3798 -17.2034 -17.2034 -17.1996 -17.1996
-8.6301 -8.6301 -8.5599 -8.5599 -7.8355 -7.8355 -7.7248 -7.7248
-7.6723 -7.6723 -6.5137 -6.5137 -5.6356 -5.6356 1.2515 1.2515
3.1173 3.1173 4.3066 4.3066 4.4800 4.4800 4.6287 4.6287
5.7313 5.7313 8.2643 8.2643 10.3475 10.3475 11.2409 11.2409
12.1251 12.1251
k = 0.5788 0.1629-0.4117 ( 5962 PWs) bands (ev):
-45.3330 -45.3330 -17.3796 -17.3796 -17.2031 -17.2031 -17.1995 -17.1995
-8.6257 -8.6257 -8.5602 -8.5602 -7.8307 -7.8307 -7.7248 -7.7248
-7.6738 -7.6738 -6.5458 -6.5458 -5.6658 -5.6658 1.2932 1.2932
3.2054 3.2054 4.3367 4.3367 4.4815 4.4815 4.6698 4.6698
5.7422 5.7422 8.3430 8.3430 10.3518 10.3518 11.2761 11.2761
12.1037 12.1037
k = 0.5752 0.1619-0.3891 ( 5950 PWs) bands (ev):
-45.3330 -45.3330 -17.3794 -17.3794 -17.2028 -17.2028 -17.1994 -17.1994
-8.6214 -8.6214 -8.5604 -8.5604 -7.8258 -7.8258 -7.7247 -7.7247
-7.6753 -7.6753 -6.5770 -6.5770 -5.6961 -5.6961 1.3319 1.3319
3.2946 3.2946 4.3524 4.3524 4.4999 4.4999 4.7160 4.7160
5.7527 5.7527 8.4187 8.4187 10.3494 10.3494 11.3084 11.3084
12.0763 12.0763
k = 0.5716 0.1609-0.3665 ( 5950 PWs) bands (ev):
-45.3330 -45.3330 -17.3792 -17.3792 -17.2025 -17.2025 -17.1993 -17.1993
-8.6172 -8.6172 -8.5607 -8.5607 -7.8208 -7.8208 -7.7246 -7.7246
-7.6767 -7.6767 -6.6072 -6.6072 -5.7262 -5.7262 1.3675 1.3675
3.3842 3.3842 4.3544 4.3544 4.5367 4.5367 4.7657 4.7657
5.7627 5.7627 8.4904 8.4904 10.3396 10.3396 11.3372 11.3372
12.0422 12.0422
k = 0.5681 0.1599-0.3439 ( 5939 PWs) bands (ev):
-45.3331 -45.3331 -17.3790 -17.3790 -17.2022 -17.2022 -17.1992 -17.1992
-8.6131 -8.6131 -8.5608 -8.5608 -7.8157 -7.8157 -7.7244 -7.7244
-7.6781 -7.6781 -6.6363 -6.6363 -5.7560 -5.7560 1.3999 1.3999
3.4728 3.4728 4.3512 4.3512 4.5846 4.5846 4.8183 4.8183
5.7720 5.7720 8.5569 8.5569 10.3220 10.3220 11.3615 11.3615
11.9998 11.9998
k = 0.5645 0.1589-0.3213 ( 5935 PWs) bands (ev):
-45.3331 -45.3331 -17.3788 -17.3788 -17.2020 -17.2020 -17.1990 -17.1990
-8.6092 -8.6092 -8.5610 -8.5610 -7.8106 -7.8106 -7.7242 -7.7242
-7.6794 -7.6794 -6.6643 -6.6643 -5.7855 -5.7855 1.4292 1.4292
3.5585 3.5585 4.3498 4.3498 4.6382 4.6382 4.8736 4.8736
5.7807 5.7807 8.6166 8.6166 10.2967 10.2967 11.3796 11.3796
11.9450 11.9450
k = 0.5609 0.1578-0.2987 ( 5931 PWs) bands (ev):
-45.3331 -45.3331 -17.3787 -17.3787 -17.2018 -17.2018 -17.1988 -17.1988
-8.6055 -8.6055 -8.5611 -8.5611 -7.8055 -7.8055 -7.7238 -7.7238
-7.6807 -7.6807 -6.6911 -6.6911 -5.8144 -5.8144 1.4555 1.4555
3.6388 3.6388 4.3548 4.3548 4.6946 4.6946 4.9315 4.9315
5.7885 5.7885 8.6681 8.6681 10.2640 10.2640 11.3883 11.3883
11.8769 11.8769
k = 0.5573 0.1568-0.2761 ( 5940 PWs) bands (ev):
-45.3331 -45.3331 -17.3785 -17.3785 -17.2016 -17.2016 -17.1987 -17.1987
-8.6020 -8.6020 -8.5612 -8.5612 -7.8005 -7.8005 -7.7233 -7.7233
-7.6820 -7.6820 -6.7166 -6.7166 -5.8426 -5.8426 1.4789 1.4789
3.7104 3.7104 4.3701 4.3701 4.7522 4.7522 4.9919 4.9919
5.7954 5.7954 8.7099 8.7099 10.2241 10.2241 11.3822 11.3822
11.8094 11.8094
k = 0.5537 0.1558-0.2535 ( 5944 PWs) bands (ev):
-45.3331 -45.3331 -17.3784 -17.3784 -17.2015 -17.2015 -17.1985 -17.1985
-8.5988 -8.5988 -8.5612 -8.5612 -7.7956 -7.7956 -7.7227 -7.7227
-7.6832 -7.6832 -6.7408 -6.7408 -5.8700 -5.8700 1.4996 1.4996
3.7701 3.7701 4.3993 4.3993 4.8100 4.8100 5.0546 5.0546
5.8012 5.8012 8.7407 8.7407 10.1774 10.1774 11.3573 11.3573
11.7610 11.7610
k = 0.5502 0.1548-0.2309 ( 5949 PWs) bands (ev):
-45.3331 -45.3331 -17.3782 -17.3782 -17.2014 -17.2014 -17.1983 -17.1983
-8.5958 -8.5958 -8.5611 -8.5611 -7.7908 -7.7908 -7.7219 -7.7219
-7.6844 -7.6844 -6.7635 -6.7635 -5.8965 -5.8965 1.5178 1.5178
3.8156 3.8156 4.4443 4.4443 4.8672 4.8672 5.1194 5.1194
5.8060 5.8060 8.7594 8.7594 10.1239 10.1239 11.3162 11.3162
11.7362 11.7362
k = 0.5466 0.1538-0.2083 ( 5945 PWs) bands (ev):
-45.3332 -45.3332 -17.3781 -17.3781 -17.2013 -17.2013 -17.1981 -17.1981
-8.5931 -8.5931 -8.5609 -8.5609 -7.7864 -7.7864 -7.7209 -7.7209
-7.6855 -7.6855 -6.7848 -6.7848 -5.9219 -5.9219 1.5336 1.5336
3.8468 3.8468 4.5048 4.5048 4.9233 4.9233 5.1856 5.1856
5.8097 5.8097 8.7654 8.7654 10.0635 10.0635 11.2690 11.2690
11.7252 11.7252
k = 0.5430 0.1528-0.1857 ( 5939 PWs) bands (ev):
-45.3332 -45.3332 -17.3779 -17.3779 -17.2012 -17.2012 -17.1978 -17.1978
-8.5906 -8.5906 -8.5606 -8.5606 -7.7822 -7.7822 -7.7198 -7.7198
-7.6865 -7.6865 -6.8046 -6.8046 -5.9460 -5.9460 1.5473 1.5473
3.8656 3.8656 4.5782 4.5782 4.9781 4.9781 5.2526 5.2526
5.8123 5.8123 8.7590 8.7590 9.9961 9.9961 11.2261 11.2261
11.7109 11.7109
k = 0.5394 0.1518-0.1631 ( 5936 PWs) bands (ev):
-45.3332 -45.3332 -17.3778 -17.3778 -17.2012 -17.2012 -17.1976 -17.1976
-8.5885 -8.5885 -8.5603 -8.5603 -7.7784 -7.7784 -7.7185 -7.7185
-7.6875 -7.6875 -6.8229 -6.8229 -5.9688 -5.9688 1.5591 1.5591
3.8753 3.8753 4.6605 4.6605 5.0315 5.0315 5.3195 5.3195
5.8137 5.8137 8.7410 8.7410 9.9221 9.9221 11.1936 11.1936
11.6844 11.6844
k = 0.5358 0.1508-0.1405 ( 5942 PWs) bands (ev):
-45.3332 -45.3332 -17.3777 -17.3777 -17.2011 -17.2011 -17.1974 -17.1974
-8.5867 -8.5867 -8.5599 -8.5599 -7.7751 -7.7751 -7.7170 -7.7170
-7.6883 -7.6883 -6.8397 -6.8397 -5.9901 -5.9901 1.5692 1.5692
3.8785 3.8785 4.7478 4.7478 5.0836 5.0836 5.3850 5.3850
5.8143 5.8143 8.7129 8.7129 9.8425 9.8425 11.1738 11.1738
11.6525 11.6525
k = 0.5322 0.1498-0.1179 ( 5937 PWs) bands (ev):
-45.3332 -45.3332 -17.3776 -17.3776 -17.2011 -17.2011 -17.1972 -17.1972
-8.5851 -8.5851 -8.5594 -8.5594 -7.7721 -7.7721 -7.7153 -7.7153
-7.6891 -7.6891 -6.8549 -6.8549 -6.0098 -6.0098 1.5777 1.5777
3.8777 3.8777 4.8363 4.8363 5.1347 5.1347 5.4477 5.4477
5.8142 5.8142 8.6767 8.6767 9.7593 9.7593 11.1660 11.1660
11.6213 11.6213
k = 0.5287 0.1488-0.0953 ( 5937 PWs) bands (ev):
-45.3332 -45.3332 -17.3775 -17.3775 -17.2010 -17.2010 -17.1971 -17.1971
-8.5838 -8.5838 -8.5588 -8.5588 -7.7695 -7.7695 -7.7135 -7.7135
-7.6899 -7.6899 -6.8685 -6.8685 -6.0278 -6.0278 1.5849 1.5849
3.8745 3.8745 4.9227 4.9227 5.1852 5.1852 5.5059 5.5059
5.8141 5.8141 8.6350 8.6350 9.6749 9.6749 11.1676 11.1676
11.5937 11.5937
k = 0.5251 0.1478-0.0727 ( 5931 PWs) bands (ev):
-45.3332 -45.3332 -17.3774 -17.3774 -17.2010 -17.2010 -17.1969 -17.1969
-8.5828 -8.5828 -8.5582 -8.5582 -7.7674 -7.7674 -7.7117 -7.7117
-7.6905 -7.6905 -6.8805 -6.8805 -6.0439 -6.0439 1.5908 1.5908
3.8700 3.8700 5.0035 5.0035 5.2361 5.2361 5.5573 5.5573
5.8149 5.8149 8.5901 8.5901 9.5918 9.5918 11.1755 11.1755
11.5713 11.5713
k = 0.5215 0.1468-0.0501 ( 5934 PWs) bands (ev):
-45.3332 -45.3332 -17.3773 -17.3773 -17.2010 -17.2010 -17.1967 -17.1967
-8.5820 -8.5820 -8.5577 -8.5577 -7.7657 -7.7657 -7.7100 -7.7100
-7.6910 -7.6910 -6.8909 -6.8909 -6.0582 -6.0582 1.5957 1.5957
3.8651 3.8651 5.0756 5.0756 5.2882 5.2882 5.5992 5.5992
5.8181 5.8181 8.5447 8.5447 9.5129 9.5129 11.1860 11.1860
11.5552 11.5552
k = 0.5179 0.1458-0.0275 ( 5931 PWs) bands (ev):
-45.3332 -45.3332 -17.3772 -17.3772 -17.2010 -17.2010 -17.1966 -17.1966
-8.5813 -8.5813 -8.5571 -8.5571 -7.7643 -7.7643 -7.7083 -7.7083
-7.6915 -7.6915 -6.8997 -6.8997 -6.0704 -6.0704 1.5996 1.5996
3.8603 3.8603 5.1363 5.1363 5.3419 5.3419 5.6287 5.6287
5.8253 5.8253 8.5012 8.5012 9.4408 9.4408 11.1964 11.1964
11.5458 11.5458
k = 0.5143 0.1447-0.0049 ( 5938 PWs) bands (ev):
-45.3332 -45.3332 -17.3772 -17.3772 -17.2010 -17.2010 -17.1965 -17.1965
-8.5808 -8.5808 -8.5566 -8.5566 -7.7632 -7.7632 -7.7068 -7.7068
-7.6919 -7.6919 -6.9069 -6.9069 -6.0805 -6.0805 1.6027 1.6027
3.8559 3.8559 5.1843 5.1843 5.3963 5.3963 5.6441 5.6441
5.8369 5.8369 8.4618 8.4618 9.3779 9.3779 11.2046 11.2046
11.5423 11.5423
k = 0.5107 0.1437 0.0177 ( 5941 PWs) bands (ev):
-45.3332 -45.3332 -17.3772 -17.3772 -17.2010 -17.2010 -17.1964 -17.1964
-8.5805 -8.5805 -8.5562 -8.5562 -7.7624 -7.7624 -7.7056 -7.7056
-7.6922 -7.6922 -6.9125 -6.9125 -6.0884 -6.0884 1.6050 1.6050
3.8522 3.8522 5.2201 5.2201 5.4488 5.4488 5.6463 5.6463
5.8508 5.8508 8.4288 8.4288 9.3265 9.3265 11.2100 11.2100
11.5432 11.5432
k = 0.5072 0.1427 0.0403 ( 5947 PWs) bands (ev):
-45.3332 -45.3332 -17.3772 -17.3772 -17.2010 -17.2010 -17.1964 -17.1964
-8.5802 -8.5802 -8.5559 -8.5559 -7.7619 -7.7619 -7.7047 -7.7047
-7.6924 -7.6924 -6.9165 -6.9165 -6.0941 -6.0941 1.6066 1.6066
3.8495 3.8495 5.2449 5.2449 5.4963 5.4963 5.6382 5.6382
5.8637 5.8637 8.4039 8.4039 9.2883 9.2883 11.2130 11.2130
11.5461 11.5461
k = 0.5036 0.1417 0.0629 ( 5949 PWs) bands (ev):
-45.3333 -45.3333 -17.3771 -17.3771 -17.2010 -17.2010 -17.1964 -17.1964
-8.5801 -8.5801 -8.5558 -8.5558 -7.7616 -7.7616 -7.7041 -7.7041
-7.6925 -7.6925 -6.9189 -6.9189 -6.0976 -6.0976 1.6075 1.6075
3.8478 3.8478 5.2594 5.2594 5.5343 5.5343 5.6238 5.6238
5.8726 5.8726 8.3883 8.3883 9.2648 9.2648 11.2144 11.2144
11.5490 11.5490
k = 0.5000 0.1407 0.0855 ( 5956 PWs) bands (ev):
-45.3333 -45.3333 -17.3772 -17.3772 -17.2010 -17.2010 -17.1964 -17.1964
-8.5801 -8.5801 -8.5557 -8.5557 -7.7614 -7.7614 -7.7039 -7.7039
-7.6926 -7.6926 -6.9197 -6.9197 -6.0987 -6.0987 1.6078 1.6078
3.8473 3.8473 5.2642 5.2642 5.5520 5.5520 5.6141 5.6141
5.8758 5.8758 8.3831 8.3831 9.2569 9.2569 11.2148 11.2148
11.5501 11.5501
k = 0.5000-0.8180-0.4972 ( 5944 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1996 -17.1996
-8.7016 -8.7016 -8.5558 -8.5558 -7.8898 -7.8898 -7.7217 -7.7217
-7.6495 -7.6495 -5.9164 -5.9164 -5.2226 -5.2226 0.4598 0.4598
2.0738 2.0738 3.6114 3.6114 4.0321 4.0321 4.6203 4.6203
5.4435 5.4435 7.5939 7.5939 10.0629 10.0629 11.7009 11.7009
12.0650 12.0650
k = 0.5197-0.8092-0.4919 ( 5941 PWs) bands (ev):
-45.3327 -45.3327 -17.3827 -17.3827 -17.2088 -17.2088 -17.1996 -17.1996
-8.7016 -8.7016 -8.5558 -8.5558 -7.8898 -7.8898 -7.7217 -7.7217
-7.6495 -7.6495 -5.9165 -5.9165 -5.2226 -5.2226 0.4593 0.4593
2.0733 2.0733 3.6125 3.6125 4.0320 4.0320 4.6230 4.6230
5.4441 5.4441 7.5908 7.5908 10.0642 10.0642 11.6887 11.6887
12.0528 12.0528
k = 0.5394-0.8004-0.4865 ( 5948 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1996 -17.1996
-8.7016 -8.7016 -8.5558 -8.5558 -7.8898 -7.8898 -7.7217 -7.7217
-7.6495 -7.6495 -5.9167 -5.9167 -5.2224 -5.2224 0.4575 0.4575
2.0718 2.0718 3.6160 3.6160 4.0317 4.0317 4.6308 4.6308
5.4461 5.4461 7.5816 7.5816 10.0679 10.0679 11.6536 11.6536
12.0179 12.0179
k = 0.5591-0.7916-0.4812 ( 5949 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1996 -17.1996
-8.7016 -8.7016 -8.5558 -8.5558 -7.8898 -7.8898 -7.7217 -7.7217
-7.6495 -7.6495 -5.9170 -5.9170 -5.2222 -5.2222 0.4547 0.4547
2.0693 2.0693 3.6217 3.6217 4.0313 4.0313 4.6438 4.6438
5.4494 5.4494 7.5664 7.5664 10.0737 10.0737 11.5997 11.5997
11.9653 11.9653
k = 0.5788-0.7828-0.4758 ( 5951 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1997 -17.1997
-8.7015 -8.7015 -8.5558 -8.5558 -7.8898 -7.8898 -7.7217 -7.7217
-7.6496 -7.6496 -5.9175 -5.9175 -5.2219 -5.2219 0.4509 0.4509
2.0659 2.0659 3.6296 3.6296 4.0308 4.0308 4.6615 4.6615
5.4539 5.4539 7.5456 7.5456 10.0807 10.0807 11.5323 11.5323
11.9006 11.9006
k = 0.5985-0.7740-0.4705 ( 5951 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1997 -17.1997
-8.7015 -8.7015 -8.5558 -8.5558 -7.8898 -7.8898 -7.7217 -7.7217
-7.6496 -7.6496 -5.9181 -5.9181 -5.2214 -5.2214 0.4461 0.4461
2.0615 2.0615 3.6396 3.6396 4.0303 4.0303 4.6839 4.6839
5.4595 5.4595 7.5197 7.5197 10.0879 10.0879 11.4564 11.4564
11.8290 11.8290
k = 0.6182-0.7652-0.4652 ( 5956 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1997 -17.1997
-8.7015 -8.7015 -8.5558 -8.5558 -7.8898 -7.8898 -7.7217 -7.7217
-7.6496 -7.6496 -5.9188 -5.9188 -5.2209 -5.2209 0.4406 0.4406
2.0562 2.0562 3.6515 3.6515 4.0300 4.0300 4.7104 4.7104
5.4663 5.4663 7.4890 7.4890 10.0940 10.0940 11.3766 11.3766
11.7549 11.7549
k = 0.6379-0.7564-0.4598 ( 5957 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1997 -17.1997
-8.7014 -8.7014 -8.5558 -8.5558 -7.8897 -7.8897 -7.7217 -7.7217
-7.6496 -7.6496 -5.9197 -5.9197 -5.2203 -5.2203 0.4344 0.4344
2.0501 2.0501 3.6653 3.6653 4.0299 4.0299 4.7406 4.7406
5.4740 5.4740 7.4544 7.4544 10.0974 10.0974 11.2969 11.2969
11.6815 11.6815
k = 0.6576-0.7476-0.4545 ( 5965 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1997 -17.1997
-8.7013 -8.7013 -8.5558 -8.5558 -7.8897 -7.8897 -7.7217 -7.7217
-7.6496 -7.6496 -5.9208 -5.9208 -5.2197 -5.2197 0.4277 0.4277
2.0432 2.0432 3.6804 3.6804 4.0301 4.0301 4.7741 4.7741
5.4826 5.4826 7.4163 7.4163 10.0962 10.0962 11.2201 11.2201
11.6117 11.6117
k = 0.6773-0.7389-0.4491 ( 5967 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2088 -17.2088 -17.1997 -17.1997
-8.7013 -8.7013 -8.5558 -8.5558 -7.8896 -7.8896 -7.7217 -7.7217
-7.6496 -7.6496 -5.9220 -5.9220 -5.2189 -5.2189 0.4208 0.4208
2.0358 2.0358 3.6967 3.6967 4.0310 4.0310 4.8103 4.8103
5.4920 5.4920 7.3756 7.3756 10.0888 10.0888 11.1487 11.1487
11.5477 11.5477
k = 0.6970-0.7301-0.4438 ( 5957 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7012 -8.7012 -8.5558 -8.5558 -7.8896 -7.8896 -7.7217 -7.7217
-7.6497 -7.6497 -5.9233 -5.9233 -5.2181 -5.2181 0.4136 0.4136
2.0278 2.0278 3.7135 3.7135 4.0326 4.0326 4.8488 4.8488
5.5020 5.5020 7.3330 7.3330 10.0735 10.0735 11.0843 11.0843
11.4915 11.4915
k = 0.7167-0.7213-0.4384 ( 5960 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7011 -8.7011 -8.5558 -8.5558 -7.8895 -7.8895 -7.7217 -7.7217
-7.6497 -7.6497 -5.9248 -5.9248 -5.2172 -5.2172 0.4066 0.4066
2.0194 2.0194 3.7305 3.7305 4.0351 4.0351 4.8889 4.8889
5.5125 5.5125 7.2892 7.2892 10.0495 10.0495 11.0276 11.0276
11.4448 11.4448
k = 0.7364-0.7125-0.4331 ( 5959 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7010 -8.7010 -8.5558 -8.5558 -7.8895 -7.8895 -7.7217 -7.7217
-7.6497 -7.6497 -5.9264 -5.9264 -5.2163 -5.2163 0.3997 0.3997
2.0109 2.0109 3.7470 3.7470 4.0386 4.0386 4.9301 4.9301
5.5234 5.5234 7.2452 7.2452 10.0166 10.0166 10.9782 10.9782
11.4089 11.4089
k = 0.7561-0.7037-0.4277 ( 5959 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7009 -8.7009 -8.5558 -8.5558 -7.8894 -7.8894 -7.7217 -7.7217
-7.6498 -7.6498 -5.9282 -5.9282 -5.2153 -5.2153 0.3932 0.3932
2.0023 2.0023 3.7626 3.7626 4.0432 4.0432 4.9718 4.9718
5.5345 5.5345 7.2016 7.2016 9.9757 9.9757 10.9352 10.9352
11.3845 11.3845
k = 0.7758-0.6949-0.4224 ( 5960 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7008 -8.7008 -8.5558 -8.5558 -7.8893 -7.8893 -7.7217 -7.7217
-7.6498 -7.6498 -5.9301 -5.9301 -5.2143 -5.2143 0.3872 0.3872
1.9938 1.9938 3.7768 3.7768 4.0489 4.0489 5.0134 5.0134
5.5457 5.5457 7.1595 7.1595 9.9286 9.9286 10.8976 10.8976
11.3715 11.3715
k = 0.7956-0.6861-0.4170 ( 5964 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7007 -8.7007 -8.5559 -8.5559 -7.8893 -7.8893 -7.7217 -7.7217
-7.6498 -7.6498 -5.9322 -5.9322 -5.2133 -5.2133 0.3819 0.3819
1.9855 1.9855 3.7892 3.7892 4.0554 4.0554 5.0543 5.0543
5.5569 5.5569 7.1195 7.1195 9.8773 9.8773 10.8646 10.8646
11.3687 11.3687
k = 0.8153-0.6773-0.4117 ( 5968 PWs) bands (ev):
-45.3327 -45.3327 -17.3828 -17.3828 -17.2087 -17.2087 -17.1997 -17.1997
-8.7006 -8.7006 -8.5559 -8.5559 -7.8892 -7.8892 -7.7217 -7.7217
-7.6499 -7.6499 -5.9345 -5.9345 -5.2123 -5.2123 0.3773 0.3773
1.9777 1.9777 3.7995 3.7995 4.0624 4.0624 5.0939 5.0939
5.5680 5.5680 7.0826 7.0826 9.8239 9.8239 10.8357 10.8357
11.3746 11.3746
Writing output data file NaInSe2.save
init_run : 0.36s CPU 0.52s WALL ( 1 calls)
electrons : 254.21s CPU 256.23s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.02s WALL ( 1 calls)
potinit : 0.04s CPU 0.07s WALL ( 1 calls)
Called by electrons:
c_bands : 254.20s CPU 256.22s WALL ( 1 calls)
v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.01s CPU 0.01s WALL ( 1 calls)
newd : 0.03s CPU 0.06s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.05s CPU 0.06s WALL ( 307 calls)
cegterg : 229.60s CPU 231.15s WALL ( 336 calls)
Called by sum_band:
Called by *egterg:
h_psi : 208.78s CPU 210.27s WALL ( 6243 calls)
s_psi : 1.58s CPU 1.64s WALL ( 6243 calls)
g_psi : 0.18s CPU 0.21s WALL ( 5600 calls)
cdiaghg : 29.36s CPU 29.49s WALL ( 5907 calls)
cegterg:over : 4.24s CPU 4.27s WALL ( 5600 calls)
cegterg:upda : 4.25s CPU 4.44s WALL ( 5600 calls)
cegterg:last : 2.18s CPU 2.14s WALL ( 950 calls)
cdiaghg:chol : 1.70s CPU 1.70s WALL ( 5907 calls)
cdiaghg:inve : 0.94s CPU 0.90s WALL ( 5907 calls)
cdiaghg:para : 1.79s CPU 1.70s WALL ( 11814 calls)
Called by h_psi:
h_psi:vloc : 204.17s CPU 205.63s WALL ( 6243 calls)
h_psi:vnl : 4.40s CPU 4.43s WALL ( 6243 calls)
add_vuspsi : 1.94s CPU 2.01s WALL ( 6243 calls)
General routines
calbec : 2.44s CPU 2.41s WALL ( 6243 calls)
fft : 0.02s CPU 0.03s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 192.60s CPU 193.84s WALL ( 506324 calls)
interpolate : 0.01s CPU 0.01s WALL ( 4 calls)
davcio : 0.19s CPU 0.23s WALL ( 614 calls)
Parallel routines
fft_scatter : 36.32s CPU 36.63s WALL ( 506347 calls)
PWSCF : 4m29.52s CPU 4m45.79s WALL
This run was terminated on: 19:44:14 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=