Program PWSCF v.5.4.0 starts on 21Mar2017 at 23:24:36
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 & OpenMP), running on 144 processor cores
Number of MPI processes: 72
Threads/MPI process: 2
R & G space division: proc/nbgrp/npool/nimage = 72
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:
./ReNCl4.save/
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per band group will be used
scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 42 28 8 2528 1383 211
Max 43 29 9 2537 1410 216
Sum 3057 2053 589 182273 100561 15349
bravais-lattice index = 14
lattice parameter (alat) = 7.6666 a.u.
unit-cell volume = 1876.7496 (a.u.)^3
number of atoms/cell = 6
number of atomic types = 3
number of electrons = 48.00
number of Kohn-Sham states= 58
kinetic-energy cutoff = 54.0000 Ry
charge density cutoff = 321.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 7.666618 celldm(2)= 2.040424 celldm(3)= 2.041163
celldm(4)= 0.002094 celldm(5)= 0.001571 celldm(6)= 0.002967
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.006054 2.040415 0.000000 )
a(3) = ( 0.003206 0.004266 2.041156 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.002967 -0.001565 )
b(2) = ( 0.000000 0.490096 -0.001024 )
b(3) = ( 0.000000 0.000000 0.489918 )
PseudoPot. # 1 for Cl read from file:
/users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca
Pseudo is Ultrasoft + core correction, Zval = 7.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1157 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 Re read from file:
/users/gautes/Pseudo/Re.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 151eeb7d95de718c8ba0a4937714e2a1
Pseudo is Ultrasoft + core correction, Zval = 15.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1275 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. # 3 for N read from file:
/users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: e87e56825df8daeb07642eb4d268bcfd
Pseudo is Ultrasoft + core correction, Zval = 5.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1085 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
Cl 7.00 35.45300 Cl( 1.00)
Re 15.00 186.20700 Re( 1.00)
N 5.00 14.00670 N( 1.00)
No symmetry 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 )
double point group C_1 (1)
there are 2 classes and 1 irreducible representations
the character table:
E -E
G_2 1.00 -1.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
Cartesian axes
number of k points= 247 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.5000000 -0.0014835 -0.0007823), wk = 0.0040486
k( 2) = ( 0.4871795 -0.0014455 -0.0007622), wk = 0.0040486
k( 3) = ( 0.4743590 -0.0014075 -0.0007422), wk = 0.0040486
k( 4) = ( 0.4615385 -0.0013694 -0.0007221), wk = 0.0040486
k( 5) = ( 0.4487179 -0.0013314 -0.0007021), wk = 0.0040486
k( 6) = ( 0.4358974 -0.0012933 -0.0006820), wk = 0.0040486
k( 7) = ( 0.4230769 -0.0012553 -0.0006619), wk = 0.0040486
k( 8) = ( 0.4102564 -0.0012173 -0.0006419), wk = 0.0040486
k( 9) = ( 0.3974359 -0.0011792 -0.0006218), wk = 0.0040486
k( 10) = ( 0.3846154 -0.0011412 -0.0006018), wk = 0.0040486
k( 11) = ( 0.3717949 -0.0011031 -0.0005817), wk = 0.0040486
k( 12) = ( 0.3589744 -0.0010651 -0.0005617), wk = 0.0040486
k( 13) = ( 0.3461538 -0.0010271 -0.0005416), wk = 0.0040486
k( 14) = ( 0.3333333 -0.0009890 -0.0005215), wk = 0.0040486
k( 15) = ( 0.3205128 -0.0009510 -0.0005015), wk = 0.0040486
k( 16) = ( 0.3076923 -0.0009129 -0.0004814), wk = 0.0040486
k( 17) = ( 0.2948718 -0.0008749 -0.0004614), wk = 0.0040486
k( 18) = ( 0.2820513 -0.0008369 -0.0004413), wk = 0.0040486
k( 19) = ( 0.2692308 -0.0007988 -0.0004212), wk = 0.0040486
k( 20) = ( 0.2564103 -0.0007608 -0.0004012), wk = 0.0040486
k( 21) = ( 0.2435897 -0.0007227 -0.0003811), wk = 0.0040486
k( 22) = ( 0.2307692 -0.0006847 -0.0003611), wk = 0.0040486
k( 23) = ( 0.2179487 -0.0006467 -0.0003410), wk = 0.0040486
k( 24) = ( 0.2051282 -0.0006086 -0.0003209), wk = 0.0040486
k( 25) = ( 0.1923077 -0.0005706 -0.0003009), wk = 0.0040486
k( 26) = ( 0.1794872 -0.0005326 -0.0002808), wk = 0.0040486
k( 27) = ( 0.1666667 -0.0004945 -0.0002608), wk = 0.0040486
k( 28) = ( 0.1538461 -0.0004565 -0.0002407), wk = 0.0040486
k( 29) = ( 0.1410256 -0.0004184 -0.0002206), wk = 0.0040486
k( 30) = ( 0.1282051 -0.0003804 -0.0002006), wk = 0.0040486
k( 31) = ( 0.1153846 -0.0003424 -0.0001805), wk = 0.0040486
k( 32) = ( 0.1025641 -0.0003043 -0.0001605), wk = 0.0040486
k( 33) = ( 0.0897436 -0.0002663 -0.0001404), wk = 0.0040486
k( 34) = ( 0.0769231 -0.0002282 -0.0001204), wk = 0.0040486
k( 35) = ( 0.0641026 -0.0001902 -0.0001003), wk = 0.0040486
k( 36) = ( 0.0512821 -0.0001522 -0.0000802), wk = 0.0040486
k( 37) = ( 0.0384615 -0.0001141 -0.0000602), wk = 0.0040486
k( 38) = ( 0.0256410 -0.0000761 -0.0000401), wk = 0.0040486
k( 39) = ( 0.0128205 -0.0000380 -0.0000201), wk = 0.0040486
k( 40) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
k( 41) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
k( 42) = ( 0.0000000 0.0128973 -0.0000270), wk = 0.0040486
k( 43) = ( 0.0000000 0.0257945 -0.0000539), wk = 0.0040486
k( 44) = ( 0.0000000 0.0386918 -0.0000809), wk = 0.0040486
k( 45) = ( 0.0000000 0.0515891 -0.0001078), wk = 0.0040486
k( 46) = ( 0.0000000 0.0644864 -0.0001348), wk = 0.0040486
k( 47) = ( 0.0000000 0.0773836 -0.0001617), wk = 0.0040486
k( 48) = ( 0.0000000 0.0902809 -0.0001887), wk = 0.0040486
k( 49) = ( 0.0000000 0.1031782 -0.0002156), wk = 0.0040486
k( 50) = ( 0.0000000 0.1160755 -0.0002426), wk = 0.0040486
k( 51) = ( 0.0000000 0.1289727 -0.0002695), wk = 0.0040486
k( 52) = ( 0.0000000 0.1418700 -0.0002965), wk = 0.0040486
k( 53) = ( 0.0000000 0.1547673 -0.0003234), wk = 0.0040486
k( 54) = ( 0.0000000 0.1676646 -0.0003504), wk = 0.0040486
k( 55) = ( 0.0000000 0.1805618 -0.0003773), wk = 0.0040486
k( 56) = ( 0.0000000 0.1934591 -0.0004043), wk = 0.0040486
k( 57) = ( 0.0000000 0.2063564 -0.0004312), wk = 0.0040486
k( 58) = ( 0.0000000 0.2192536 -0.0004582), wk = 0.0040486
k( 59) = ( 0.0000000 0.2321509 -0.0004851), wk = 0.0040486
k( 60) = ( 0.0000000 0.2450482 -0.0005121), wk = 0.0040486
k( 61) = ( 0.5000000 0.2435647 -0.0012944), wk = 0.0040486
k( 62) = ( 0.4886364 0.2380291 -0.0012650), wk = 0.0040486
k( 63) = ( 0.4772727 0.2324935 -0.0012356), wk = 0.0040486
k( 64) = ( 0.4659091 0.2269580 -0.0012061), wk = 0.0040486
k( 65) = ( 0.4545455 0.2214224 -0.0011767), wk = 0.0040486
k( 66) = ( 0.4431818 0.2158869 -0.0011473), wk = 0.0040486
k( 67) = ( 0.4318182 0.2103513 -0.0011179), wk = 0.0040486
k( 68) = ( 0.4204545 0.2048157 -0.0010885), wk = 0.0040486
k( 69) = ( 0.4090909 0.1992802 -0.0010590), wk = 0.0040486
k( 70) = ( 0.3977273 0.1937446 -0.0010296), wk = 0.0040486
k( 71) = ( 0.3863636 0.1882091 -0.0010002), wk = 0.0040486
k( 72) = ( 0.3750000 0.1826735 -0.0009708), wk = 0.0040486
k( 73) = ( 0.3636364 0.1771379 -0.0009414), wk = 0.0040486
k( 74) = ( 0.3522727 0.1716024 -0.0009120), wk = 0.0040486
k( 75) = ( 0.3409091 0.1660668 -0.0008825), wk = 0.0040486
k( 76) = ( 0.3295455 0.1605312 -0.0008531), wk = 0.0040486
k( 77) = ( 0.3181818 0.1549957 -0.0008237), wk = 0.0040486
k( 78) = ( 0.3068182 0.1494601 -0.0007943), wk = 0.0040486
k( 79) = ( 0.2954545 0.1439246 -0.0007649), wk = 0.0040486
k( 80) = ( 0.2840909 0.1383890 -0.0007354), wk = 0.0040486
k( 81) = ( 0.2727273 0.1328534 -0.0007060), wk = 0.0040486
k( 82) = ( 0.2613636 0.1273179 -0.0006766), wk = 0.0040486
k( 83) = ( 0.2500000 0.1217823 -0.0006472), wk = 0.0040486
k( 84) = ( 0.2386364 0.1162468 -0.0006178), wk = 0.0040486
k( 85) = ( 0.2272727 0.1107112 -0.0005884), wk = 0.0040486
k( 86) = ( 0.2159091 0.1051756 -0.0005589), wk = 0.0040486
k( 87) = ( 0.2045454 0.0996401 -0.0005295), wk = 0.0040486
k( 88) = ( 0.1931818 0.0941045 -0.0005001), wk = 0.0040486
k( 89) = ( 0.1818182 0.0885690 -0.0004707), wk = 0.0040486
k( 90) = ( 0.1704546 0.0830334 -0.0004413), wk = 0.0040486
k( 91) = ( 0.1590909 0.0774978 -0.0004119), wk = 0.0040486
k( 92) = ( 0.1477273 0.0719623 -0.0003824), wk = 0.0040486
k( 93) = ( 0.1363636 0.0664267 -0.0003530), wk = 0.0040486
k( 94) = ( 0.1250000 0.0608912 -0.0003236), wk = 0.0040486
k( 95) = ( 0.1136364 0.0553556 -0.0002942), wk = 0.0040486
k( 96) = ( 0.1022727 0.0498200 -0.0002648), wk = 0.0040486
k( 97) = ( 0.0909091 0.0442845 -0.0002353), wk = 0.0040486
k( 98) = ( 0.0795455 0.0387489 -0.0002059), wk = 0.0040486
k( 99) = ( 0.0681818 0.0332134 -0.0001765), wk = 0.0040486
k( 100) = ( 0.0568182 0.0276778 -0.0001471), wk = 0.0040486
k( 101) = ( 0.0454546 0.0221422 -0.0001177), wk = 0.0040486
k( 102) = ( 0.0340909 0.0166067 -0.0000883), wk = 0.0040486
k( 103) = ( 0.0227273 0.0110711 -0.0000588), wk = 0.0040486
k( 104) = ( 0.0113636 0.0055356 -0.0000294), wk = 0.0040486
k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
k( 107) = ( 0.0000000 0.0000000 0.0128926), wk = 0.0040486
k( 108) = ( 0.0000000 0.0000000 0.0257852), wk = 0.0040486
k( 109) = ( 0.0000000 0.0000000 0.0386778), wk = 0.0040486
k( 110) = ( 0.0000000 0.0000000 0.0515704), wk = 0.0040486
k( 111) = ( 0.0000000 0.0000000 0.0644629), wk = 0.0040486
k( 112) = ( 0.0000000 0.0000000 0.0773555), wk = 0.0040486
k( 113) = ( 0.0000000 0.0000000 0.0902481), wk = 0.0040486
k( 114) = ( 0.0000000 0.0000000 0.1031407), wk = 0.0040486
k( 115) = ( 0.0000000 0.0000000 0.1160333), wk = 0.0040486
k( 116) = ( 0.0000000 0.0000000 0.1289259), wk = 0.0040486
k( 117) = ( 0.0000000 0.0000000 0.1418185), wk = 0.0040486
k( 118) = ( 0.0000000 0.0000000 0.1547111), wk = 0.0040486
k( 119) = ( 0.0000000 0.0000000 0.1676036), wk = 0.0040486
k( 120) = ( 0.0000000 0.0000000 0.1804962), wk = 0.0040486
k( 121) = ( 0.0000000 0.0000000 0.1933888), wk = 0.0040486
k( 122) = ( 0.0000000 0.0000000 0.2062814), wk = 0.0040486
k( 123) = ( 0.0000000 0.0000000 0.2191740), wk = 0.0040486
k( 124) = ( 0.0000000 0.0000000 0.2320666), wk = 0.0040486
k( 125) = ( 0.0000000 0.0000000 0.2449592), wk = 0.0040486
k( 126) = ( 0.5000000 -0.0014835 0.2441769), wk = 0.0040486
k( 127) = ( 0.4886364 -0.0014498 0.2386274), wk = 0.0040486
k( 128) = ( 0.4772727 -0.0014161 0.2330779), wk = 0.0040486
k( 129) = ( 0.4659091 -0.0013824 0.2275285), wk = 0.0040486
k( 130) = ( 0.4545455 -0.0013487 0.2219790), wk = 0.0040486
k( 131) = ( 0.4431818 -0.0013150 0.2164295), wk = 0.0040486
k( 132) = ( 0.4318182 -0.0012812 0.2108800), wk = 0.0040486
k( 133) = ( 0.4204545 -0.0012475 0.2053306), wk = 0.0040486
k( 134) = ( 0.4090909 -0.0012138 0.1997811), wk = 0.0040486
k( 135) = ( 0.3977273 -0.0011801 0.1942316), wk = 0.0040486
k( 136) = ( 0.3863636 -0.0011464 0.1886821), wk = 0.0040486
k( 137) = ( 0.3750000 -0.0011127 0.1831327), wk = 0.0040486
k( 138) = ( 0.3636364 -0.0010789 0.1775832), wk = 0.0040486
k( 139) = ( 0.3522727 -0.0010452 0.1720337), wk = 0.0040486
k( 140) = ( 0.3409091 -0.0010115 0.1664842), wk = 0.0040486
k( 141) = ( 0.3295455 -0.0009778 0.1609348), wk = 0.0040486
k( 142) = ( 0.3181818 -0.0009441 0.1553853), wk = 0.0040486
k( 143) = ( 0.3068182 -0.0009104 0.1498358), wk = 0.0040486
k( 144) = ( 0.2954545 -0.0008766 0.1442863), wk = 0.0040486
k( 145) = ( 0.2840909 -0.0008429 0.1387369), wk = 0.0040486
k( 146) = ( 0.2727273 -0.0008092 0.1331874), wk = 0.0040486
k( 147) = ( 0.2613636 -0.0007755 0.1276379), wk = 0.0040486
k( 148) = ( 0.2500000 -0.0007418 0.1220884), wk = 0.0040486
k( 149) = ( 0.2386364 -0.0007081 0.1165390), wk = 0.0040486
k( 150) = ( 0.2272727 -0.0006743 0.1109895), wk = 0.0040486
k( 151) = ( 0.2159091 -0.0006406 0.1054400), wk = 0.0040486
k( 152) = ( 0.2045454 -0.0006069 0.0998905), wk = 0.0040486
k( 153) = ( 0.1931818 -0.0005732 0.0943411), wk = 0.0040486
k( 154) = ( 0.1818182 -0.0005395 0.0887916), wk = 0.0040486
k( 155) = ( 0.1704546 -0.0005058 0.0832421), wk = 0.0040486
k( 156) = ( 0.1590909 -0.0004720 0.0776926), wk = 0.0040486
k( 157) = ( 0.1477273 -0.0004383 0.0721432), wk = 0.0040486
k( 158) = ( 0.1363636 -0.0004046 0.0665937), wk = 0.0040486
k( 159) = ( 0.1250000 -0.0003709 0.0610442), wk = 0.0040486
k( 160) = ( 0.1136364 -0.0003372 0.0554947), wk = 0.0040486
k( 161) = ( 0.1022727 -0.0003035 0.0499453), wk = 0.0040486
k( 162) = ( 0.0909091 -0.0002697 0.0443958), wk = 0.0040486
k( 163) = ( 0.0795455 -0.0002360 0.0388463), wk = 0.0040486
k( 164) = ( 0.0681818 -0.0002023 0.0332968), wk = 0.0040486
k( 165) = ( 0.0568182 -0.0001686 0.0277474), wk = 0.0040486
k( 166) = ( 0.0454546 -0.0001349 0.0221979), wk = 0.0040486
k( 167) = ( 0.0340909 -0.0001012 0.0166484), wk = 0.0040486
k( 168) = ( 0.0227273 -0.0000674 0.0110989), wk = 0.0040486
k( 169) = ( 0.0113636 -0.0000337 0.0055495), wk = 0.0040486
k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
k( 172) = ( 0.0000000 0.0090759 0.0090536), wk = 0.0040486
k( 173) = ( 0.0000000 0.0181517 0.0181072), wk = 0.0040486
k( 174) = ( 0.0000000 0.0272276 0.0271608), wk = 0.0040486
k( 175) = ( 0.0000000 0.0363034 0.0362144), wk = 0.0040486
k( 176) = ( 0.0000000 0.0453793 0.0452680), wk = 0.0040486
k( 177) = ( 0.0000000 0.0544552 0.0543216), wk = 0.0040486
k( 178) = ( 0.0000000 0.0635310 0.0633752), wk = 0.0040486
k( 179) = ( 0.0000000 0.0726069 0.0724288), wk = 0.0040486
k( 180) = ( 0.0000000 0.0816827 0.0814824), wk = 0.0040486
k( 181) = ( 0.0000000 0.0907586 0.0905360), wk = 0.0040486
k( 182) = ( 0.0000000 0.0998344 0.0995896), wk = 0.0040486
k( 183) = ( 0.0000000 0.1089103 0.1086431), wk = 0.0040486
k( 184) = ( 0.0000000 0.1179862 0.1176967), wk = 0.0040486
k( 185) = ( 0.0000000 0.1270620 0.1267503), wk = 0.0040486
k( 186) = ( 0.0000000 0.1361379 0.1358039), wk = 0.0040486
k( 187) = ( 0.0000000 0.1452137 0.1448575), wk = 0.0040486
k( 188) = ( 0.0000000 0.1542896 0.1539111), wk = 0.0040486
k( 189) = ( 0.0000000 0.1633655 0.1629647), wk = 0.0040486
k( 190) = ( 0.0000000 0.1724413 0.1720183), wk = 0.0040486
k( 191) = ( 0.0000000 0.1815172 0.1810719), wk = 0.0040486
k( 192) = ( 0.0000000 0.1905930 0.1901255), wk = 0.0040486
k( 193) = ( 0.0000000 0.1996689 0.1991791), wk = 0.0040486
k( 194) = ( 0.0000000 0.2087448 0.2082327), wk = 0.0040486
k( 195) = ( 0.0000000 0.2178206 0.2172863), wk = 0.0040486
k( 196) = ( 0.0000000 0.2268965 0.2263399), wk = 0.0040486
k( 197) = ( 0.0000000 0.2359723 0.2353935), wk = 0.0040486
k( 198) = ( 0.0000000 0.2450482 0.2444471), wk = 0.0040486
k( 199) = ( 0.5000000 0.2435647 0.2436648), wk = 0.0040486
k( 200) = ( 0.4895833 0.2384904 0.2385884), wk = 0.0040486
k( 201) = ( 0.4791667 0.2334161 0.2335121), wk = 0.0040486
k( 202) = ( 0.4687500 0.2283419 0.2284357), wk = 0.0040486
k( 203) = ( 0.4583333 0.2232676 0.2233594), wk = 0.0040486
k( 204) = ( 0.4479167 0.2181933 0.2182830), wk = 0.0040486
k( 205) = ( 0.4375000 0.2131191 0.2132067), wk = 0.0040486
k( 206) = ( 0.4270833 0.2080448 0.2081303), wk = 0.0040486
k( 207) = ( 0.4166667 0.2029705 0.2030540), wk = 0.0040486
k( 208) = ( 0.4062500 0.1978963 0.1979776), wk = 0.0040486
k( 209) = ( 0.3958333 0.1928220 0.1929013), wk = 0.0040486
k( 210) = ( 0.3854167 0.1877478 0.1878249), wk = 0.0040486
k( 211) = ( 0.3750000 0.1826735 0.1827486), wk = 0.0040486
k( 212) = ( 0.3645833 0.1775992 0.1776722), wk = 0.0040486
k( 213) = ( 0.3541667 0.1725250 0.1725959), wk = 0.0040486
k( 214) = ( 0.3437500 0.1674507 0.1675195), wk = 0.0040486
k( 215) = ( 0.3333333 0.1623764 0.1624432), wk = 0.0040486
k( 216) = ( 0.3229167 0.1573022 0.1573668), wk = 0.0040486
k( 217) = ( 0.3125000 0.1522279 0.1522905), wk = 0.0040486
k( 218) = ( 0.3020833 0.1471536 0.1472141), wk = 0.0040486
k( 219) = ( 0.2916667 0.1420794 0.1421378), wk = 0.0040486
k( 220) = ( 0.2812500 0.1370051 0.1370614), wk = 0.0040486
k( 221) = ( 0.2708333 0.1319309 0.1319851), wk = 0.0040486
k( 222) = ( 0.2604167 0.1268566 0.1269087), wk = 0.0040486
k( 223) = ( 0.2500000 0.1217823 0.1218324), wk = 0.0040486
k( 224) = ( 0.2395833 0.1167081 0.1167560), wk = 0.0040486
k( 225) = ( 0.2291667 0.1116338 0.1116797), wk = 0.0040486
k( 226) = ( 0.2187500 0.1065595 0.1066033), wk = 0.0040486
k( 227) = ( 0.2083333 0.1014853 0.1015270), wk = 0.0040486
k( 228) = ( 0.1979167 0.0964110 0.0964506), wk = 0.0040486
k( 229) = ( 0.1875000 0.0913367 0.0913743), wk = 0.0040486
k( 230) = ( 0.1770833 0.0862625 0.0862979), wk = 0.0040486
k( 231) = ( 0.1666667 0.0811882 0.0812216), wk = 0.0040486
k( 232) = ( 0.1562500 0.0761140 0.0761452), wk = 0.0040486
k( 233) = ( 0.1458333 0.0710397 0.0710689), wk = 0.0040486
k( 234) = ( 0.1354167 0.0659654 0.0659925), wk = 0.0040486
k( 235) = ( 0.1250000 0.0608912 0.0609162), wk = 0.0040486
k( 236) = ( 0.1145833 0.0558169 0.0558398), wk = 0.0040486
k( 237) = ( 0.1041667 0.0507426 0.0507635), wk = 0.0040486
k( 238) = ( 0.0937500 0.0456684 0.0456871), wk = 0.0040486
k( 239) = ( 0.0833333 0.0405941 0.0406108), wk = 0.0040486
k( 240) = ( 0.0729167 0.0355198 0.0355344), wk = 0.0040486
k( 241) = ( 0.0625000 0.0304456 0.0304581), wk = 0.0040486
k( 242) = ( 0.0520833 0.0253713 0.0253817), wk = 0.0040486
k( 243) = ( 0.0416667 0.0202971 0.0203054), wk = 0.0040486
k( 244) = ( 0.0312500 0.0152228 0.0152290), wk = 0.0040486
k( 245) = ( 0.0208333 0.0101485 0.0101527), wk = 0.0040486
k( 246) = ( 0.0104167 0.0050743 0.0050764), wk = 0.0040486
k( 247) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
cryst. coord.
k( 1) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040486
k( 2) = ( 0.4871795 0.0000000 -0.0000000), wk = 0.0040486
k( 3) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0040486
k( 4) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0040486
k( 5) = ( 0.4487179 -0.0000000 0.0000000), wk = 0.0040486
k( 6) = ( 0.4358974 0.0000000 -0.0000000), wk = 0.0040486
k( 7) = ( 0.4230769 0.0000000 -0.0000000), wk = 0.0040486
k( 8) = ( 0.4102564 -0.0000000 0.0000000), wk = 0.0040486
k( 9) = ( 0.3974359 0.0000000 -0.0000000), wk = 0.0040486
k( 10) = ( 0.3846154 -0.0000000 0.0000000), wk = 0.0040486
k( 11) = ( 0.3717949 0.0000000 -0.0000000), wk = 0.0040486
k( 12) = ( 0.3589744 -0.0000000 0.0000000), wk = 0.0040486
k( 13) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0040486
k( 14) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0040486
k( 15) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0040486
k( 16) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0040486
k( 17) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0040486
k( 18) = ( 0.2820513 -0.0000000 -0.0000000), wk = 0.0040486
k( 19) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0040486
k( 20) = ( 0.2564103 0.0000000 0.0000000), wk = 0.0040486
k( 21) = ( 0.2435897 0.0000000 -0.0000000), wk = 0.0040486
k( 22) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0040486
k( 23) = ( 0.2179487 0.0000000 -0.0000000), wk = 0.0040486
k( 24) = ( 0.2051282 -0.0000000 -0.0000000), wk = 0.0040486
k( 25) = ( 0.1923077 -0.0000000 0.0000000), wk = 0.0040486
k( 26) = ( 0.1794872 -0.0000000 0.0000000), wk = 0.0040486
k( 27) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0040486
k( 28) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0040486
k( 29) = ( 0.1410256 -0.0000000 -0.0000000), wk = 0.0040486
k( 30) = ( 0.1282051 0.0000000 0.0000000), wk = 0.0040486
k( 31) = ( 0.1153846 -0.0000000 0.0000000), wk = 0.0040486
k( 32) = ( 0.1025641 0.0000000 -0.0000000), wk = 0.0040486
k( 33) = ( 0.0897436 -0.0000000 0.0000000), wk = 0.0040486
k( 34) = ( 0.0769231 0.0000000 -0.0000000), wk = 0.0040486
k( 35) = ( 0.0641026 0.0000000 -0.0000000), wk = 0.0040486
k( 36) = ( 0.0512821 0.0000000 -0.0000000), wk = 0.0040486
k( 37) = ( 0.0384615 0.0000000 -0.0000000), wk = 0.0040486
k( 38) = ( 0.0256410 -0.0000000 0.0000000), wk = 0.0040486
k( 39) = ( 0.0128205 0.0000000 -0.0000000), wk = 0.0040486
k( 40) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
k( 41) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
k( 42) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0040486
k( 43) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0040486
k( 44) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0040486
k( 45) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0040486
k( 46) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0040486
k( 47) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0040486
k( 48) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0040486
k( 49) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0040486
k( 50) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0040486
k( 51) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0040486
k( 52) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0040486
k( 53) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0040486
k( 54) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0040486
k( 55) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0040486
k( 56) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0040486
k( 57) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0040486
k( 58) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0040486
k( 59) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0040486
k( 60) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040486
k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0040486
k( 62) = ( 0.4886364 0.4886364 -0.0000000), wk = 0.0040486
k( 63) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0040486
k( 64) = ( 0.4659091 0.4659091 -0.0000000), wk = 0.0040486
k( 65) = ( 0.4545455 0.4545454 0.0000000), wk = 0.0040486
k( 66) = ( 0.4431818 0.4431818 -0.0000000), wk = 0.0040486
k( 67) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0040486
k( 68) = ( 0.4204545 0.4204545 -0.0000000), wk = 0.0040486
k( 69) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0040486
k( 70) = ( 0.3977273 0.3977273 -0.0000000), wk = 0.0040486
k( 71) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0040486
k( 72) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0040486
k( 73) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0040486
k( 74) = ( 0.3522727 0.3522727 0.0000000), wk = 0.0040486
k( 75) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0040486
k( 76) = ( 0.3295455 0.3295454 -0.0000000), wk = 0.0040486
k( 77) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0040486
k( 78) = ( 0.3068182 0.3068182 -0.0000000), wk = 0.0040486
k( 79) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0040486
k( 80) = ( 0.2840909 0.2840909 -0.0000000), wk = 0.0040486
k( 81) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0040486
k( 82) = ( 0.2613636 0.2613636 -0.0000000), wk = 0.0040486
k( 83) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0040486
k( 84) = ( 0.2386364 0.2386364 0.0000000), wk = 0.0040486
k( 85) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0040486
k( 86) = ( 0.2159091 0.2159091 -0.0000000), wk = 0.0040486
k( 87) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0040486
k( 88) = ( 0.1931818 0.1931818 0.0000000), wk = 0.0040486
k( 89) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0040486
k( 90) = ( 0.1704546 0.1704546 -0.0000000), wk = 0.0040486
k( 91) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0040486
k( 92) = ( 0.1477273 0.1477273 -0.0000000), wk = 0.0040486
k( 93) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0040486
k( 94) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0040486
k( 95) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0040486
k( 96) = ( 0.1022727 0.1022727 -0.0000000), wk = 0.0040486
k( 97) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0040486
k( 98) = ( 0.0795455 0.0795455 -0.0000000), wk = 0.0040486
k( 99) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0040486
k( 100) = ( 0.0568182 0.0568182 -0.0000000), wk = 0.0040486
k( 101) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0040486
k( 102) = ( 0.0340909 0.0340909 -0.0000000), wk = 0.0040486
k( 103) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0040486
k( 104) = ( 0.0113636 0.0113636 -0.0000000), wk = 0.0040486
k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
k( 107) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0040486
k( 108) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0040486
k( 109) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0040486
k( 110) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0040486
k( 111) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0040486
k( 112) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0040486
k( 113) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0040486
k( 114) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0040486
k( 115) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0040486
k( 116) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0040486
k( 117) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0040486
k( 118) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0040486
k( 119) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0040486
k( 120) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0040486
k( 121) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0040486
k( 122) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0040486
k( 123) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0040486
k( 124) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0040486
k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040486
k( 126) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040486
k( 127) = ( 0.4886364 0.0000000 0.4886364), wk = 0.0040486
k( 128) = ( 0.4772727 0.0000000 0.4772727), wk = 0.0040486
k( 129) = ( 0.4659091 -0.0000000 0.4659091), wk = 0.0040486
k( 130) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0040486
k( 131) = ( 0.4431818 -0.0000000 0.4431818), wk = 0.0040486
k( 132) = ( 0.4318182 0.0000000 0.4318182), wk = 0.0040486
k( 133) = ( 0.4204545 -0.0000000 0.4204545), wk = 0.0040486
k( 134) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0040486
k( 135) = ( 0.3977273 -0.0000000 0.3977273), wk = 0.0040486
k( 136) = ( 0.3863636 -0.0000000 0.3863636), wk = 0.0040486
k( 137) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0040486
k( 138) = ( 0.3636364 0.0000000 0.3636364), wk = 0.0040486
k( 139) = ( 0.3522727 0.0000000 0.3522727), wk = 0.0040486
k( 140) = ( 0.3409091 -0.0000000 0.3409091), wk = 0.0040486
k( 141) = ( 0.3295455 0.0000000 0.3295455), wk = 0.0040486
k( 142) = ( 0.3181818 -0.0000000 0.3181818), wk = 0.0040486
k( 143) = ( 0.3068182 0.0000000 0.3068182), wk = 0.0040486
k( 144) = ( 0.2954545 -0.0000000 0.2954545), wk = 0.0040486
k( 145) = ( 0.2840909 0.0000000 0.2840909), wk = 0.0040486
k( 146) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0040486
k( 147) = ( 0.2613636 0.0000000 0.2613636), wk = 0.0040486
k( 148) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0040486
k( 149) = ( 0.2386364 -0.0000000 0.2386364), wk = 0.0040486
k( 150) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0040486
k( 151) = ( 0.2159091 0.0000000 0.2159091), wk = 0.0040486
k( 152) = ( 0.2045454 -0.0000000 0.2045454), wk = 0.0040486
k( 153) = ( 0.1931818 -0.0000000 0.1931818), wk = 0.0040486
k( 154) = ( 0.1818182 0.0000000 0.1818182), wk = 0.0040486
k( 155) = ( 0.1704546 0.0000000 0.1704546), wk = 0.0040486
k( 156) = ( 0.1590909 -0.0000000 0.1590909), wk = 0.0040486
k( 157) = ( 0.1477273 0.0000000 0.1477273), wk = 0.0040486
k( 158) = ( 0.1363636 -0.0000000 0.1363636), wk = 0.0040486
k( 159) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0040486
k( 160) = ( 0.1136364 0.0000000 0.1136364), wk = 0.0040486
k( 161) = ( 0.1022727 -0.0000000 0.1022727), wk = 0.0040486
k( 162) = ( 0.0909091 0.0000000 0.0909091), wk = 0.0040486
k( 163) = ( 0.0795455 -0.0000000 0.0795455), wk = 0.0040486
k( 164) = ( 0.0681818 -0.0000000 0.0681818), wk = 0.0040486
k( 165) = ( 0.0568182 0.0000000 0.0568182), wk = 0.0040486
k( 166) = ( 0.0454546 -0.0000000 0.0454546), wk = 0.0040486
k( 167) = ( 0.0340909 -0.0000000 0.0340909), wk = 0.0040486
k( 168) = ( 0.0227273 0.0000000 0.0227273), wk = 0.0040486
k( 169) = ( 0.0113636 0.0000000 0.0113636), wk = 0.0040486
k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
k( 171) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
k( 172) = ( 0.0000000 0.0185185 0.0185185), wk = 0.0040486
k( 173) = ( 0.0000000 0.0370370 0.0370370), wk = 0.0040486
k( 174) = ( 0.0000000 0.0555556 0.0555556), wk = 0.0040486
k( 175) = ( 0.0000000 0.0740741 0.0740741), wk = 0.0040486
k( 176) = ( 0.0000000 0.0925926 0.0925926), wk = 0.0040486
k( 177) = ( 0.0000000 0.1111111 0.1111111), wk = 0.0040486
k( 178) = ( 0.0000000 0.1296296 0.1296296), wk = 0.0040486
k( 179) = ( 0.0000000 0.1481482 0.1481482), wk = 0.0040486
k( 180) = ( 0.0000000 0.1666667 0.1666667), wk = 0.0040486
k( 181) = ( 0.0000000 0.1851852 0.1851852), wk = 0.0040486
k( 182) = ( 0.0000000 0.2037037 0.2037037), wk = 0.0040486
k( 183) = ( 0.0000000 0.2222222 0.2222222), wk = 0.0040486
k( 184) = ( 0.0000000 0.2407407 0.2407407), wk = 0.0040486
k( 185) = ( 0.0000000 0.2592593 0.2592593), wk = 0.0040486
k( 186) = ( 0.0000000 0.2777778 0.2777778), wk = 0.0040486
k( 187) = ( 0.0000000 0.2962963 0.2962963), wk = 0.0040486
k( 188) = ( 0.0000000 0.3148148 0.3148148), wk = 0.0040486
k( 189) = ( 0.0000000 0.3333333 0.3333333), wk = 0.0040486
k( 190) = ( 0.0000000 0.3518519 0.3518519), wk = 0.0040486
k( 191) = ( 0.0000000 0.3703704 0.3703704), wk = 0.0040486
k( 192) = ( 0.0000000 0.3888889 0.3888889), wk = 0.0040486
k( 193) = ( 0.0000000 0.4074074 0.4074074), wk = 0.0040486
k( 194) = ( 0.0000000 0.4259259 0.4259259), wk = 0.0040486
k( 195) = ( 0.0000000 0.4444444 0.4444444), wk = 0.0040486
k( 196) = ( 0.0000000 0.4629630 0.4629630), wk = 0.0040486
k( 197) = ( 0.0000000 0.4814815 0.4814815), wk = 0.0040486
k( 198) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0040486
k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040486
k( 200) = ( 0.4895833 0.4895833 0.4895833), wk = 0.0040486
k( 201) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0040486
k( 202) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0040486
k( 203) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0040486
k( 204) = ( 0.4479167 0.4479167 0.4479167), wk = 0.0040486
k( 205) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0040486
k( 206) = ( 0.4270833 0.4270833 0.4270833), wk = 0.0040486
k( 207) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0040486
k( 208) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0040486
k( 209) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0040486
k( 210) = ( 0.3854167 0.3854167 0.3854167), wk = 0.0040486
k( 211) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0040486
k( 212) = ( 0.3645833 0.3645833 0.3645833), wk = 0.0040486
k( 213) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0040486
k( 214) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0040486
k( 215) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0040486
k( 216) = ( 0.3229167 0.3229167 0.3229167), wk = 0.0040486
k( 217) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0040486
k( 218) = ( 0.3020833 0.3020833 0.3020833), wk = 0.0040486
k( 219) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0040486
k( 220) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0040486
k( 221) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0040486
k( 222) = ( 0.2604167 0.2604167 0.2604167), wk = 0.0040486
k( 223) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040486
k( 224) = ( 0.2395833 0.2395833 0.2395833), wk = 0.0040486
k( 225) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0040486
k( 226) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0040486
k( 227) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0040486
k( 228) = ( 0.1979167 0.1979167 0.1979167), wk = 0.0040486
k( 229) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0040486
k( 230) = ( 0.1770833 0.1770833 0.1770833), wk = 0.0040486
k( 231) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0040486
k( 232) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0040486
k( 233) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0040486
k( 234) = ( 0.1354167 0.1354167 0.1354167), wk = 0.0040486
k( 235) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0040486
k( 236) = ( 0.1145833 0.1145833 0.1145833), wk = 0.0040486
k( 237) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0040486
k( 238) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0040486
k( 239) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0040486
k( 240) = ( 0.0729167 0.0729167 0.0729167), wk = 0.0040486
k( 241) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0040486
k( 242) = ( 0.0520833 0.0520833 0.0520833), wk = 0.0040486
k( 243) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0040486
k( 244) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0040486
k( 245) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0040486
k( 246) = ( 0.0104167 0.0104167 0.0104167), wk = 0.0040486
k( 247) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040486
Dense grid: 182273 G-vectors FFT dimensions: ( 45, 90, 90)
Smooth grid: 100561 G-vectors FFT dimensions: ( 36, 75, 75)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.33 Mb ( 370, 58)
NL pseudopotentials 0.52 Mb ( 185, 184)
Each V/rho on FFT grid 0.12 Mb ( 8100)
Each G-vector array 0.02 Mb ( 2529)
G-vector shells 0.02 Mb ( 2414)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 1.31 Mb ( 370, 232)
Each subspace H/S matrix 0.02 Mb ( 38, 38)
Each <psi_i|beta_j> matrix 0.33 Mb ( 184, 2, 58)
Check: negative/imaginary core charge= -0.000001 0.000000
The potential is recalculated from file :
./ReNCl4.save/charge-density.dat
negative rho (up, down): 4.096E-05 0.000E+00
Starting wfc are 60 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 4.5 secs
Computing kpt #: 2
total cpu time spent up to now is 5.8 secs
Computing kpt #: 3
total cpu time spent up to now is 7.1 secs
Computing kpt #: 4
total cpu time spent up to now is 8.6 secs
Computing kpt #: 5
total cpu time spent up to now is 9.9 secs
Computing kpt #: 6
total cpu time spent up to now is 11.3 secs
Computing kpt #: 7
total cpu time spent up to now is 12.6 secs
Computing kpt #: 8
total cpu time spent up to now is 14.1 secs
Computing kpt #: 9
total cpu time spent up to now is 15.7 secs
Computing kpt #: 10
total cpu time spent up to now is 17.4 secs
Computing kpt #: 11
total cpu time spent up to now is 18.8 secs
Computing kpt #: 12
total cpu time spent up to now is 20.2 secs
Computing kpt #: 13
total cpu time spent up to now is 21.9 secs
Computing kpt #: 14
total cpu time spent up to now is 23.6 secs
Computing kpt #: 15
total cpu time spent up to now is 24.9 secs
Computing kpt #: 16
total cpu time spent up to now is 26.4 secs
Computing kpt #: 17
total cpu time spent up to now is 27.8 secs
Computing kpt #: 18
total cpu time spent up to now is 29.4 secs
Computing kpt #: 19
total cpu time spent up to now is 30.7 secs
Computing kpt #: 20
total cpu time spent up to now is 31.9 secs
Computing kpt #: 21
total cpu time spent up to now is 33.2 secs
Computing kpt #: 22
total cpu time spent up to now is 34.5 secs
Computing kpt #: 23
total cpu time spent up to now is 35.7 secs
Computing kpt #: 24
total cpu time spent up to now is 37.2 secs
Computing kpt #: 25
total cpu time spent up to now is 38.5 secs
Computing kpt #: 26
total cpu time spent up to now is 39.8 secs
Computing kpt #: 27
total cpu time spent up to now is 41.1 secs
Computing kpt #: 28
total cpu time spent up to now is 42.7 secs
Computing kpt #: 29
total cpu time spent up to now is 44.2 secs
Computing kpt #: 30
total cpu time spent up to now is 45.3 secs
Computing kpt #: 31
total cpu time spent up to now is 46.6 secs
Computing kpt #: 32
total cpu time spent up to now is 47.8 secs
Computing kpt #: 33
total cpu time spent up to now is 49.1 secs
Computing kpt #: 34
total cpu time spent up to now is 50.4 secs
Computing kpt #: 35
total cpu time spent up to now is 51.6 secs
Computing kpt #: 36
total cpu time spent up to now is 52.8 secs
Computing kpt #: 37
total cpu time spent up to now is 54.1 secs
Computing kpt #: 38
total cpu time spent up to now is 55.2 secs
Computing kpt #: 39
total cpu time spent up to now is 56.8 secs
Computing kpt #: 40
total cpu time spent up to now is 58.1 secs
Computing kpt #: 41
total cpu time spent up to now is 59.4 secs
Computing kpt #: 42
total cpu time spent up to now is 60.7 secs
Computing kpt #: 43
total cpu time spent up to now is 62.1 secs
Computing kpt #: 44
total cpu time spent up to now is 63.5 secs
Computing kpt #: 45
total cpu time spent up to now is 64.7 secs
Computing kpt #: 46
total cpu time spent up to now is 65.9 secs
Computing kpt #: 47
total cpu time spent up to now is 67.3 secs
Computing kpt #: 48
total cpu time spent up to now is 68.8 secs
Computing kpt #: 49
total cpu time spent up to now is 70.3 secs
Computing kpt #: 50
total cpu time spent up to now is 71.7 secs
Computing kpt #: 51
total cpu time spent up to now is 73.3 secs
Computing kpt #: 52
total cpu time spent up to now is 74.8 secs
Computing kpt #: 53
total cpu time spent up to now is 76.1 secs
Computing kpt #: 54
total cpu time spent up to now is 77.7 secs
Computing kpt #: 55
total cpu time spent up to now is 79.3 secs
Computing kpt #: 56
total cpu time spent up to now is 80.8 secs
Computing kpt #: 57
total cpu time spent up to now is 82.4 secs
Computing kpt #: 58
total cpu time spent up to now is 83.9 secs
Computing kpt #: 59
total cpu time spent up to now is 85.3 secs
Computing kpt #: 60
total cpu time spent up to now is 86.8 secs
Computing kpt #: 61
total cpu time spent up to now is 88.3 secs
Computing kpt #: 62
total cpu time spent up to now is 89.7 secs
Computing kpt #: 63
total cpu time spent up to now is 91.1 secs
Computing kpt #: 64
total cpu time spent up to now is 92.5 secs
Computing kpt #: 65
total cpu time spent up to now is 94.0 secs
Computing kpt #: 66
total cpu time spent up to now is 95.2 secs
Computing kpt #: 67
total cpu time spent up to now is 96.4 secs
Computing kpt #: 68
total cpu time spent up to now is 98.3 secs
Computing kpt #: 69
total cpu time spent up to now is 99.6 secs
Computing kpt #: 70
total cpu time spent up to now is 100.9 secs
Computing kpt #: 71
total cpu time spent up to now is 102.3 secs
Computing kpt #: 72
total cpu time spent up to now is 103.7 secs
Computing kpt #: 73
total cpu time spent up to now is 105.2 secs
Computing kpt #: 74
total cpu time spent up to now is 106.5 secs
Computing kpt #: 75
total cpu time spent up to now is 107.7 secs
Computing kpt #: 76
total cpu time spent up to now is 108.9 secs
Computing kpt #: 77
total cpu time spent up to now is 110.3 secs
Computing kpt #: 78
total cpu time spent up to now is 111.6 secs
Computing kpt #: 79
total cpu time spent up to now is 113.0 secs
Computing kpt #: 80
total cpu time spent up to now is 114.2 secs
Computing kpt #: 81
total cpu time spent up to now is 115.5 secs
Computing kpt #: 82
total cpu time spent up to now is 117.0 secs
Computing kpt #: 83
total cpu time spent up to now is 118.5 secs
Computing kpt #: 84
total cpu time spent up to now is 119.8 secs
Computing kpt #: 85
total cpu time spent up to now is 121.1 secs
Computing kpt #: 86
total cpu time spent up to now is 122.6 secs
Computing kpt #: 87
total cpu time spent up to now is 124.1 secs
Computing kpt #: 88
total cpu time spent up to now is 125.5 secs
Computing kpt #: 89
total cpu time spent up to now is 126.8 secs
Computing kpt #: 90
total cpu time spent up to now is 128.6 secs
Computing kpt #: 91
total cpu time spent up to now is 130.1 secs
Computing kpt #: 92
total cpu time spent up to now is 131.6 secs
Computing kpt #: 93
total cpu time spent up to now is 133.1 secs
Computing kpt #: 94
total cpu time spent up to now is 134.4 secs
Computing kpt #: 95
total cpu time spent up to now is 135.9 secs
Computing kpt #: 96
total cpu time spent up to now is 137.3 secs
Computing kpt #: 97
total cpu time spent up to now is 138.6 secs
Computing kpt #: 98
total cpu time spent up to now is 139.7 secs
Computing kpt #: 99
total cpu time spent up to now is 142.1 secs
Computing kpt #: 100
total cpu time spent up to now is 143.4 secs
Computing kpt #: 101
total cpu time spent up to now is 144.9 secs
Computing kpt #: 102
total cpu time spent up to now is 146.3 secs
Computing kpt #: 103
total cpu time spent up to now is 147.7 secs
Computing kpt #: 104
total cpu time spent up to now is 149.0 secs
Computing kpt #: 105
total cpu time spent up to now is 150.1 secs
Computing kpt #: 106
total cpu time spent up to now is 151.2 secs
Computing kpt #: 107
total cpu time spent up to now is 152.5 secs
Computing kpt #: 108
total cpu time spent up to now is 153.8 secs
Computing kpt #: 109
total cpu time spent up to now is 155.3 secs
Computing kpt #: 110
total cpu time spent up to now is 156.6 secs
Computing kpt #: 111
total cpu time spent up to now is 157.6 secs
Computing kpt #: 112
total cpu time spent up to now is 159.1 secs
Computing kpt #: 113
total cpu time spent up to now is 160.2 secs
Computing kpt #: 114
total cpu time spent up to now is 161.4 secs
Computing kpt #: 115
total cpu time spent up to now is 162.7 secs
Computing kpt #: 116
total cpu time spent up to now is 163.8 secs
Computing kpt #: 117
total cpu time spent up to now is 165.1 secs
Computing kpt #: 118
total cpu time spent up to now is 166.4 secs
Computing kpt #: 119
total cpu time spent up to now is 167.7 secs
Computing kpt #: 120
total cpu time spent up to now is 169.3 secs
Computing kpt #: 121
total cpu time spent up to now is 170.7 secs
Computing kpt #: 122
total cpu time spent up to now is 172.1 secs
Computing kpt #: 123
total cpu time spent up to now is 173.6 secs
Computing kpt #: 124
total cpu time spent up to now is 175.1 secs
Computing kpt #: 125
total cpu time spent up to now is 176.9 secs
Computing kpt #: 126
total cpu time spent up to now is 178.3 secs
Computing kpt #: 127
total cpu time spent up to now is 179.8 secs
Computing kpt #: 128
total cpu time spent up to now is 181.3 secs
Computing kpt #: 129
total cpu time spent up to now is 182.8 secs
Computing kpt #: 130
total cpu time spent up to now is 184.3 secs
Computing kpt #: 131
total cpu time spent up to now is 185.5 secs
Computing kpt #: 132
total cpu time spent up to now is 187.1 secs
Computing kpt #: 133
total cpu time spent up to now is 188.7 secs
Computing kpt #: 134
total cpu time spent up to now is 190.2 secs
Computing kpt #: 135
total cpu time spent up to now is 191.5 secs
Computing kpt #: 136
total cpu time spent up to now is 192.9 secs
Computing kpt #: 137
total cpu time spent up to now is 194.3 secs
Computing kpt #: 138
total cpu time spent up to now is 195.8 secs
Computing kpt #: 139
total cpu time spent up to now is 197.1 secs
Computing kpt #: 140
total cpu time spent up to now is 198.7 secs
Computing kpt #: 141
total cpu time spent up to now is 200.1 secs
Computing kpt #: 142
total cpu time spent up to now is 201.4 secs
Computing kpt #: 143
total cpu time spent up to now is 202.8 secs
Computing kpt #: 144
total cpu time spent up to now is 204.2 secs
Computing kpt #: 145
total cpu time spent up to now is 205.7 secs
Computing kpt #: 146
total cpu time spent up to now is 207.4 secs
Computing kpt #: 147
total cpu time spent up to now is 208.9 secs
Computing kpt #: 148
total cpu time spent up to now is 210.4 secs
Computing kpt #: 149
total cpu time spent up to now is 212.0 secs
Computing kpt #: 150
total cpu time spent up to now is 213.5 secs
Computing kpt #: 151
total cpu time spent up to now is 214.8 secs
Computing kpt #: 152
total cpu time spent up to now is 216.1 secs
Computing kpt #: 153
total cpu time spent up to now is 217.5 secs
Computing kpt #: 154
total cpu time spent up to now is 219.0 secs
Computing kpt #: 155
total cpu time spent up to now is 220.8 secs
Computing kpt #: 156
total cpu time spent up to now is 222.0 secs
Computing kpt #: 157
total cpu time spent up to now is 223.2 secs
Computing kpt #: 158
total cpu time spent up to now is 224.4 secs
Computing kpt #: 159
total cpu time spent up to now is 225.8 secs
Computing kpt #: 160
total cpu time spent up to now is 227.1 secs
Computing kpt #: 161
total cpu time spent up to now is 228.4 secs
Computing kpt #: 162
total cpu time spent up to now is 229.7 secs
Computing kpt #: 163
total cpu time spent up to now is 231.0 secs
Computing kpt #: 164
total cpu time spent up to now is 232.6 secs
Computing kpt #: 165
total cpu time spent up to now is 233.9 secs
Computing kpt #: 166
total cpu time spent up to now is 235.0 secs
Computing kpt #: 167
total cpu time spent up to now is 236.1 secs
Computing kpt #: 168
total cpu time spent up to now is 237.5 secs
Computing kpt #: 169
total cpu time spent up to now is 238.7 secs
Computing kpt #: 170
total cpu time spent up to now is 240.1 secs
Computing kpt #: 171
total cpu time spent up to now is 241.4 secs
Computing kpt #: 172
total cpu time spent up to now is 242.6 secs
Computing kpt #: 173
total cpu time spent up to now is 243.8 secs
Computing kpt #: 174
total cpu time spent up to now is 245.0 secs
Computing kpt #: 175
total cpu time spent up to now is 246.2 secs
Computing kpt #: 176
total cpu time spent up to now is 247.4 secs
Computing kpt #: 177
total cpu time spent up to now is 248.7 secs
Computing kpt #: 178
total cpu time spent up to now is 249.9 secs
Computing kpt #: 179
total cpu time spent up to now is 251.1 secs
Computing kpt #: 180
total cpu time spent up to now is 252.4 secs
Computing kpt #: 181
total cpu time spent up to now is 253.7 secs
Computing kpt #: 182
total cpu time spent up to now is 255.0 secs
Computing kpt #: 183
total cpu time spent up to now is 256.3 secs
Computing kpt #: 184
total cpu time spent up to now is 257.6 secs
Computing kpt #: 185
total cpu time spent up to now is 258.9 secs
Computing kpt #: 186
total cpu time spent up to now is 260.4 secs
Computing kpt #: 187
total cpu time spent up to now is 261.9 secs
Computing kpt #: 188
total cpu time spent up to now is 263.3 secs
Computing kpt #: 189
total cpu time spent up to now is 264.5 secs
Computing kpt #: 190
total cpu time spent up to now is 265.8 secs
Computing kpt #: 191
total cpu time spent up to now is 267.1 secs
Computing kpt #: 192
total cpu time spent up to now is 268.5 secs
Computing kpt #: 193
total cpu time spent up to now is 269.8 secs
Computing kpt #: 194
total cpu time spent up to now is 271.3 secs
Computing kpt #: 195
total cpu time spent up to now is 272.6 secs
Computing kpt #: 196
total cpu time spent up to now is 273.9 secs
Computing kpt #: 197
total cpu time spent up to now is 275.2 secs
Computing kpt #: 198
total cpu time spent up to now is 276.5 secs
Computing kpt #: 199
total cpu time spent up to now is 278.1 secs
Computing kpt #: 200
total cpu time spent up to now is 279.5 secs
Computing kpt #: 201
total cpu time spent up to now is 280.9 secs
Computing kpt #: 202
total cpu time spent up to now is 282.5 secs
Computing kpt #: 203
total cpu time spent up to now is 284.0 secs
Computing kpt #: 204
total cpu time spent up to now is 285.4 secs
Computing kpt #: 205
total cpu time spent up to now is 286.7 secs
Computing kpt #: 206
total cpu time spent up to now is 288.2 secs
Computing kpt #: 207
total cpu time spent up to now is 289.6 secs
Computing kpt #: 208
total cpu time spent up to now is 291.1 secs
Computing kpt #: 209
total cpu time spent up to now is 292.6 secs
Computing kpt #: 210
total cpu time spent up to now is 293.8 secs
Computing kpt #: 211
total cpu time spent up to now is 295.4 secs
Computing kpt #: 212
total cpu time spent up to now is 296.8 secs
Computing kpt #: 213
total cpu time spent up to now is 298.2 secs
Computing kpt #: 214
total cpu time spent up to now is 299.4 secs
Computing kpt #: 215
total cpu time spent up to now is 300.8 secs
Computing kpt #: 216
total cpu time spent up to now is 302.0 secs
Computing kpt #: 217
total cpu time spent up to now is 303.5 secs
Computing kpt #: 218
total cpu time spent up to now is 304.9 secs
Computing kpt #: 219
total cpu time spent up to now is 306.3 secs
Computing kpt #: 220
total cpu time spent up to now is 307.8 secs
Computing kpt #: 221
total cpu time spent up to now is 309.0 secs
Computing kpt #: 222
total cpu time spent up to now is 310.2 secs
Computing kpt #: 223
total cpu time spent up to now is 311.5 secs
Computing kpt #: 224
total cpu time spent up to now is 312.8 secs
Computing kpt #: 225
total cpu time spent up to now is 314.5 secs
Computing kpt #: 226
total cpu time spent up to now is 316.0 secs
Computing kpt #: 227
total cpu time spent up to now is 317.5 secs
Computing kpt #: 228
total cpu time spent up to now is 319.4 secs
Computing kpt #: 229
total cpu time spent up to now is 321.1 secs
Computing kpt #: 230
total cpu time spent up to now is 322.4 secs
Computing kpt #: 231
total cpu time spent up to now is 323.8 secs
Computing kpt #: 232
total cpu time spent up to now is 325.3 secs
Computing kpt #: 233
total cpu time spent up to now is 327.1 secs
Computing kpt #: 234
total cpu time spent up to now is 328.5 secs
Computing kpt #: 235
total cpu time spent up to now is 330.1 secs
Computing kpt #: 236
total cpu time spent up to now is 331.5 secs
Computing kpt #: 237
total cpu time spent up to now is 333.0 secs
Computing kpt #: 238
total cpu time spent up to now is 334.5 secs
Computing kpt #: 239
total cpu time spent up to now is 335.8 secs
Computing kpt #: 240
total cpu time spent up to now is 337.2 secs
Computing kpt #: 241
total cpu time spent up to now is 338.6 secs
Computing kpt #: 242
total cpu time spent up to now is 340.0 secs
Computing kpt #: 243
total cpu time spent up to now is 341.4 secs
Computing kpt #: 244
total cpu time spent up to now is 342.7 secs
Computing kpt #: 245
total cpu time spent up to now is 343.8 secs
Computing kpt #: 246
total cpu time spent up to now is 345.3 secs
Computing kpt #: 247
total cpu time spent up to now is 346.6 secs
ethr = 2.08E-08, avg # of iterations = 14.6
total cpu time spent up to now is 346.6 secs
End of band structure calculation
k = 0.5000-0.0015-0.0008 ( 12608 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9365 -42.2814 -42.2814 -41.9302 -41.9302
-16.5196 -16.5196 -16.0484 -16.0484 -15.7073 -15.7073 -15.4593 -15.4593
-14.9514 -14.9514 -7.8102 -7.8102 -7.1674 -7.1674 -7.0682 -7.0682
-6.6557 -6.6557 -6.5658 -6.5658 -5.9258 -5.9258 -4.6718 -4.6718
-4.4601 -4.4601 -3.8747 -3.8747 -3.5533 -3.5533 -3.2498 -3.2498
-3.1620 -3.1620 -2.7876 -2.7876 -2.7311 -2.7311 -2.4919 -2.4919
-1.0935 -1.0935 1.9271 1.9271 2.0982 2.0982 2.4953 2.4953
4.4696 4.4696
k = 0.4872-0.0014-0.0008 ( 12607 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9365 -42.2814 -42.2813 -41.9302 -41.9302
-16.5204 -16.5193 -16.0486 -16.0484 -15.7086 -15.7063 -15.4601 -15.4587
-14.9536 -14.9524 -7.8107 -7.8026 -7.1711 -7.1610 -7.0678 -7.0663
-6.6556 -6.6550 -6.5660 -6.5651 -5.9261 -5.9257 -4.6725 -4.6716
-4.4605 -4.4600 -3.8737 -3.8736 -3.5527 -3.5522 -3.2501 -3.2497
-3.1623 -3.1619 -2.7876 -2.7872 -2.7312 -2.7308 -2.4921 -2.4920
-1.0937 -1.0936 1.9219 1.9274 2.0953 2.0974 2.4920 2.4950
4.4653 4.4689
k = 0.4744-0.0014-0.0007 ( 12604 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9365 -42.2813 -42.2813 -41.9302 -41.9302
-16.5218 -16.5196 -16.0490 -16.0486 -15.7102 -15.7056 -15.4612 -15.4584
-14.9592 -14.9566 -7.8040 -7.7877 -7.1719 -7.1516 -7.0651 -7.0621
-6.6544 -6.6532 -6.5656 -6.5638 -5.9268 -5.9259 -4.6736 -4.6718
-4.4614 -4.4604 -3.8707 -3.8704 -3.5504 -3.5495 -3.2506 -3.2498
-3.1627 -3.1619 -2.7873 -2.7865 -2.7310 -2.7300 -2.4925 -2.4923
-1.0941 -1.0938 1.9119 1.9230 2.0889 2.0932 2.4853 2.4914
4.4561 4.4633
k = 0.4615-0.0014-0.0007 ( 12604 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9365 -42.2812 -42.2812 -41.9302 -41.9302
-16.5237 -16.5205 -16.0495 -16.0489 -15.7122 -15.7051 -15.4625 -15.4583
-14.9679 -14.9639 -7.7905 -7.7656 -7.1700 -7.1394 -7.0601 -7.0556
-6.6523 -6.6504 -6.5646 -6.5618 -5.9277 -5.9263 -4.6751 -4.6724
-4.4627 -4.4612 -3.8657 -3.8652 -3.5465 -3.5451 -3.2512 -3.2501
-3.1632 -3.1620 -2.7866 -2.7854 -2.7304 -2.7290 -2.4931 -2.4927
-1.0946 -1.0942 1.8969 1.9138 2.0788 2.0856 2.4755 2.4846
4.4420 4.4527
k = 0.4487-0.0013-0.0007 ( 12602 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9365 -42.2811 -42.2811 -41.9302 -41.9302
-16.5262 -16.5219 -16.0502 -16.0494 -15.7144 -15.7050 -15.4642 -15.4585
-14.9797 -14.9743 -7.7705 -7.7367 -7.1654 -7.1243 -7.0529 -7.0469
-6.6492 -6.6466 -6.5628 -6.5590 -5.9288 -5.9270 -4.6771 -4.6734
-4.4643 -4.4624 -3.8586 -3.8580 -3.5410 -3.5391 -3.2520 -3.2505
-3.1639 -3.1622 -2.7856 -2.7840 -2.7295 -2.7277 -2.4938 -2.4934
-1.0953 -1.0948 1.8770 1.9000 2.0651 2.0745 2.4628 2.4749
4.4233 4.4375
k = 0.4359-0.0013-0.0007 ( 12590 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2810 -42.2810 -41.9302 -41.9302
-16.5292 -16.5239 -16.0511 -16.0501 -15.7169 -15.7052 -15.4661 -15.4590
-14.9944 -14.9876 -7.7446 -7.7014 -7.1583 -7.1063 -7.0436 -7.0359
-6.6451 -6.6415 -6.5601 -6.5549 -5.9302 -5.9280 -4.6795 -4.6749
-4.4664 -4.4640 -3.8496 -3.8488 -3.5339 -3.5316 -3.2530 -3.2512
-3.1646 -3.1626 -2.7844 -2.7824 -2.7284 -2.7261 -2.4948 -2.4943
-1.0962 -1.0956 1.8522 1.8814 2.0476 2.0599 2.4479 2.4628
4.4001 4.4176
k = 0.4231-0.0013-0.0007 ( 12585 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9364 -42.2809 -42.2808 -41.9302 -41.9302
-16.5327 -16.5265 -16.0522 -16.0509 -15.7198 -15.7056 -15.4683 -15.4597
-15.0118 -15.0035 -7.7133 -7.6600 -7.1486 -7.0857 -7.0321 -7.0227
-6.6401 -6.6354 -6.5559 -6.5491 -5.9318 -5.9291 -4.6823 -4.6767
-4.4689 -4.4660 -3.8386 -3.8376 -3.5253 -3.5224 -3.2542 -3.2520
-3.1655 -3.1632 -2.7829 -2.7805 -2.7270 -2.7243 -2.4960 -2.4954
-1.0973 -1.0966 1.8227 1.8583 2.0264 2.0417 2.4312 2.4489
4.3727 4.3934
k = 0.4103-0.0012-0.0006 ( 12586 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9364 -42.2807 -42.2806 -41.9303 -41.9303
-16.5368 -16.5296 -16.0534 -16.0520 -15.7229 -15.7063 -15.4707 -15.4606
-15.0318 -15.0218 -7.6773 -7.6133 -7.1364 -7.0628 -7.0185 -7.0074
-6.6342 -6.6282 -6.5498 -6.5409 -5.9337 -5.9305 -4.6856 -4.6790
-4.4718 -4.4684 -3.8258 -3.8247 -3.5151 -3.5119 -3.2555 -3.2530
-3.1665 -3.1638 -2.7812 -2.7785 -2.7254 -2.7223 -2.4974 -2.4967
-1.0985 -1.0977 1.7887 1.8306 2.0013 2.0197 2.4136 2.4336
4.3413 4.3651
k = 0.3974-0.0012-0.0006 ( 12592 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9364 -42.2805 -42.2804 -41.9303 -41.9303
-16.5414 -16.5333 -16.0548 -16.0531 -15.7263 -15.7073 -15.4735 -15.4617
-15.0541 -15.0422 -7.6374 -7.5622 -7.1218 -7.0380 -7.0028 -6.9900
-6.6277 -6.6203 -6.5406 -6.5292 -5.9357 -5.9320 -4.6893 -4.6817
-4.4751 -4.4713 -3.8112 -3.8099 -3.5035 -3.4999 -3.2570 -3.2542
-3.1677 -3.1647 -2.7793 -2.7763 -2.7236 -2.7201 -2.4989 -2.4981
-1.1000 -1.0990 1.7505 1.7987 1.9725 1.9937 2.3956 2.4177
4.3062 4.3330
k = 0.3846-0.0011-0.0006 ( 12585 PWs) bands (ev):
-82.9552 -82.9552 -52.9364 -52.9364 -42.2803 -42.2802 -41.9303 -41.9303
-16.5465 -16.5375 -16.0563 -16.0544 -15.7301 -15.7085 -15.4766 -15.4631
-15.0783 -15.0645 -7.5945 -7.5077 -7.1049 -7.0122 -6.9849 -6.9707
-6.6210 -6.6122 -6.5271 -6.5127 -5.9379 -5.9338 -4.6935 -4.6847
-4.4788 -4.4746 -3.7949 -3.7935 -3.4906 -3.4865 -3.2586 -3.2555
-3.1689 -3.1657 -2.7774 -2.7740 -2.7217 -2.7177 -2.5006 -2.4997
-1.1015 -1.1005 1.7086 1.7628 1.9400 1.9635 2.3779 2.4015
4.2676 4.2973
k = 0.3718-0.0011-0.0006 ( 12570 PWs) bands (ev):
-82.9552 -82.9552 -52.9364 -52.9363 -42.2800 -42.2799 -41.9303 -41.9303
-16.5521 -16.5423 -16.0579 -16.0559 -15.7341 -15.7101 -15.4800 -15.4646
-15.1042 -15.0883 -7.5495 -7.4509 -7.0858 -6.9868 -6.9644 -6.9494
-6.6143 -6.6045 -6.5077 -6.4897 -5.9404 -5.9356 -4.6981 -4.6882
-4.4830 -4.4784 -3.7770 -3.7755 -3.4764 -3.4719 -3.2604 -3.2570
-3.1702 -3.1668 -2.7755 -2.7718 -2.7198 -2.7154 -2.5025 -2.5015
-1.1032 -1.1021 1.6634 1.7233 1.9038 1.9292 2.3609 2.3855
4.2259 4.2584
k = 0.3590-0.0011-0.0006 ( 12555 PWs) bands (ev):
-82.9552 -82.9552 -52.9364 -52.9363 -42.2797 -42.2796 -41.9303 -41.9303
-16.5583 -16.5476 -16.0597 -16.0574 -15.7385 -15.7119 -15.4838 -15.4664
-15.1315 -15.1134 -7.5032 -7.3935 -7.0644 -6.9630 -6.9414 -6.9261
-6.6079 -6.5974 -6.4811 -6.4587 -5.9429 -5.9376 -4.7032 -4.6921
-4.4876 -4.4826 -3.7576 -3.7560 -3.4611 -3.4561 -3.2623 -3.2586
-3.1717 -3.1680 -2.7736 -2.7697 -2.7177 -2.7130 -2.5045 -2.5035
-1.1050 -1.1038 1.6154 1.6806 1.8642 1.8909 2.3450 2.3702
4.1814 4.2165
k = 0.3462-0.0010-0.0005 ( 12559 PWs) bands (ev):
-82.9552 -82.9552 -52.9363 -52.9363 -42.2794 -42.2793 -41.9304 -41.9304
-16.5648 -16.5535 -16.0616 -16.0591 -15.7431 -15.7139 -15.4879 -15.4685
-15.1599 -15.1393 -7.4564 -7.3368 -7.0411 -6.9409 -6.9168 -6.9011
-6.6017 -6.5908 -6.4462 -6.4183 -5.9455 -5.9396 -4.7087 -4.6963
-4.4926 -4.4873 -3.7369 -3.7352 -3.4447 -3.4393 -3.2643 -3.2603
-3.1732 -3.1695 -2.7719 -2.7677 -2.7157 -2.7106 -2.5066 -2.5055
-1.1070 -1.1057 1.5651 1.6351 1.8215 1.8489 2.3304 2.3556
4.1342 4.1719
k = 0.3333-0.0010-0.0005 ( 12556 PWs) bands (ev):
-82.9552 -82.9552 -52.9363 -52.9362 -42.2791 -42.2790 -41.9304 -41.9304
-16.5719 -16.5600 -16.0635 -16.0609 -15.7481 -15.7163 -15.4924 -15.4707
-15.1890 -15.1657 -7.4100 -7.2823 -7.0159 -6.9201 -6.8919 -6.8746
-6.5955 -6.5845 -6.4021 -6.3678 -5.9482 -5.9416 -4.7146 -4.7009
-4.4981 -4.4924 -3.7150 -3.7131 -3.4273 -3.4215 -3.2663 -3.2622
-3.1749 -3.1710 -2.7704 -2.7660 -2.7138 -2.7083 -2.5089 -2.5078
-1.1090 -1.1077 1.5130 1.5874 1.7761 1.8037 2.3170 2.3419
4.0847 4.1249
k = 0.3205-0.0010-0.0005 ( 12545 PWs) bands (ev):
-82.9552 -82.9552 -52.9363 -52.9362 -42.2788 -42.2787 -41.9304 -41.9304
-16.5793 -16.5669 -16.0656 -16.0628 -15.7533 -15.7189 -15.4973 -15.4732
-15.2185 -15.1924 -7.3645 -7.2316 -6.9892 -6.9002 -6.8671 -6.8474
-6.5890 -6.5779 -6.3480 -6.3070 -5.9509 -5.9435 -4.7209 -4.7058
-4.5040 -4.4980 -3.6921 -3.6901 -3.4092 -3.4029 -3.2685 -3.2641
-3.1767 -3.1727 -2.7692 -2.7646 -2.7120 -2.7062 -2.5113 -2.5101
-1.1112 -1.1097 1.4597 1.5380 1.7284 1.7559 2.3049 2.3291
4.0330 4.0757
k = 0.3077-0.0009-0.0005 ( 12541 PWs) bands (ev):
-82.9552 -82.9552 -52.9362 -52.9362 -42.2784 -42.2783 -41.9305 -41.9305
-16.5872 -16.5743 -16.0677 -16.0648 -15.7588 -15.7218 -15.5027 -15.4759
-15.2480 -15.2189 -7.3204 -7.1857 -6.9613 -6.8813 -6.8421 -6.8198
-6.5819 -6.5706 -6.2836 -6.2364 -5.9536 -5.9451 -4.7277 -4.7111
-4.5104 -4.5040 -3.6682 -3.6662 -3.3904 -3.3837 -3.2707 -3.2660
-3.1785 -3.1744 -2.7683 -2.7636 -2.7104 -2.7043 -2.5137 -2.5125
-1.1134 -1.1119 1.4055 1.4874 1.6791 1.7061 2.2939 2.3173
3.9793 4.0246
k = 0.2949-0.0009-0.0005 ( 12547 PWs) bands (ev):
-82.9552 -82.9552 -52.9362 -52.9361 -42.2781 -42.2780 -41.9305 -41.9305
-16.5955 -16.5822 -16.0699 -16.0668 -15.7646 -15.7250 -15.5086 -15.4790
-15.2771 -15.2450 -7.2781 -7.1451 -6.9328 -6.8635 -6.8168 -6.7922
-6.5736 -6.5622 -6.2093 -6.1570 -5.9559 -5.9461 -4.7348 -4.7165
-4.5172 -4.5106 -3.6437 -3.6416 -3.3711 -3.3639 -3.2729 -3.2679
-3.1804 -3.1763 -2.7678 -2.7631 -2.7089 -2.7026 -2.5162 -2.5150
-1.1157 -1.1142 1.3511 1.4360 1.6286 1.6548 2.2840 2.3063
3.9239 3.9717
k = 0.2821-0.0008-0.0004 ( 12548 PWs) bands (ev):
-82.9552 -82.9552 -52.9362 -52.9361 -42.2777 -42.2776 -41.9306 -41.9306
-16.6041 -16.5905 -16.0722 -16.0689 -15.7706 -15.7285 -15.5151 -15.4825
-15.3056 -15.2702 -7.2381 -7.1101 -6.9044 -6.8468 -6.7908 -6.7647
-6.5637 -6.5521 -6.1259 -6.0714 -5.9575 -5.9449 -4.7424 -4.7222
-4.5244 -4.5176 -3.6187 -3.6165 -3.3517 -3.3439 -3.2751 -3.2698
-3.1824 -3.1781 -2.7678 -2.7631 -2.7077 -2.7013 -2.5188 -2.5176
-1.1181 -1.1165 1.2969 1.3843 1.5775 1.6027 2.2749 2.2961
3.8668 3.9172
k = 0.2692-0.0008-0.0004 ( 12558 PWs) bands (ev):
-82.9552 -82.9552 -52.9362 -52.9361 -42.2774 -42.2772 -41.9306 -41.9306
-16.6130 -16.5993 -16.0745 -16.0711 -15.7769 -15.7324 -15.5223 -15.4864
-15.3329 -15.2944 -7.2005 -7.0803 -6.8768 -6.8312 -6.7637 -6.7375
-6.5516 -6.5400 -6.0373 -5.9932 -5.9545 -5.9302 -4.7502 -4.7279
-4.5322 -4.5250 -3.5935 -3.5913 -3.3322 -3.3239 -3.2770 -3.2714
-3.1844 -3.1800 -2.7683 -2.7638 -2.7068 -2.7002 -2.5214 -2.5202
-1.1205 -1.1189 1.2433 1.3328 1.5264 1.5504 2.2667 2.2866
3.8081 3.8612
k = 0.2564-0.0008-0.0004 ( 12550 PWs) bands (ev):
-82.9552 -82.9552 -52.9361 -52.9360 -42.2770 -42.2769 -41.9307 -41.9307
-16.6222 -16.6084 -16.0768 -16.0732 -15.7834 -15.7367 -15.5302 -15.4910
-15.3586 -15.3172 -7.1656 -7.0554 -6.8508 -6.8165 -6.7356 -6.7108
-6.5368 -6.5251 -5.9754 -5.9713 -5.9138 -5.8563 -4.7582 -4.7336
-4.5403 -4.5330 -3.5683 -3.5661 -3.3134 -3.3046 -3.2782 -3.2724
-3.1865 -3.1819 -2.7694 -2.7651 -2.7061 -2.6995 -2.5240 -2.5229
-1.1229 -1.1213 1.1908 1.2820 1.4757 1.4984 2.2591 2.2778
3.7480 3.8039
k = 0.2436-0.0007-0.0004 ( 12556 PWs) bands (ev):
-82.9552 -82.9552 -52.9361 -52.9360 -42.2766 -42.2765 -41.9308 -41.9307
-16.6316 -16.6178 -16.0791 -16.0754 -15.7901 -15.7414 -15.5387 -15.4964
-15.3823 -15.3384 -7.1339 -7.0347 -6.8270 -6.8025 -6.7064 -6.6847
-6.5191 -6.5072 -5.9711 -5.9659 -5.8160 -5.7543 -4.7664 -4.7391
-4.5489 -4.5413 -3.5433 -3.5412 -3.2973 -3.2892 -3.2757 -3.2708
-3.1886 -3.1835 -2.7710 -2.7670 -2.7058 -2.6991 -2.5267 -2.5256
-1.1253 -1.1237 1.1397 1.2321 1.4259 1.4472 2.2521 2.2696
3.6865 3.7452
k = 0.2308-0.0007-0.0004 ( 12560 PWs) bands (ev):
-82.9552 -82.9552 -52.9361 -52.9360 -42.2763 -42.2761 -41.9308 -41.9308
-16.6411 -16.6275 -16.0813 -16.0776 -15.7970 -15.7465 -15.5480 -15.5029
-15.4034 -15.3578 -7.1053 -7.0177 -6.8057 -6.7893 -6.6764 -6.6589
-6.4982 -6.4859 -5.9724 -5.9648 -5.7064 -5.6461 -4.7746 -4.7439
-4.5578 -4.5501 -3.5189 -3.5169 -3.2904 -3.2831 -3.2663 -3.2585
-3.1906 -3.1848 -2.7731 -2.7695 -2.7056 -2.6991 -2.5293 -2.5283
-1.1277 -1.1261 1.0905 1.1836 1.3776 1.3972 2.2456 2.2620
3.6236 3.6852
k = 0.2179-0.0006-0.0003 ( 12572 PWs) bands (ev):
-82.9552 -82.9552 -52.9361 -52.9360 -42.2759 -42.2758 -41.9309 -41.9309
-16.6508 -16.6374 -16.0836 -16.0798 -15.8040 -15.7521 -15.5580 -15.5109
-15.4215 -15.3754 -7.0800 -7.0039 -6.7872 -6.7770 -6.6463 -6.6324
-6.4745 -6.4613 -5.9738 -5.9647 -5.5924 -5.5355 -4.7824 -4.7477
-4.5671 -4.5592 -3.4954 -3.4935 -3.2906 -3.2819 -3.2519 -3.2408
-3.1925 -3.1854 -2.7757 -2.7726 -2.7057 -2.6993 -2.5319 -2.5310
-1.1301 -1.1285 1.0434 1.1367 1.3310 1.3490 2.2396 2.2548
3.5594 3.6240
k = 0.2051-0.0006-0.0003 ( 12573 PWs) bands (ev):
-82.9553 -82.9553 -52.9360 -52.9359 -42.2756 -42.2754 -41.9309 -41.9309
-16.6605 -16.6474 -16.0858 -16.0820 -15.8111 -15.7583 -15.5684 -15.5205
-15.4362 -15.3910 -7.0581 -6.9926 -6.7718 -6.7658 -6.6170 -6.6038
-6.4483 -6.4339 -5.9749 -5.9646 -5.4768 -5.4247 -4.7894 -4.7495
-4.5766 -4.5686 -3.4732 -3.4713 -3.2921 -3.2820 -3.2374 -3.2234
-3.1939 -3.1846 -2.7788 -2.7761 -2.7060 -2.6998 -2.5345 -2.5337
-1.1324 -1.1309 0.9988 1.0918 1.2865 1.3028 2.2340 2.2481
3.4940 3.5616
k = 0.1923-0.0006-0.0003 ( 12572 PWs) bands (ev):
-82.9553 -82.9553 -52.9360 -52.9359 -42.2752 -42.2751 -41.9310 -41.9310
-16.6701 -16.6574 -16.0880 -16.0841 -15.8182 -15.7650 -15.5790 -15.5314
-15.4477 -15.4047 -7.0393 -6.9834 -6.7592 -6.7557 -6.5887 -6.5726
-6.4201 -6.4044 -5.9756 -5.9643 -5.3620 -5.3162 -4.7948 -4.7481
-4.5861 -4.5782 -3.4527 -3.4505 -3.2937 -3.2821 -3.2256 -3.2095
-3.1924 -3.1812 -2.7823 -2.7800 -2.7063 -2.7004 -2.5370 -2.5363
-1.1347 -1.1332 0.9568 1.0489 1.2445 1.2591 2.2289 2.2419
3.4275 3.4980
k = 0.1795-0.0005-0.0003 ( 12565 PWs) bands (ev):
-82.9553 -82.9553 -52.9360 -52.9359 -42.2748 -42.2747 -41.9310 -41.9310
-16.6797 -16.6675 -16.0900 -16.0862 -15.8252 -15.7723 -15.5897 -15.5432
-15.4564 -15.4167 -7.0234 -6.9760 -6.7491 -6.7469 -6.5602 -6.5400
-6.3905 -6.3735 -5.9758 -5.9634 -5.2512 -5.2132 -4.7970 -4.7410
-4.5954 -4.5875 -3.4345 -3.4315 -3.2952 -3.2817 -3.2182 -3.2049
-3.1827 -3.1743 -2.7863 -2.7840 -2.7068 -2.7012 -2.5395 -2.5388
-1.1369 -1.1354 0.9178 1.0085 1.2052 1.2179 2.2241 2.2361
3.3600 3.4333
k = 0.1667-0.0005-0.0003 ( 12557 PWs) bands (ev):
-82.9552 -82.9552 -52.9359 -52.9358 -42.2745 -42.2744 -41.9311 -41.9310
-16.6890 -16.6774 -16.0920 -16.0883 -15.8321 -15.7801 -15.5999 -15.5552
-15.4631 -15.4271 -7.0101 -6.9701 -6.7413 -6.7393 -6.5309 -6.5068
-6.3603 -6.3420 -5.9751 -5.9618 -5.1505 -5.1200 -4.7925 -4.7249
-4.6034 -4.5960 -3.4189 -3.4146 -3.2965 -3.2808 -3.2148 -3.2056
-3.1688 -3.1644 -2.7906 -2.7880 -2.7071 -2.7019 -2.5419 -2.5411
-1.1390 -1.1376 0.8819 0.9704 1.1687 1.1797 2.2197 2.2307
3.2919 3.3675
k = 0.1538-0.0005-0.0002 ( 12560 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9358 -42.2742 -42.2741 -41.9311 -41.9311
-16.6981 -16.6871 -16.0939 -16.0902 -15.8387 -15.7883 -15.6095 -15.5671
-15.4683 -15.4361 -6.9991 -6.9653 -6.7351 -6.7330 -6.5010 -6.4737
-6.3301 -6.3109 -5.9735 -5.9594 -5.0699 -5.0421 -4.7750 -4.6975
-4.6070 -4.6018 -3.4061 -3.4002 -3.2974 -3.2793 -3.2137 -3.2073
-3.1553 -3.1532 -2.7951 -2.7918 -2.7074 -2.7026 -2.5442 -2.5434
-1.1410 -1.1397 0.8491 0.9349 1.1353 1.1446 2.2157 2.2256
3.2234 3.3010
k = 0.1410-0.0004-0.0002 ( 12563 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9358 -42.2739 -42.2738 -41.9311 -41.9311
-16.7068 -16.6965 -16.0957 -16.0921 -15.8450 -15.7969 -15.6182 -15.5784
-15.4723 -15.4439 -6.9900 -6.9615 -6.7302 -6.7280 -6.4706 -6.4413
-6.3006 -6.2807 -5.9708 -5.9561 -5.0166 -4.9881 -4.7387 -4.6696
-4.6028 -4.5890 -3.3962 -3.3886 -3.2978 -3.2775 -3.2137 -3.2091
-3.1431 -3.1419 -2.7996 -2.7955 -2.7075 -2.7032 -2.5464 -2.5454
-1.1429 -1.1416 0.8197 0.9021 1.1049 1.1128 2.2120 2.2210
3.1551 3.2338
k = 0.1282-0.0004-0.0002 ( 12570 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9358 -42.2736 -42.2736 -41.9312 -41.9312
-16.7150 -16.7056 -16.0973 -16.0939 -15.8509 -15.8057 -15.6258 -15.5890
-15.4755 -15.4507 -6.9825 -6.9585 -6.7262 -6.7241 -6.4402 -6.4101
-6.2723 -6.2521 -5.9668 -5.9517 -4.9868 -4.9613 -4.6988 -4.6628
-4.5791 -4.5347 -3.3891 -3.3801 -3.2977 -3.2755 -3.2142 -3.2108
-3.1325 -3.1313 -2.8039 -2.7989 -2.7075 -2.7036 -2.5484 -2.5474
-1.1446 -1.1435 0.7937 0.8719 1.0775 1.0845 2.2086 2.2167
3.0877 3.1666
k = 0.1154-0.0003-0.0002 ( 12582 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9358 -42.2734 -42.2733 -41.9312 -41.9312
-16.7227 -16.7141 -16.0988 -16.0956 -15.8563 -15.8146 -15.6324 -15.5987
-15.4781 -15.4566 -6.9763 -6.9562 -6.7230 -6.7210 -6.4105 -6.3805
-6.2459 -6.2258 -5.9614 -5.9461 -4.9727 -4.9523 -4.6834 -4.6678
-4.5164 -4.4581 -3.3847 -3.3746 -3.2972 -3.2738 -3.2149 -3.2123
-3.1234 -3.1218 -2.8078 -2.8019 -2.7072 -2.7038 -2.5503 -2.5491
-1.1462 -1.1452 0.7710 0.8442 1.0532 1.0597 2.2056 2.2128
3.0220 3.1000
k = 0.1026-0.0003-0.0002 ( 12586 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9358 -42.2732 -42.2731 -41.9313 -41.9312
-16.7298 -16.7221 -16.1001 -16.0971 -15.8611 -15.8233 -15.6379 -15.6076
-15.4802 -15.4617 -6.9712 -6.9544 -6.7204 -6.7186 -6.3820 -6.3530
-6.2217 -6.2022 -5.9546 -5.9396 -4.9678 -4.9522 -4.6848 -4.6761
-4.4326 -4.3750 -3.3826 -3.3720 -3.2965 -3.2728 -3.2155 -3.2134
-3.1155 -3.1138 -2.8112 -2.8047 -2.7067 -2.7037 -2.5519 -2.5507
-1.1477 -1.1468 0.7517 0.8192 1.0318 1.0383 2.2028 2.2093
2.9592 3.0348
k = 0.0897-0.0003-0.0001 ( 12581 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9358 -42.2730 -42.2729 -41.9313 -41.9313
-16.7363 -16.7294 -16.1013 -16.0986 -15.8652 -15.8316 -15.6424 -15.6156
-15.4819 -15.4661 -6.9670 -6.9531 -6.7183 -6.7167 -6.3551 -6.3280
-6.2001 -6.1819 -5.9464 -5.9321 -4.9679 -4.9561 -4.6912 -4.6851
-4.3449 -4.2925 -3.3824 -3.3719 -3.2958 -3.2729 -3.2161 -3.2141
-3.1090 -3.1072 -2.8140 -2.8071 -2.7060 -2.7035 -2.5534 -2.5521
-1.1490 -1.1482 0.7357 0.7968 1.0134 1.0202 2.2005 2.2061
2.9004 2.9721
k = 0.0769-0.0002-0.0001 ( 12584 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2728 -42.2727 -41.9313 -41.9313
-16.7419 -16.7360 -16.1023 -16.0999 -15.8686 -15.8395 -15.6458 -15.6227
-15.4831 -15.4700 -6.9635 -6.9521 -6.7167 -6.7153 -6.3305 -6.3060
-6.1813 -6.1648 -5.9371 -5.9241 -4.9708 -4.9617 -4.6989 -4.6941
-4.2605 -4.2144 -3.3839 -3.3740 -3.2952 -3.2740 -3.2165 -3.2147
-3.1037 -3.1020 -2.8163 -2.8093 -2.7052 -2.7031 -2.5546 -2.5534
-1.1502 -1.1494 0.7229 0.7768 0.9980 1.0050 2.1985 2.2033
2.8468 2.9129
k = 0.0641-0.0002-0.0001 ( 12584 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2726 -42.2725 -41.9313 -41.9313
-16.7467 -16.7418 -16.1031 -16.1011 -15.8712 -15.8467 -15.6484 -15.6290
-15.4840 -15.4733 -6.9606 -6.9515 -6.7154 -6.7142 -6.3086 -6.2873
-6.1652 -6.1509 -5.9274 -5.9161 -4.9748 -4.9678 -4.7065 -4.7026
-4.1829 -4.1437 -3.3867 -3.3778 -3.2947 -3.2760 -3.2167 -3.2151
-3.0995 -3.0980 -2.8179 -2.8112 -2.7044 -2.7026 -2.5556 -2.5544
-1.1511 -1.1505 0.7132 0.7592 0.9857 0.9926 2.1968 2.2009
2.7999 2.8585
k = 0.0513-0.0002-0.0001 ( 12581 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2725 -42.2724 -41.9313 -41.9313
-16.7507 -16.7467 -16.1038 -16.1021 -15.8729 -15.8533 -15.6500 -15.6344
-15.4845 -15.4761 -6.9583 -6.9512 -6.7144 -6.7135 -6.2898 -6.2722
-6.1519 -6.1402 -5.9179 -5.9085 -4.9790 -4.9737 -4.7134 -4.7102
-4.1145 -4.0825 -3.3903 -3.3828 -3.2943 -3.2787 -3.2169 -3.2154
-3.0962 -3.0950 -2.8189 -2.8129 -2.7035 -2.7021 -2.5564 -2.5554
-1.1519 -1.1514 0.7064 0.7440 0.9761 0.9825 2.1955 2.1988
2.7609 2.8103
k = 0.0385-0.0001-0.0001 ( 12581 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2724 -42.2723 -41.9314 -41.9314
-16.7537 -16.7507 -16.1042 -16.1029 -15.8738 -15.8590 -15.6507 -15.6391
-15.4847 -15.4785 -6.9564 -6.9512 -6.7136 -6.7129 -6.2743 -6.2609
-6.1413 -6.1324 -5.9093 -5.9021 -4.9828 -4.9789 -4.7190 -4.7166
-4.0574 -4.0330 -3.3942 -3.3884 -3.2938 -3.2817 -3.2169 -3.2157
-3.0939 -3.0929 -2.8194 -2.8145 -2.7027 -2.7017 -2.5570 -2.5561
-1.1525 -1.1521 0.7025 0.7311 0.9693 0.9747 2.1945 2.1971
2.7309 2.7696
k = 0.0256-0.0001-0.0000 ( 12590 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2723 -42.2723 -41.9314 -41.9314
-16.7557 -16.7537 -16.1045 -16.1036 -15.8737 -15.8638 -15.6507 -15.6429
-15.4845 -15.4804 -6.9548 -6.9514 -6.7131 -6.7126 -6.2625 -6.2535
-6.1333 -6.1274 -5.9023 -5.8974 -4.9856 -4.9830 -4.7231 -4.7214
-4.0135 -3.9970 -3.3976 -3.3937 -3.2929 -3.2847 -3.2169 -3.2160
-3.0922 -3.0915 -2.8194 -2.8159 -2.7021 -2.7014 -2.5573 -2.5567
-1.1529 -1.1527 0.7012 0.7205 0.9649 0.9689 2.1940 2.1957
2.7108 2.7374
k = 0.0128-0.0000-0.0000 ( 12594 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2723 -42.2722 -41.9314 -41.9314
-16.7567 -16.7557 -16.1045 -16.1041 -15.8727 -15.8677 -15.6499 -15.6460
-15.4840 -15.4820 -6.9535 -6.9519 -6.7127 -6.7125 -6.2545 -6.2499
-6.1279 -6.1250 -5.8973 -5.8949 -4.9871 -4.9858 -4.7254 -4.7246
-3.9846 -3.9763 -3.3998 -3.3978 -3.2916 -3.2875 -3.2168 -3.2163
-3.0912 -3.0909 -2.8190 -2.8172 -2.7016 -2.7013 -2.5574 -2.5571
-1.1532 -1.1530 0.7024 0.7122 0.9629 0.9650 2.1938 2.1947
2.7014 2.7149
k = 0.0000 0.0000 0.0000 ( 12595 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7567 -16.7567 -16.1044 -16.1044 -15.8707 -15.8707 -15.6483 -15.6483
-15.4832 -15.4832 -6.9526 -6.9526 -6.7125 -6.7125 -6.2503 -6.2503
-6.1252 -6.1252 -5.8949 -5.8949 -4.9872 -4.9872 -4.7260 -4.7260
-3.9720 -3.9720 -3.3999 -3.3999 -3.2898 -3.2898 -3.2166 -3.2166
-3.0908 -3.0908 -2.8183 -2.8183 -2.7014 -2.7014 -2.5574 -2.5574
-1.1532 -1.1532 0.7061 0.7061 0.9629 0.9629 2.1940 2.1940
2.7027 2.7027
k = 0.0000 0.0000 0.0000 ( 12595 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7567 -16.7567 -16.1044 -16.1044 -15.8707 -15.8707 -15.6483 -15.6483
-15.4832 -15.4832 -6.9526 -6.9526 -6.7125 -6.7125 -6.2503 -6.2503
-6.1252 -6.1252 -5.8949 -5.8949 -4.9872 -4.9872 -4.7260 -4.7260
-3.9720 -3.9720 -3.3999 -3.3999 -3.2898 -3.2898 -3.2166 -3.2166
-3.0908 -3.0908 -2.8183 -2.8183 -2.7014 -2.7014 -2.5574 -2.5574
-1.1532 -1.1532 0.7061 0.7061 0.9629 0.9629 2.1940 2.1940
2.7027 2.7027
k = 0.0000 0.0129-0.0000 ( 12586 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7567 -16.7566 -16.1046 -16.1042 -15.8713 -15.8702 -15.6488 -15.6479
-15.4832 -15.4831 -6.9523 -6.9519 -6.7125 -6.7122 -6.2504 -6.2500
-6.1253 -6.1250 -5.8951 -5.8946 -4.9881 -4.9871 -4.7265 -4.7263
-3.9722 -3.9717 -3.4021 -3.3978 -3.2923 -3.2879 -3.2181 -3.2156
-3.0909 -3.0906 -2.8184 -2.8182 -2.7015 -2.7012 -2.5574 -2.5570
-1.1538 -1.1524 0.7057 0.7061 0.9614 0.9640 2.1938 2.1960
2.7028 2.7040
k = 0.0000 0.0258-0.0001 ( 12592 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7566 -16.7564 -16.1047 -16.1039 -15.8719 -15.8699 -15.6494 -15.6476
-15.4833 -15.4831 -6.9509 -6.9503 -6.7121 -6.7116 -6.2505 -6.2497
-6.1255 -6.1249 -5.8953 -5.8943 -4.9898 -4.9878 -4.7278 -4.7275
-3.9723 -3.9714 -3.4043 -3.3958 -3.2953 -3.2865 -3.2203 -3.2154
-3.0910 -3.0904 -2.8186 -2.8182 -2.7016 -2.7010 -2.5572 -2.5562
-1.1540 -1.1513 0.7049 0.7057 0.9596 0.9647 2.1954 2.1995
2.7042 2.7065
k = 0.0000 0.0387-0.0001 ( 12592 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7565 -16.7562 -16.1048 -16.1036 -15.8727 -15.8696 -15.6500 -15.6474
-15.4833 -15.4831 -6.9487 -6.9477 -6.7114 -6.7106 -6.2505 -6.2493
-6.1257 -6.1247 -5.8955 -5.8940 -4.9923 -4.9894 -4.7299 -4.7295
-3.9724 -3.9710 -3.4065 -3.3940 -3.2989 -3.2856 -3.2229 -3.2157
-3.0911 -3.0901 -2.8189 -2.8182 -2.7017 -2.7007 -2.5566 -2.5552
-1.1540 -1.1500 0.7036 0.7049 0.9574 0.9648 2.1986 2.2046
2.7069 2.7103
k = 0.0000 0.0516-0.0001 ( 12594 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7562 -16.7558 -16.1048 -16.1032 -15.8735 -15.8695 -15.6507 -15.6473
-15.4834 -15.4830 -6.9456 -6.9443 -6.7104 -6.7093 -6.2504 -6.2488
-6.1259 -6.1246 -5.8957 -5.8937 -4.9956 -4.9918 -4.7327 -4.7321
-3.9723 -3.9706 -3.4088 -3.3923 -3.3029 -3.2853 -3.2257 -3.2165
-3.0911 -3.0899 -2.8192 -2.8184 -2.7017 -2.7005 -2.5557 -2.5539
-1.1538 -1.1486 0.7021 0.7038 0.9551 0.9645 2.2033 2.2109
2.7109 2.7152
k = 0.0000 0.0645-0.0001 ( 12584 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7559 -16.7554 -16.1048 -16.1029 -15.8743 -15.8696 -15.6514 -15.6474
-15.4834 -15.4830 -6.9417 -6.9402 -6.7090 -6.7077 -6.2502 -6.2483
-6.1260 -6.1245 -5.8958 -5.8934 -4.9997 -4.9950 -4.7362 -4.7354
-3.9722 -3.9701 -3.4110 -3.3909 -3.3075 -3.2857 -3.2287 -3.2176
-3.0910 -3.0897 -2.8196 -2.8186 -2.7017 -2.7002 -2.5545 -2.5525
-1.1533 -1.1471 0.7002 0.7023 0.9526 0.9637 2.2094 2.2184
2.7160 2.7213
k = 0.0000 0.0774-0.0002 ( 12580 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7554 -16.7549 -16.1047 -16.1025 -15.8752 -15.8698 -15.6521 -15.6475
-15.4834 -15.4830 -6.9372 -6.9355 -6.7072 -6.7057 -6.2499 -6.2477
-6.1262 -6.1244 -5.8958 -5.8930 -5.0046 -4.9991 -4.7401 -4.7391
-3.9721 -3.9696 -3.4132 -3.3898 -3.3125 -3.2867 -3.2314 -3.2188
-3.0910 -3.0895 -2.8200 -2.8189 -2.7016 -2.7000 -2.5531 -2.5508
-1.1525 -1.1455 0.6980 0.7004 0.9501 0.9625 2.2165 2.2265
2.7222 2.7282
k = 0.0000 0.0903-0.0002 ( 12571 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7550 -16.7544 -16.1046 -16.1022 -15.8760 -15.8701 -15.6528 -15.6478
-15.4835 -15.4830 -6.9322 -6.9303 -6.7052 -6.7035 -6.2495 -6.2470
-6.1263 -6.1243 -5.8957 -5.8927 -5.0102 -5.0041 -4.7442 -4.7431
-3.9718 -3.9691 -3.4153 -3.3891 -3.3176 -3.2886 -3.2337 -3.2202
-3.0909 -3.0893 -2.8204 -2.8192 -2.7015 -2.6997 -2.5516 -2.5491
-1.1516 -1.1440 0.6956 0.6984 0.9477 0.9609 2.2244 2.2352
2.7294 2.7360
k = 0.0000 0.1032-0.0002 ( 12568 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7545 -16.7539 -16.1044 -16.1018 -15.8768 -15.8706 -15.6535 -15.6481
-15.4835 -15.4830 -6.9269 -6.9248 -6.7028 -6.7010 -6.2490 -6.2463
-6.1264 -6.1242 -5.8956 -5.8923 -5.0164 -5.0099 -4.7486 -4.7472
-3.9715 -3.9687 -3.4174 -3.3889 -3.3227 -3.2911 -3.2355 -3.2214
-3.0907 -3.0891 -2.8208 -2.8196 -2.7013 -2.6995 -2.5500 -2.5474
-1.1505 -1.1425 0.6931 0.6961 0.9453 0.9590 2.2329 2.2440
2.7373 2.7444
k = 0.0000 0.1161-0.0002 ( 12564 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7539 -16.7533 -16.1041 -16.1015 -15.8776 -15.8712 -15.6541 -15.6486
-15.4835 -15.4830 -6.9214 -6.9193 -6.7002 -6.6982 -6.2484 -6.2456
-6.1264 -6.1241 -5.8954 -5.8919 -5.0233 -5.0163 -4.7529 -4.7514
-3.9711 -3.9682 -3.4194 -3.3895 -3.3275 -3.2943 -3.2367 -3.2226
-3.0906 -3.0890 -2.8213 -2.8201 -2.7011 -2.6993 -2.5483 -2.5457
-1.1493 -1.1411 0.6905 0.6937 0.9432 0.9569 2.2416 2.2527
2.7458 2.7532
k = 0.0000 0.1290-0.0003 ( 12562 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7534 -16.7528 -16.1038 -16.1012 -15.8783 -15.8718 -15.6546 -15.6491
-15.4835 -15.4830 -6.9159 -6.9137 -6.6973 -6.6953 -6.2477 -6.2449
-6.1264 -6.1241 -5.8951 -5.8915 -5.0305 -5.0234 -4.7571 -4.7554
-3.9707 -3.9677 -3.4212 -3.3909 -3.3315 -3.2980 -3.2373 -3.2237
-3.0904 -3.0889 -2.8217 -2.8206 -2.7009 -2.6991 -2.5466 -2.5440
-1.1481 -1.1399 0.6879 0.6912 0.9412 0.9546 2.2503 2.2611
2.7547 2.7621
k = 0.0000 0.1419-0.0003 ( 12554 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7528 -16.7522 -16.1035 -16.1009 -15.8789 -15.8726 -15.6550 -15.6497
-15.4835 -15.4830 -6.9105 -6.9084 -6.6943 -6.6923 -6.2470 -6.2442
-6.1263 -6.1240 -5.8947 -5.8912 -5.0379 -5.0309 -4.7610 -4.7593
-3.9702 -3.9674 -3.4228 -3.3931 -3.3347 -3.3020 -3.2374 -3.2247
-3.0903 -3.0888 -2.8221 -2.8211 -2.7006 -2.6989 -2.5450 -2.5425
-1.1468 -1.1389 0.6854 0.6886 0.9396 0.9523 2.2587 2.2689
2.7636 2.7709
k = 0.0000 0.1548-0.0003 ( 12545 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7523 -16.7517 -16.1031 -16.1007 -15.8794 -15.8734 -15.6554 -15.6503
-15.4835 -15.4831 -6.9054 -6.9034 -6.6912 -6.6893 -6.2462 -6.2435
-6.1262 -6.1240 -5.8943 -5.8908 -5.0454 -5.0386 -4.7645 -4.7628
-3.9698 -3.9670 -3.4241 -3.3962 -3.3369 -3.3061 -3.2372 -3.2255
-3.0901 -3.0887 -2.8225 -2.8215 -2.7004 -2.6988 -2.5434 -2.5411
-1.1455 -1.1381 0.6830 0.6862 0.9382 0.9499 2.2666 2.2761
2.7724 2.7793
k = 0.0000 0.1677-0.0004 ( 12550 PWs) bands (ev):
-82.9553 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7517 -16.7512 -16.1028 -16.1005 -15.8798 -15.8743 -15.6556 -15.6510
-15.4835 -15.4831 -6.9008 -6.8989 -6.6881 -6.6864 -6.2454 -6.2429
-6.1261 -6.1239 -5.8937 -5.8905 -5.0525 -5.0462 -4.7676 -4.7660
-3.9693 -3.9667 -3.4252 -3.3998 -3.3380 -3.3103 -3.2367 -3.2263
-3.0899 -3.0887 -2.8229 -2.8220 -2.7001 -2.6987 -2.5419 -2.5398
-1.1442 -1.1375 0.6808 0.6838 0.9371 0.9476 2.2738 2.2823
2.7808 2.7871
k = 0.0000 0.1806-0.0004 ( 12547 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7513 -16.7508 -16.1024 -16.1004 -15.8800 -15.8752 -15.6557 -15.6517
-15.4835 -15.4831 -6.8966 -6.8950 -6.6852 -6.6837 -6.2446 -6.2424
-6.1259 -6.1239 -5.8931 -5.8903 -5.0591 -5.0535 -4.7701 -4.7687
-3.9688 -3.9665 -3.4258 -3.4039 -3.3382 -3.3143 -3.2359 -3.2271
-3.0898 -3.0887 -2.8232 -2.8224 -2.6999 -2.6986 -2.5406 -2.5388
-1.1430 -1.1371 0.6790 0.6816 0.9363 0.9454 2.2803 2.2876
2.7885 2.7941
k = 0.0000 0.1935-0.0004 ( 12546 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7508 -16.7505 -16.1020 -16.1004 -15.8801 -15.8761 -15.6557 -15.6524
-15.4834 -15.4831 -6.8931 -6.8918 -6.6826 -6.6813 -6.2438 -6.2419
-6.1256 -6.1240 -5.8925 -5.8901 -5.0648 -5.0601 -4.7722 -4.7710
-3.9683 -3.9664 -3.4260 -3.4080 -3.3378 -3.3181 -3.2350 -3.2278
-3.0896 -3.0887 -2.8235 -2.8228 -2.6996 -2.6986 -2.5395 -2.5380
-1.1419 -1.1369 0.6774 0.6797 0.9358 0.9433 2.2859 2.2919
2.7952 2.7999
k = 0.0000 0.2064-0.0004 ( 12544 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7505 -16.7502 -16.1017 -16.1004 -15.8800 -15.8769 -15.6556 -15.6530
-15.4834 -15.4832 -6.8903 -6.8892 -6.6803 -6.6793 -6.2431 -6.2417
-6.1253 -6.1241 -5.8919 -5.8900 -5.0694 -5.0657 -4.7738 -4.7729
-3.9679 -3.9664 -3.4257 -3.4120 -3.3367 -3.3217 -3.2341 -3.2286
-3.0894 -3.0887 -2.8236 -2.8232 -2.6994 -2.6986 -2.5385 -2.5374
-1.1408 -1.1370 0.6763 0.6780 0.9357 0.9414 2.2905 2.2951
2.8009 2.8045
k = 0.0000 0.2193-0.0005 ( 12541 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7502 -16.7500 -16.1014 -16.1005 -15.8798 -15.8777 -15.6554 -15.6536
-15.4834 -15.4832 -6.8882 -6.8875 -6.6786 -6.6779 -6.2425 -6.2415
-6.1251 -6.1242 -5.8914 -5.8901 -5.0727 -5.0701 -4.7749 -4.7742
-3.9674 -3.9665 -3.4248 -3.4156 -3.3351 -3.3250 -3.2331 -3.2294
-3.0893 -3.0888 -2.8238 -2.8234 -2.6992 -2.6986 -2.5378 -2.5370
-1.1398 -1.1372 0.6755 0.6767 0.9359 0.9398 2.2940 2.2971
2.8052 2.8077
k = 0.0000 0.2322-0.0005 ( 12538 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7500 -16.7499 -16.1011 -16.1006 -15.8795 -15.8784 -15.6551 -15.6542
-15.4833 -15.4833 -6.8868 -6.8865 -6.6774 -6.6771 -6.2421 -6.2415
-6.1248 -6.1244 -5.8909 -5.8902 -5.0744 -5.0731 -4.7755 -4.7751
-3.9671 -3.9666 -3.4234 -3.4188 -3.3331 -3.3281 -3.2321 -3.2302
-3.0891 -3.0889 -2.8238 -2.8236 -2.6990 -2.6987 -2.5372 -2.5368
-1.1389 -1.1376 0.6752 0.6758 0.9364 0.9384 2.2965 2.2981
2.8082 2.8094
k = 0.0000 0.2450-0.0005 ( 12530 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7499 -16.7499 -16.1008 -16.1008 -15.8790 -15.8790 -15.6547 -15.6547
-15.4833 -15.4833 -6.8863 -6.8863 -6.6769 -6.6769 -6.2417 -6.2417
-6.1246 -6.1246 -5.8905 -5.8905 -5.0746 -5.0746 -4.7755 -4.7755
-3.9668 -3.9668 -3.4214 -3.4214 -3.3307 -3.3307 -3.2311 -3.2311
-3.0890 -3.0890 -2.8238 -2.8238 -2.6988 -2.6988 -2.5369 -2.5369
-1.1382 -1.1382 0.6753 0.6753 0.9372 0.9372 2.2979 2.2979
2.8096 2.8096
k = 0.5000 0.2436-0.0013 ( 12596 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2814 -42.2814 -41.9302 -41.9302
-16.5115 -16.5115 -16.0447 -16.0447 -15.7227 -15.7227 -15.4596 -15.4596
-14.9518 -14.9518 -7.8092 -7.8092 -7.1667 -7.1667 -7.0669 -7.0669
-6.5750 -6.5750 -6.5472 -6.5472 -5.9189 -5.9189 -4.7670 -4.7670
-4.5025 -4.5025 -3.8434 -3.8434 -3.5321 -3.5321 -3.3121 -3.3121
-3.1731 -3.1731 -2.8430 -2.8430 -2.7376 -2.7376 -2.4722 -2.4722
-1.0780 -1.0780 1.9249 1.9249 2.1298 2.1298 2.5536 2.5536
4.7431 4.7431
k = 0.4886 0.2380-0.0013 ( 12595 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2813 -42.2813 -41.9302 -41.9302
-16.5123 -16.5113 -16.0448 -16.0446 -15.7239 -15.7218 -15.4603 -15.4591
-14.9536 -14.9525 -7.8100 -7.8027 -7.1702 -7.1608 -7.0666 -7.0653
-6.5751 -6.5745 -6.5472 -6.5468 -5.9192 -5.9188 -4.7674 -4.7666
-4.5029 -4.5024 -3.8427 -3.8425 -3.5318 -3.5312 -3.3124 -3.3119
-3.1735 -3.1728 -2.8430 -2.8424 -2.7377 -2.7372 -2.4724 -2.4723
-1.0782 -1.0780 1.9199 1.9257 2.1265 2.1300 2.5504 2.5545
4.7402 4.7425
k = 0.4773 0.2325-0.0012 ( 12601 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9365 -42.2813 -42.2813 -41.9302 -41.9302
-16.5134 -16.5115 -16.0452 -16.0447 -15.7252 -15.7211 -15.4613 -15.4587
-14.9580 -14.9557 -7.8051 -7.7905 -7.1716 -7.1526 -7.0646 -7.0618
-6.5748 -6.5735 -6.5468 -6.5460 -5.9197 -5.9190 -4.7678 -4.7663
-4.5035 -4.5026 -3.8406 -3.8402 -3.5303 -3.5291 -3.3128 -3.3116
-3.1740 -3.1727 -2.8425 -2.8412 -2.7375 -2.7366 -2.4728 -2.4725
-1.0786 -1.0782 1.9109 1.9224 2.1200 2.1269 2.5449 2.5531
4.7338 4.7383
k = 0.4659 0.2270-0.0012 ( 12596 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2813 -42.2812 -41.9302 -41.9302
-16.5151 -16.5121 -16.0457 -16.0450 -15.7267 -15.7206 -15.4624 -15.4586
-14.9649 -14.9615 -7.7948 -7.7726 -7.1707 -7.1420 -7.0607 -7.0566
-6.5741 -6.5722 -6.5459 -6.5446 -5.9205 -5.9194 -4.7682 -4.7660
-4.5044 -4.5030 -3.8370 -3.8364 -3.5275 -3.5258 -3.3131 -3.3114
-3.1746 -3.1726 -2.8414 -2.8395 -2.7370 -2.7356 -2.4734 -2.4729
-1.0792 -1.0785 1.8978 1.9151 2.1102 2.1207 2.5373 2.5495
4.7238 4.7305
k = 0.4545 0.2214-0.0012 ( 12596 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2812 -42.2811 -41.9302 -41.9302
-16.5172 -16.5133 -16.0463 -16.0454 -15.7284 -15.7202 -15.4638 -15.4587
-14.9743 -14.9696 -7.7793 -7.7492 -7.1676 -7.1291 -7.0550 -7.0494
-6.5732 -6.5707 -6.5442 -6.5424 -5.9215 -5.9200 -4.7688 -4.7657
-4.5056 -4.5036 -3.8319 -3.8311 -3.5236 -3.5214 -3.3135 -3.3112
-3.1753 -3.1727 -2.8398 -2.8373 -2.7362 -2.7344 -2.4742 -2.4735
-1.0799 -1.0790 1.8806 1.9038 2.0973 2.1113 2.5277 2.5438
4.7102 4.7190
k = 0.4432 0.2159-0.0011 ( 12593 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2811 -42.2810 -41.9302 -41.9302
-16.5197 -16.5148 -16.0471 -16.0459 -15.7303 -15.7200 -15.4654 -15.4590
-14.9860 -14.9801 -7.7589 -7.7205 -7.1624 -7.1138 -7.0476 -7.0405
-6.5721 -6.5691 -6.5415 -6.5392 -5.9227 -5.9209 -4.7693 -4.7655
-4.5070 -4.5046 -3.8254 -3.8244 -3.5186 -3.5157 -3.3139 -3.3111
-3.1761 -3.1728 -2.8377 -2.8346 -2.7351 -2.7329 -2.4752 -2.4743
-1.0809 -1.0797 1.8596 1.8885 2.0811 2.0985 2.5165 2.5363
4.6929 4.7040
k = 0.4318 0.2104-0.0011 ( 12596 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2810 -42.2809 -41.9302 -41.9302
-16.5227 -16.5169 -16.0480 -16.0466 -15.7325 -15.7201 -15.4672 -15.4594
-15.0000 -14.9927 -7.7339 -7.6868 -7.1551 -7.0962 -7.0385 -7.0298
-6.5710 -6.5676 -6.5373 -6.5344 -5.9242 -5.9219 -4.7699 -4.7653
-4.5086 -4.5058 -3.8175 -3.8162 -3.5124 -3.5089 -3.3143 -3.3110
-3.1770 -3.1731 -2.8352 -2.8315 -2.7338 -2.7312 -2.4763 -2.4754
-1.0819 -1.0806 1.8347 1.8695 2.0618 2.0825 2.5041 2.5271
4.6720 4.6852
k = 0.4205 0.2048-0.0011 ( 12602 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9364 -42.2808 -42.2808 -41.9303 -41.9303
-16.5261 -16.5194 -16.0491 -16.0474 -15.7348 -15.7203 -15.4692 -15.4601
-15.0161 -15.0074 -7.7048 -7.6485 -7.1458 -7.0764 -7.0277 -7.0173
-6.5700 -6.5663 -6.5313 -6.5277 -5.9259 -5.9232 -4.7706 -4.7652
-4.5106 -4.5072 -3.8082 -3.8067 -3.5050 -3.5011 -3.3148 -3.3108
-3.1781 -3.1735 -2.8322 -2.8280 -2.7323 -2.7293 -2.4777 -2.4766
-1.0832 -1.0816 1.8063 1.8468 2.0392 2.0630 2.4906 2.5167
4.6474 4.6626
k = 0.4091 0.1993-0.0011 ( 12595 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9364 -42.2807 -42.2806 -41.9303 -41.9303
-16.5299 -16.5224 -16.0503 -16.0484 -15.7373 -15.7207 -15.4714 -15.4609
-15.0341 -15.0239 -7.6721 -7.6060 -7.1345 -7.0545 -7.0153 -7.0032
-6.5693 -6.5653 -6.5231 -6.5186 -5.9277 -5.9246 -4.7713 -4.7652
-4.5127 -4.5089 -3.7976 -3.7959 -3.4966 -3.4921 -3.3152 -3.3107
-3.1792 -3.1740 -2.8289 -2.8242 -2.7306 -2.7271 -2.4792 -2.4779
-1.0846 -1.0828 1.7745 1.8206 2.0135 2.0401 2.4766 2.5052
4.6191 4.6362
k = 0.3977 0.1937-0.0010 ( 12599 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9364 -42.2805 -42.2804 -41.9303 -41.9303
-16.5342 -16.5258 -16.0516 -16.0495 -15.7401 -15.7212 -15.4739 -15.4619
-15.0538 -15.0420 -7.6364 -7.5600 -7.1213 -7.0309 -7.0013 -6.9873
-6.5687 -6.5645 -6.5121 -6.5065 -5.9298 -5.9262 -4.7722 -4.7652
-4.5151 -4.5109 -3.7857 -3.7837 -3.4872 -3.4821 -3.3156 -3.3106
-3.1804 -3.1746 -2.8253 -2.8201 -2.7287 -2.7249 -2.4809 -2.4795
-1.0862 -1.0841 1.7396 1.7912 1.9849 2.0138 2.4622 2.4930
4.5869 4.6061
k = 0.3864 0.1882-0.0010 ( 12604 PWs) bands (ev):
-82.9553 -82.9553 -52.9364 -52.9364 -42.2803 -42.2802 -41.9303 -41.9303
-16.5389 -16.5297 -16.0530 -16.0507 -15.7430 -15.7220 -15.4767 -15.4630
-15.0752 -15.0616 -7.5982 -7.5112 -7.1062 -7.0062 -6.9857 -6.9697
-6.5682 -6.5638 -6.4981 -6.4907 -5.9320 -5.9280 -4.7732 -4.7654
-4.5178 -4.5132 -3.7725 -3.7703 -3.4767 -3.4710 -3.3160 -3.3105
-3.1818 -3.1753 -2.8215 -2.8158 -2.7267 -2.7225 -2.4828 -2.4812
-1.0880 -1.0856 1.7019 1.7587 1.9533 1.9841 2.4478 2.4802
4.5510 4.5721
k = 0.3750 0.1827-0.0010 ( 12597 PWs) bands (ev):
-82.9553 -82.9553 -52.9364 -52.9364 -42.2801 -42.2800 -41.9304 -41.9304
-16.5440 -16.5341 -16.0546 -16.0521 -15.7462 -15.7229 -15.4796 -15.4644
-15.0979 -15.0825 -7.5582 -7.4603 -7.0892 -6.9812 -6.9682 -6.9506
-6.5677 -6.5631 -6.4804 -6.4705 -5.9343 -5.9298 -4.7742 -4.7656
-4.5207 -4.5158 -3.7581 -3.7557 -3.4653 -3.4591 -3.3164 -3.3104
-3.1832 -3.1761 -2.8175 -2.8115 -2.7246 -2.7200 -2.4848 -2.4831
-1.0898 -1.0872 1.6617 1.7234 1.9189 1.9513 2.4337 2.4672
4.5113 4.5343
k = 0.3636 0.1771-0.0009 ( 12597 PWs) bands (ev):
-82.9553 -82.9553 -52.9364 -52.9363 -42.2798 -42.2797 -41.9304 -41.9304
-16.5495 -16.5389 -16.0562 -16.0535 -15.7496 -15.7240 -15.4829 -15.4659
-15.1217 -15.1044 -7.5169 -7.4085 -7.0704 -6.9581 -6.9478 -6.9297
-6.5672 -6.5623 -6.4584 -6.4451 -5.9368 -5.9318 -4.7755 -4.7660
-4.5239 -4.5186 -3.7427 -3.7400 -3.4531 -3.4462 -3.3167 -3.3102
-3.1847 -3.1770 -2.8135 -2.8071 -2.7224 -2.7175 -2.4870 -2.4852
-1.0918 -1.0890 1.6193 1.6857 1.8821 1.9154 2.4199 2.4540
4.4679 4.4929
k = 0.3523 0.1716-0.0009 ( 12593 PWs) bands (ev):
-82.9553 -82.9553 -52.9364 -52.9363 -42.2796 -42.2795 -41.9304 -41.9304
-16.5554 -16.5441 -16.0580 -16.0551 -15.7531 -15.7252 -15.4864 -15.4676
-15.1465 -15.1270 -7.4750 -7.3566 -7.0498 -6.9377 -6.9244 -6.9073
-6.5665 -6.5613 -6.4313 -6.4134 -5.9394 -5.9338 -4.7769 -4.7666
-4.5274 -4.5217 -3.7262 -3.7232 -3.4400 -3.4325 -3.3169 -3.3100
-3.1863 -3.1781 -2.8095 -2.8028 -2.7202 -2.7151 -2.4893 -2.4874
-1.0940 -1.0909 1.5751 1.6459 1.8430 1.8768 2.4065 2.4409
4.4209 4.4479
k = 0.3409 0.1661-0.0009 ( 12599 PWs) bands (ev):
-82.9553 -82.9553 -52.9364 -52.9363 -42.2793 -42.2792 -41.9305 -41.9305
-16.5617 -16.5498 -16.0598 -16.0567 -15.7569 -15.7267 -15.4903 -15.4695
-15.1720 -15.1502 -7.4329 -7.3058 -7.0277 -6.9184 -6.9006 -6.8836
-6.5654 -6.5598 -6.3983 -6.3749 -5.9421 -5.9359 -4.7784 -4.7672
-4.5310 -4.5251 -3.7087 -3.7055 -3.4263 -3.4181 -3.3171 -3.3097
-3.1880 -3.1792 -2.8055 -2.7986 -2.7181 -2.7126 -2.4917 -2.4897
-1.0962 -1.0929 1.5294 1.6043 1.8020 1.8358 2.3936 2.4279
4.3705 4.3996
k = 0.3295 0.1605-0.0009 ( 12584 PWs) bands (ev):
-82.9552 -82.9552 -52.9363 -52.9363 -42.2790 -42.2789 -41.9305 -41.9305
-16.5683 -16.5559 -16.0617 -16.0584 -15.7609 -15.7283 -15.4944 -15.4715
-15.1979 -15.1737 -7.3912 -7.2571 -7.0040 -6.8993 -6.8772 -6.8593
-6.5639 -6.5579 -6.3585 -6.3288 -5.9448 -5.9379 -4.7802 -4.7681
-4.5350 -4.5287 -3.6904 -3.6869 -3.4119 -3.4030 -3.3171 -3.3093
-3.1897 -3.1803 -2.8017 -2.7947 -2.7160 -2.7103 -2.4943 -2.4922
-1.0986 -1.0950 1.4826 1.5612 1.7593 1.7928 2.3812 2.4150
4.3170 4.3481
k = 0.3182 0.1550-0.0008 ( 12584 PWs) bands (ev):
-82.9553 -82.9553 -52.9363 -52.9362 -42.2787 -42.2786 -41.9305 -41.9305
-16.5753 -16.5624 -16.0637 -16.0602 -15.7651 -15.7301 -15.4989 -15.4737
-15.2241 -15.1974 -7.3502 -7.2115 -6.9791 -6.8807 -6.8541 -6.8351
-6.5617 -6.5553 -6.3112 -6.2750 -5.9475 -5.9397 -4.7822 -4.7691
-4.5392 -4.5327 -3.6713 -3.6676 -3.3971 -3.3873 -3.3170 -3.3088
-3.1915 -3.1816 -2.7982 -2.7911 -2.7141 -2.7081 -2.4969 -2.4948
-1.1011 -1.0972 1.4350 1.5169 1.7153 1.7482 2.3693 2.4024
4.2605 4.2938
k = 0.3068 0.1495-0.0008 ( 12582 PWs) bands (ev):
-82.9553 -82.9553 -52.9363 -52.9362 -42.2784 -42.2783 -41.9306 -41.9305
-16.5826 -16.5693 -16.0658 -16.0621 -15.7695 -15.7322 -15.5038 -15.4762
-15.2502 -15.2208 -7.3103 -7.1697 -6.9532 -6.8630 -6.8313 -6.8110
-6.5587 -6.5517 -6.2561 -6.2136 -5.9502 -5.9413 -4.7845 -4.7702
-4.5437 -4.5369 -3.6516 -3.6476 -3.3820 -3.3712 -3.3166 -3.3082
-3.1933 -3.1829 -2.7949 -2.7878 -2.7123 -2.7061 -2.4997 -2.4975
-1.1036 -1.0994 1.3869 1.4719 1.6703 1.7024 2.3578 2.3901
4.2012 4.2369
k = 0.2955 0.1439-0.0008 ( 12583 PWs) bands (ev):
-82.9553 -82.9553 -52.9363 -52.9362 -42.2781 -42.2780 -41.9306 -41.9306
-16.5902 -16.5766 -16.0678 -16.0640 -15.7741 -15.7344 -15.5091 -15.4789
-15.2761 -15.2439 -7.2718 -7.1322 -6.9269 -6.8464 -6.8087 -6.7871
-6.5546 -6.5470 -6.1932 -6.1454 -5.9527 -5.9422 -4.7870 -4.7715
-4.5484 -4.5414 -3.6314 -3.6271 -3.3670 -3.3547 -3.3159 -3.3072
-3.1951 -3.1842 -2.7921 -2.7850 -2.7107 -2.7043 -2.5025 -2.5003
-1.1063 -1.1018 1.3388 1.4265 1.6248 1.6558 2.3467 2.3781
4.1396 4.1777
k = 0.2841 0.1384-0.0007 ( 12587 PWs) bands (ev):
-82.9553 -82.9553 -52.9362 -52.9362 -42.2778 -42.2777 -41.9306 -41.9306
-16.5981 -16.5842 -16.0700 -16.0660 -15.7790 -15.7368 -15.5149 -15.4819
-15.3014 -15.2663 -7.2349 -7.0990 -6.9007 -6.8310 -6.7859 -6.7632
-6.5491 -6.5408 -6.1229 -6.0723 -5.9549 -5.9411 -4.7897 -4.7729
-4.5534 -4.5463 -3.6108 -3.6061 -3.3526 -3.3382 -3.3145 -3.3056
-3.1969 -3.1856 -2.7897 -2.7828 -2.7093 -2.7027 -2.5054 -2.5031
-1.1090 -1.1042 1.2909 1.3809 1.5790 1.6087 2.3360 2.3663
4.0758 4.1164
k = 0.2727 0.1329-0.0007 ( 12596 PWs) bands (ev):
-82.9553 -82.9553 -52.9362 -52.9361 -42.2775 -42.2774 -41.9307 -41.9307
-16.6063 -16.5922 -16.0721 -16.0680 -15.7840 -15.7395 -15.5212 -15.4852
-15.3258 -15.2880 -7.1999 -7.0702 -6.8752 -6.8171 -6.7628 -6.7394
-6.5418 -6.5329 -6.0472 -6.0016 -5.9557 -5.9310 -4.7927 -4.7745
-4.5587 -4.5513 -3.5899 -3.5849 -3.3400 -3.3226 -3.3114 -3.3024
-3.1987 -3.1869 -2.7878 -2.7811 -2.7081 -2.7014 -2.5084 -2.5061
-1.1117 -1.1067 1.2435 1.3355 1.5332 1.5616 2.3257 2.3548
4.0102 4.0534
k = 0.2614 0.1273-0.0007 ( 12596 PWs) bands (ev):
-82.9553 -82.9553 -52.9362 -52.9361 -42.2772 -42.2771 -41.9307 -41.9307
-16.6146 -16.6005 -16.0743 -16.0701 -15.7891 -15.7425 -15.5280 -15.4890
-15.3492 -15.3086 -7.1670 -7.0456 -6.8509 -6.8043 -6.7390 -6.7158
-6.5324 -6.5228 -5.9817 -5.9672 -5.9388 -5.8803 -4.7959 -4.7760
-4.5643 -4.5567 -3.5690 -3.5636 -3.3309 -3.3136 -3.3021 -3.2953
-3.2003 -3.1882 -2.7864 -2.7800 -2.7072 -2.7004 -2.5114 -2.5091
-1.1145 -1.1092 1.1970 1.2905 1.4880 1.5149 2.3157 2.3437
3.9429 3.9889
k = 0.2500 0.1218-0.0006 ( 12588 PWs) bands (ev):
-82.9553 -82.9553 -52.9361 -52.9361 -42.2768 -42.2767 -41.9308 -41.9308
-16.6232 -16.6090 -16.0765 -16.0722 -15.7945 -15.7458 -15.5355 -15.4934
-15.3710 -15.3280 -7.1365 -7.0247 -6.8284 -6.7925 -6.7146 -6.6926
-6.5204 -6.5102 -5.9687 -5.9633 -5.8622 -5.7963 -4.7992 -4.7775
-4.5701 -4.5624 -3.5481 -3.5424 -3.3257 -3.3107 -3.2885 -3.2824
-3.2018 -3.1894 -2.7855 -2.7796 -2.7065 -2.6997 -2.5144 -2.5121
-1.1173 -1.1118 1.1516 1.2463 1.4434 1.4688 2.3061 2.3328
3.8744 3.9232
k = 0.2386 0.1162-0.0006 ( 12583 PWs) bands (ev):
-82.9553 -82.9553 -52.9361 -52.9360 -42.2765 -42.2764 -41.9308 -41.9308
-16.6319 -16.6178 -16.0786 -16.0743 -15.8000 -15.7494 -15.5435 -15.4986
-15.3911 -15.3461 -7.1085 -7.0073 -6.8080 -6.7815 -6.6894 -6.6699
-6.5057 -6.4948 -5.9689 -5.9625 -5.7697 -5.7039 -4.8027 -4.7787
-4.5762 -4.5682 -3.5275 -3.5215 -3.3228 -3.3090 -3.2748 -3.2666
-3.2030 -3.1903 -2.7852 -2.7798 -2.7061 -2.6992 -2.5175 -2.5152
-1.1201 -1.1143 1.1076 1.2031 1.3999 1.4236 2.2967 2.3222
3.8047 3.8565
k = 0.2273 0.1107-0.0006 ( 12585 PWs) bands (ev):
-82.9553 -82.9553 -52.9361 -52.9360 -42.2762 -42.2761 -41.9309 -41.9309
-16.6407 -16.6267 -16.0808 -16.0763 -15.8056 -15.7533 -15.5521 -15.5047
-15.4089 -15.3628 -7.0832 -6.9929 -6.7901 -6.7713 -6.6637 -6.6473
-6.4883 -6.4764 -5.9703 -5.9626 -5.6725 -5.6081 -4.8060 -4.7794
-4.5825 -4.5743 -3.5074 -3.5010 -3.3207 -3.3077 -3.2612 -3.2506
-3.2037 -3.1908 -2.7855 -2.7806 -2.7059 -2.6990 -2.5205 -2.5182
-1.1229 -1.1169 1.0651 1.1611 1.3577 1.3797 2.2877 2.3120
3.7341 3.7890
k = 0.2159 0.1052-0.0006 ( 12583 PWs) bands (ev):
-82.9553 -82.9553 -52.9361 -52.9360 -42.2759 -42.2757 -41.9309 -41.9309
-16.6495 -16.6358 -16.0829 -16.0784 -15.8113 -15.7577 -15.5612 -15.5120
-15.4243 -15.3780 -7.0608 -6.9813 -6.7746 -6.7619 -6.6381 -6.6240
-6.4681 -6.4553 -5.9718 -5.9630 -5.5728 -5.5108 -4.8091 -4.7791
-4.5891 -4.5806 -3.4880 -3.4813 -3.3190 -3.3065 -3.2487 -3.2352
-3.2036 -3.1905 -2.7863 -2.7821 -2.7059 -2.6991 -2.5236 -2.5213
-1.1256 -1.1195 1.0245 1.1205 1.3171 1.3373 2.2790 2.3021
3.6628 3.7208
k = 0.2045 0.0996-0.0005 ( 12587 PWs) bands (ev):
-82.9553 -82.9553 -52.9360 -52.9360 -42.2755 -42.2754 -41.9309 -41.9309
-16.6584 -16.6450 -16.0850 -16.0805 -15.8170 -15.7624 -15.5707 -15.5205
-15.4370 -15.3916 -7.0414 -6.9720 -6.7617 -6.7533 -6.6131 -6.5991
-6.4456 -6.4317 -5.9730 -5.9632 -5.4722 -5.4135 -4.8114 -4.7774
-4.5958 -4.5869 -3.4695 -3.4625 -3.3172 -3.3052 -3.2383 -3.2218
-3.2015 -3.1885 -2.7876 -2.7841 -2.7060 -2.6993 -2.5266 -2.5244
-1.1283 -1.1221 0.9859 1.0815 1.2782 1.2968 2.2706 2.2924
3.5911 3.6522
k = 0.1932 0.0941-0.0005 ( 12579 PWs) bands (ev):
-82.9553 -82.9553 -52.9360 -52.9359 -42.2752 -42.2751 -41.9310 -41.9310
-16.6672 -16.6542 -16.0870 -16.0825 -15.8228 -15.7677 -15.5803 -15.5301
-15.4472 -15.4038 -7.0248 -6.9647 -6.7512 -6.7456 -6.5888 -6.5722
-6.4213 -6.4063 -5.9738 -5.9631 -5.3724 -5.3182 -4.8124 -4.7730
-4.6026 -4.5931 -3.4522 -3.4450 -3.3153 -3.3037 -3.2312 -3.2134
-3.1949 -3.1839 -2.7893 -2.7866 -2.7063 -2.6997 -2.5296 -2.5274
-1.1310 -1.1246 0.9494 1.0441 1.2412 1.2582 2.2625 2.2832
3.5192 3.5832
k = 0.1818 0.0886-0.0005 ( 12569 PWs) bands (ev):
-82.9553 -82.9553 -52.9360 -52.9359 -42.2749 -42.2748 -41.9310 -41.9310
-16.6759 -16.6633 -16.0890 -16.0845 -15.8286 -15.7734 -15.5899 -15.5404
-15.4552 -15.4146 -7.0108 -6.9591 -6.7427 -6.7389 -6.5644 -6.5439
-6.3955 -6.3795 -5.9742 -5.9626 -5.2760 -5.2273 -4.8108 -4.7646
-4.6093 -4.5989 -3.4364 -3.4290 -3.3131 -3.3020 -3.2273 -3.2104
-3.1837 -3.1764 -2.7915 -2.7894 -2.7066 -2.7003 -2.5325 -2.5303
-1.1336 -1.1271 0.9153 1.0087 1.2064 1.2218 2.2548 2.2742
3.4473 3.5142
k = 0.1705 0.0830-0.0004 ( 12572 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9359 -42.2746 -42.2745 -41.9310 -41.9310
-16.6845 -16.6724 -16.0909 -16.0864 -15.8342 -15.7796 -15.5993 -15.5511
-15.4615 -15.4242 -6.9993 -6.9548 -6.7359 -6.7332 -6.5393 -6.5150
-6.3690 -6.3520 -5.9740 -5.9616 -5.1865 -5.1438 -4.8043 -4.7497
-4.6155 -4.6036 -3.4223 -3.4147 -3.3106 -3.3000 -3.2256 -3.2098
-3.1715 -3.1668 -2.7941 -2.7923 -2.7069 -2.7008 -2.5353 -2.5332
-1.1360 -1.1296 0.8836 0.9751 1.1737 1.1877 2.2475 2.2657
3.3758 3.4452
k = 0.1591 0.0775-0.0004 ( 12566 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9358 -42.2743 -42.2742 -41.9311 -41.9311
-16.6929 -16.6814 -16.0927 -16.0883 -15.8398 -15.7862 -15.6081 -15.5616
-15.4665 -15.4326 -6.9898 -6.9516 -6.7306 -6.7285 -6.5135 -6.4860
-6.3422 -6.3244 -5.9731 -5.9599 -5.1097 -5.0724 -4.7891 -4.7263
-4.6202 -4.6053 -3.4101 -3.4025 -3.3078 -3.2976 -3.2249 -3.2101
-3.1598 -3.1564 -2.7972 -2.7951 -2.7071 -2.7014 -2.5380 -2.5360
-1.1384 -1.1320 0.8544 0.9435 1.1433 1.1562 2.2405 2.2575
3.3048 3.3764
k = 0.1477 0.0720-0.0004 ( 12564 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9358 -42.2741 -42.2740 -41.9311 -41.9311
-16.7010 -16.6901 -16.0944 -16.0901 -15.8451 -15.7933 -15.6162 -15.5718
-15.4704 -15.4400 -6.9822 -6.9494 -6.7264 -6.7246 -6.4871 -6.4572
-6.3157 -6.2972 -5.9714 -5.9574 -5.0514 -5.0181 -4.7611 -4.6971
-4.6204 -4.5986 -3.4002 -3.3924 -3.3049 -3.2947 -3.2248 -3.2108
-3.1490 -3.1460 -2.8006 -2.7977 -2.7072 -2.7019 -2.5406 -2.5387
-1.1406 -1.1343 0.8278 0.9139 1.1152 1.1273 2.2339 2.2497
3.2349 3.3082
k = 0.1364 0.0664-0.0004 ( 12564 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9358 -42.2738 -42.2737 -41.9311 -41.9311
-16.7087 -16.6985 -16.0960 -16.0919 -15.8501 -15.8006 -15.6236 -15.5816
-15.4737 -15.4465 -6.9761 -6.9479 -6.7231 -6.7216 -6.4604 -6.4291
-6.2899 -6.2710 -5.9687 -5.9542 -5.0132 -4.9839 -4.7245 -4.6765
-4.6076 -4.5701 -3.3924 -3.3844 -3.3020 -3.2916 -3.2248 -3.2115
-3.1392 -3.1363 -2.8040 -2.8002 -2.7073 -2.7023 -2.5431 -2.5412
-1.1427 -1.1366 0.8038 0.8864 1.0895 1.1012 2.2278 2.2424
3.1664 3.2408
k = 0.1250 0.0609-0.0003 ( 12568 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9358 -42.2736 -42.2735 -41.9312 -41.9312
-16.7161 -16.7066 -16.0975 -16.0936 -15.8549 -15.8081 -15.6300 -15.5907
-15.4763 -15.4523 -6.9712 -6.9471 -6.7206 -6.7192 -6.4337 -6.4020
-6.2652 -6.2462 -5.9649 -5.9501 -4.9910 -4.9665 -4.6984 -4.6724
-4.5683 -4.5148 -3.3869 -3.3787 -3.2992 -3.2884 -3.2248 -3.2123
-3.1304 -3.1274 -2.8073 -2.8026 -2.7071 -2.7025 -2.5454 -2.5436
-1.1446 -1.1387 0.7824 0.8610 1.0662 1.0777 2.2221 2.2355
3.0999 3.1745
k = 0.1136 0.0554-0.0003 ( 12574 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9358 -42.2734 -42.2733 -41.9312 -41.9312
-16.7230 -16.7143 -16.0988 -16.0951 -15.8592 -15.8157 -15.6355 -15.5992
-15.4785 -15.4573 -6.9674 -6.9467 -6.7186 -6.7174 -6.4076 -6.3762
-6.2421 -6.2232 -5.9600 -5.9451 -4.9795 -4.9596 -4.6904 -4.6759
-4.5035 -4.4457 -3.3832 -3.3751 -3.2968 -3.2854 -3.2246 -3.2129
-3.1226 -3.1196 -2.8104 -2.8048 -2.7068 -2.7027 -2.5475 -2.5459
-1.1464 -1.1408 0.7637 0.8375 1.0453 1.0569 2.2169 2.2290
3.0361 3.1099
k = 0.1023 0.0498-0.0003 ( 12573 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9358 -42.2731 -42.2731 -41.9312 -41.9312
-16.7294 -16.7215 -16.1000 -16.0966 -15.8631 -15.8232 -15.6402 -15.6070
-15.4803 -15.4618 -6.9643 -6.9466 -6.7170 -6.7160 -6.3824 -6.3520
-6.2208 -6.2025 -5.9540 -5.9393 -4.9745 -4.9585 -4.6914 -4.6820
-4.4279 -4.3722 -3.3814 -3.3734 -3.2948 -3.2832 -3.2241 -3.2134
-3.1158 -3.1129 -2.8131 -2.8067 -2.7064 -2.7026 -2.5495 -2.5479
-1.1480 -1.1427 0.7476 0.8161 1.0268 1.0387 2.2122 2.2231
2.9755 3.0474
k = 0.0909 0.0443-0.0002 ( 12576 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2730 -42.2729 -41.9313 -41.9313
-16.7352 -16.7281 -16.1011 -16.0980 -15.8665 -15.8305 -15.6439 -15.6141
-15.4818 -15.4657 -6.9619 -6.9469 -6.7158 -6.7149 -6.3585 -6.3299
-6.2015 -6.1842 -5.9469 -5.9327 -4.9734 -4.9604 -4.6958 -4.6889
-4.3505 -4.2992 -3.3811 -3.3734 -3.2933 -3.2818 -3.2235 -3.2137
-3.1100 -3.1072 -2.8154 -2.8085 -2.7059 -2.7025 -2.5512 -2.5498
-1.1494 -1.1445 0.7340 0.7966 1.0108 1.0228 2.2080 2.2176
2.9189 2.9878
k = 0.0795 0.0387-0.0002 ( 12579 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2728 -42.2727 -41.9313 -41.9313
-16.7405 -16.7342 -16.1021 -16.0992 -15.8693 -15.8374 -15.6469 -15.6205
-15.4829 -15.4692 -6.9600 -6.9473 -6.7149 -6.7141 -6.3362 -6.3100
-6.1844 -6.1685 -5.9389 -5.9257 -4.9745 -4.9640 -4.7013 -4.6959
-4.2755 -4.2294 -3.3821 -3.3749 -3.2923 -3.2813 -3.2227 -3.2140
-3.1051 -3.1025 -2.8172 -2.8101 -2.7052 -2.7023 -2.5528 -2.5514
-1.1506 -1.1462 0.7229 0.7791 0.9973 1.0092 2.2043 2.2127
2.8672 2.9317
k = 0.0682 0.0332-0.0002 ( 12581 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2726 -42.2726 -41.9313 -41.9313
-16.7450 -16.7396 -16.1029 -16.1004 -15.8716 -15.8440 -15.6491 -15.6263
-15.4838 -15.4723 -6.9584 -6.9479 -6.7142 -6.7135 -6.3160 -6.2926
-6.1696 -6.1554 -5.9304 -5.9186 -4.9769 -4.9683 -4.7071 -4.7027
-4.2053 -4.1650 -3.3842 -3.3778 -3.2918 -3.2817 -3.2218 -3.2142
-3.1011 -3.0988 -2.8186 -2.8115 -2.7045 -2.7020 -2.5541 -2.5529
-1.1516 -1.1477 0.7141 0.7634 0.9861 0.9976 2.2011 2.2083
2.8212 2.8799
k = 0.0568 0.0277-0.0001 ( 12578 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2725 -42.2725 -41.9313 -41.9313
-16.7489 -16.7444 -16.1035 -16.1014 -15.8732 -15.8501 -15.6505 -15.6315
-15.4843 -15.4749 -6.9571 -6.9486 -6.7136 -6.7131 -6.2981 -6.2781
-6.1570 -6.1448 -5.9219 -5.9117 -4.9797 -4.9728 -4.7125 -4.7090
-4.1418 -4.1075 -3.3872 -3.3817 -3.2915 -3.2827 -3.2209 -3.2144
-3.0979 -3.0959 -2.8194 -2.8128 -2.7038 -2.7017 -2.5552 -2.5541
-1.1524 -1.1491 0.7077 0.7495 0.9773 0.9879 2.1985 2.2044
2.7817 2.8332
k = 0.0455 0.0221-0.0001 ( 12588 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2724 -42.2724 -41.9314 -41.9314
-16.7521 -16.7484 -16.1040 -16.1023 -15.8741 -15.8555 -15.6513 -15.6360
-15.4846 -15.4772 -6.9560 -6.9494 -6.7132 -6.7128 -6.2828 -6.2664
-6.1465 -6.1366 -5.9138 -5.9054 -4.9825 -4.9770 -4.7173 -4.7146
-4.0864 -4.0584 -3.3908 -3.3863 -3.2915 -3.2841 -3.2199 -3.2146
-3.0954 -3.0937 -2.8199 -2.8140 -2.7032 -2.7015 -2.5561 -2.5552
-1.1529 -1.1503 0.7034 0.7374 0.9706 0.9800 2.1964 2.2012
2.7493 2.7924
k = 0.0341 0.0166-0.0001 ( 12587 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2723 -42.2723 -41.9314 -41.9314
-16.7544 -16.7517 -16.1044 -16.1030 -15.8744 -15.8604 -15.6515 -15.6400
-15.4847 -15.4792 -6.9551 -6.9502 -6.7130 -6.7126 -6.2702 -6.2578
-6.1381 -6.1306 -5.9067 -5.9003 -4.9849 -4.9808 -4.7212 -4.7192
-4.0404 -4.0191 -3.3944 -3.3911 -3.2914 -3.2857 -3.2190 -3.2150
-3.0934 -3.0922 -2.8199 -2.8152 -2.7026 -2.7013 -2.5568 -2.5560
-1.1533 -1.1513 0.7012 0.7270 0.9660 0.9735 2.1950 2.1985
2.7248 2.7583
k = 0.0227 0.0111-0.0001 ( 12586 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2723 -42.2723 -41.9314 -41.9314
-16.7560 -16.7542 -16.1045 -16.1036 -15.8739 -15.8645 -15.6510 -15.6433
-15.4844 -15.4808 -6.9542 -6.9510 -6.7127 -6.7125 -6.2606 -6.2522
-6.1317 -6.1267 -5.9010 -5.8967 -4.9866 -4.9839 -4.7240 -4.7227
-4.0054 -3.9909 -3.3975 -3.3953 -3.2911 -3.2873 -3.2181 -3.2154
-3.0921 -3.0912 -2.8196 -2.8163 -2.7020 -2.7012 -2.5572 -2.5567
-1.1535 -1.1521 0.7010 0.7183 0.9633 0.9686 2.1941 2.1964
2.7087 2.7316
k = 0.0114 0.0055-0.0000 ( 12590 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7568 -16.7559 -16.1045 -16.1041 -15.8726 -15.8680 -15.6500 -15.6461
-15.4840 -15.4821 -6.9534 -6.9518 -6.7126 -6.7125 -6.2539 -6.2497
-6.1274 -6.1249 -5.8969 -5.8948 -4.9874 -4.9860 -4.7256 -4.7250
-3.9823 -3.9750 -3.3995 -3.3984 -3.2906 -3.2887 -3.2173 -3.2159
-3.0912 -3.0908 -2.8190 -2.8173 -2.7016 -2.7012 -2.5574 -2.5571
-1.1534 -1.1527 0.7027 0.7114 0.9623 0.9650 2.1938 2.1949
2.7013 2.7129
k = 0.0000 0.0000 0.0000 ( 12595 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7567 -16.7567 -16.1044 -16.1044 -15.8707 -15.8707 -15.6483 -15.6483
-15.4832 -15.4832 -6.9526 -6.9526 -6.7125 -6.7125 -6.2503 -6.2503
-6.1252 -6.1252 -5.8949 -5.8949 -4.9872 -4.9872 -4.7260 -4.7260
-3.9720 -3.9720 -3.3999 -3.3999 -3.2898 -3.2898 -3.2166 -3.2166
-3.0908 -3.0908 -2.8183 -2.8183 -2.7014 -2.7014 -2.5574 -2.5574
-1.1532 -1.1532 0.7061 0.7061 0.9629 0.9629 2.1940 2.1940
2.7027 2.7027
k = 0.0000 0.0000 0.0000 ( 12595 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7567 -16.7567 -16.1044 -16.1044 -15.8707 -15.8707 -15.6483 -15.6483
-15.4832 -15.4832 -6.9526 -6.9526 -6.7125 -6.7125 -6.2503 -6.2503
-6.1252 -6.1252 -5.8949 -5.8949 -4.9872 -4.9872 -4.7260 -4.7260
-3.9720 -3.9720 -3.3999 -3.3999 -3.2898 -3.2898 -3.2166 -3.2166
-3.0908 -3.0908 -2.8183 -2.8183 -2.7014 -2.7014 -2.5574 -2.5574
-1.1532 -1.1532 0.7061 0.7061 0.9629 0.9629 2.1940 2.1940
2.7027 2.7027
k = 0.0000 0.0000 0.0129 ( 12589 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7567 -16.7567 -16.1045 -16.1043 -15.8709 -15.8704 -15.6484 -15.6482
-15.4834 -15.4830 -6.9525 -6.9522 -6.7122 -6.7120 -6.2503 -6.2502
-6.1253 -6.1250 -5.8950 -5.8947 -4.9884 -4.9868 -4.7269 -4.7257
-3.9722 -3.9718 -3.4017 -3.3981 -3.2927 -3.2875 -3.2190 -3.2150
-3.0911 -3.0904 -2.8184 -2.8181 -2.7016 -2.7011 -2.5576 -2.5567
-1.1537 -1.1523 0.7050 0.7068 0.9615 0.9640 2.1940 2.1961
2.7027 2.7036
k = 0.0000 0.0000 0.0258 ( 12587 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7567 -16.7565 -16.1046 -16.1041 -15.8712 -15.8702 -15.6485 -15.6482
-15.4838 -15.4830 -6.9521 -6.9515 -6.7110 -6.7107 -6.2503 -6.2500
-6.1255 -6.1248 -5.8952 -5.8945 -4.9902 -4.9871 -4.7285 -4.7260
-3.9723 -3.9715 -3.4037 -3.3965 -3.2962 -3.2859 -3.2223 -3.2143
-3.0913 -3.0899 -2.8186 -2.8180 -2.7019 -2.7008 -2.5574 -2.5557
-1.1538 -1.1512 0.7035 0.7070 0.9598 0.9647 2.1959 2.2001
2.7035 2.7053
k = 0.0000 0.0000 0.0387 ( 12593 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7565 -16.7563 -16.1046 -16.1040 -15.8715 -15.8700 -15.6486 -15.6481
-15.4843 -15.4831 -6.9512 -6.9504 -6.7089 -6.7085 -6.2502 -6.2498
-6.1256 -6.1245 -5.8953 -5.8942 -4.9928 -4.9882 -4.7308 -4.7271
-3.9723 -3.9712 -3.4057 -3.3949 -3.3002 -3.2849 -3.2261 -3.2144
-3.0914 -3.0895 -2.8187 -2.8179 -2.7021 -2.7005 -2.5568 -2.5543
-1.1536 -1.1497 0.7016 0.7067 0.9579 0.9649 2.1998 2.2059
2.7051 2.7078
k = 0.0000 0.0000 0.0516 ( 12592 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7563 -16.7561 -16.1046 -16.1038 -15.8718 -15.8698 -15.6488 -15.6481
-15.4849 -15.4834 -6.9501 -6.9490 -6.7061 -6.7055 -6.2500 -6.2495
-6.1256 -6.1243 -5.8954 -5.8940 -4.9961 -4.9901 -4.7335 -4.7287
-3.9723 -3.9708 -3.4078 -3.3935 -3.3050 -3.2849 -3.2300 -3.2152
-3.0915 -3.0891 -2.8189 -2.8178 -2.7023 -2.7003 -2.5559 -2.5526
-1.1531 -1.1481 0.6994 0.7060 0.9558 0.9648 2.2055 2.2133
2.7075 2.7111
k = 0.0000 0.0000 0.0645 ( 12589 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7561 -16.7558 -16.1046 -16.1037 -15.8721 -15.8697 -15.6489 -15.6480
-15.4855 -15.4837 -6.9486 -6.9473 -6.7025 -6.7018 -6.2498 -6.2492
-6.1257 -6.1240 -5.8955 -5.8938 -5.0000 -4.9928 -4.7367 -4.7309
-3.9722 -3.9704 -3.4099 -3.3922 -3.3103 -3.2858 -3.2338 -3.2165
-3.0914 -3.0887 -2.8190 -2.8178 -2.7024 -2.7002 -2.5545 -2.5508
-1.1522 -1.1463 0.6969 0.7049 0.9537 0.9643 2.2127 2.2220
2.7107 2.7150
k = 0.0000 0.0000 0.0774 ( 12585 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7558 -16.7554 -16.1046 -16.1035 -15.8723 -15.8696 -15.6490 -15.6480
-15.4862 -15.4841 -6.9469 -6.9455 -6.6982 -6.6974 -6.2495 -6.2488
-6.1256 -6.1237 -5.8955 -5.8935 -5.0045 -4.9962 -4.7401 -4.7335
-3.9720 -3.9700 -3.4121 -3.3911 -3.3163 -3.2880 -3.2368 -3.2181
-3.0913 -3.0884 -2.8191 -2.8178 -2.7025 -2.7000 -2.5529 -2.5487
-1.1511 -1.1443 0.6943 0.7033 0.9515 0.9634 2.2213 2.2317
2.7146 2.7196
k = 0.0000 0.0000 0.0902 ( 12571 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7554 -16.7550 -16.1045 -16.1033 -15.8726 -15.8696 -15.6491 -15.6480
-15.4869 -15.4847 -6.9450 -6.9435 -6.6933 -6.6925 -6.2492 -6.2484
-6.1255 -6.1234 -5.8954 -5.8932 -5.0096 -5.0005 -4.7438 -4.7365
-3.9718 -3.9695 -3.4144 -3.3903 -3.3227 -3.2913 -3.2390 -3.2198
-3.0912 -3.0882 -2.8193 -2.8178 -2.7025 -2.7000 -2.5510 -2.5466
-1.1497 -1.1424 0.6915 0.7013 0.9494 0.9621 2.2309 2.2420
2.7192 2.7247
k = 0.0000 0.0000 0.1031 ( 12571 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7551 -16.7546 -16.1044 -16.1032 -15.8728 -15.8696 -15.6492 -15.6481
-15.4877 -15.4853 -6.9431 -6.9415 -6.6879 -6.6870 -6.2488 -6.2479
-6.1254 -6.1231 -5.8953 -5.8929 -5.0153 -5.0054 -4.7475 -4.7398
-3.9715 -3.9691 -3.4167 -3.3899 -3.3294 -3.2957 -3.2403 -3.2214
-3.0910 -3.0880 -2.8194 -2.8179 -2.7024 -2.7000 -2.5490 -2.5445
-1.1482 -1.1404 0.6887 0.6990 0.9474 0.9606 2.2411 2.2527
2.7243 2.7302
k = 0.0000 0.0000 0.1160 ( 12565 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7547 -16.7542 -16.1043 -16.1030 -15.8729 -15.8697 -15.6493 -15.6481
-15.4884 -15.4860 -6.9411 -6.9395 -6.6821 -6.6813 -6.2483 -6.2474
-6.1252 -6.1227 -5.8951 -5.8926 -5.0213 -5.0111 -4.7511 -4.7432
-3.9712 -3.9687 -3.4190 -3.3900 -3.3360 -3.3009 -3.2408 -3.2230
-3.0908 -3.0879 -2.8194 -2.8180 -2.7024 -2.7000 -2.5469 -2.5424
-1.1465 -1.1386 0.6859 0.6965 0.9456 0.9589 2.2517 2.2634
2.7299 2.7359
k = 0.0000 0.0000 0.1289 ( 12557 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7542 -16.7538 -16.1041 -16.1029 -15.8730 -15.8698 -15.6493 -15.6482
-15.4891 -15.4867 -6.9391 -6.9375 -6.6762 -6.6753 -6.2478 -6.2469
-6.1249 -6.1224 -5.8949 -5.8923 -5.0275 -5.0172 -4.7546 -4.7466
-3.9709 -3.9683 -3.4212 -3.3909 -3.3420 -3.3064 -3.2406 -3.2244
-3.0906 -3.0878 -2.8195 -2.8181 -2.7023 -2.7000 -2.5448 -2.5404
-1.1448 -1.1369 0.6832 0.6938 0.9441 0.9571 2.2624 2.2737
2.7357 2.7418
k = 0.0000 0.0000 0.1418 ( 12552 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7538 -16.7534 -16.1040 -16.1027 -15.8731 -15.8699 -15.6494 -15.6482
-15.4898 -15.4874 -6.9372 -6.9357 -6.6701 -6.6693 -6.2473 -6.2464
-6.1245 -6.1221 -5.8946 -5.8919 -5.0339 -5.0238 -4.7578 -4.7500
-3.9705 -3.9679 -3.4233 -3.3928 -3.3470 -3.3121 -3.2400 -3.2255
-3.0904 -3.0879 -2.8196 -2.8182 -2.7022 -2.7001 -2.5427 -2.5385
-1.1430 -1.1354 0.6807 0.6909 0.9427 0.9551 2.2727 2.2835
2.7416 2.7477
k = 0.0000 0.0000 0.1547 ( 12550 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7534 -16.7530 -16.1038 -16.1026 -15.8731 -15.8701 -15.6494 -15.6483
-15.4904 -15.4881 -6.9355 -6.9340 -6.6642 -6.6634 -6.2468 -6.2458
-6.1241 -6.1217 -5.8942 -5.8916 -5.0402 -5.0306 -4.7606 -4.7533
-3.9701 -3.9676 -3.4252 -3.3958 -3.3507 -3.3177 -3.2391 -3.2266
-3.0902 -3.0879 -2.8196 -2.8183 -2.7021 -2.7002 -2.5407 -2.5369
-1.1413 -1.1341 0.6784 0.6880 0.9416 0.9531 2.2825 2.2925
2.7476 2.7533
k = 0.0000 0.0000 0.1676 ( 12542 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7530 -16.7527 -16.1037 -16.1026 -15.8731 -15.8704 -15.6494 -15.6484
-15.4909 -15.4889 -6.9339 -6.9326 -6.6586 -6.6579 -6.2462 -6.2454
-6.1237 -6.1214 -5.8937 -5.8913 -5.0462 -5.0373 -4.7630 -4.7564
-3.9696 -3.9674 -3.4268 -3.3998 -3.3529 -3.3230 -3.2381 -3.2274
-3.0900 -3.0880 -2.8196 -2.8185 -2.7020 -2.7004 -2.5388 -2.5354
-1.1396 -1.1331 0.6765 0.6852 0.9408 0.9511 2.2915 2.3005
2.7533 2.7585
k = 0.0000 0.0000 0.1805 ( 12550 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7527 -16.7524 -16.1035 -16.1025 -15.8730 -15.8706 -15.6494 -15.6485
-15.4914 -15.4896 -6.9324 -6.9313 -6.6535 -6.6529 -6.2457 -6.2449
-6.1232 -6.1212 -5.8932 -5.8911 -5.0516 -5.0438 -4.7650 -4.7591
-3.9692 -3.9672 -3.4280 -3.4045 -3.3538 -3.3280 -3.2370 -3.2282
-3.0898 -3.0881 -2.8196 -2.8186 -2.7018 -2.7005 -2.5371 -2.5342
-1.1380 -1.1323 0.6749 0.6825 0.9403 0.9492 2.2996 2.3074
2.7585 2.7632
k = 0.0000 0.0000 0.1934 ( 12544 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7524 -16.7521 -16.1033 -16.1025 -15.8729 -15.8709 -15.6494 -15.6487
-15.4917 -15.4902 -6.9312 -6.9303 -6.6490 -6.6485 -6.2452 -6.2446
-6.1227 -6.1210 -5.8927 -5.8909 -5.0562 -5.0497 -4.7664 -4.7616
-3.9688 -3.9671 -3.4286 -3.4093 -3.3536 -3.3326 -3.2358 -3.2289
-3.0896 -3.0882 -2.8196 -2.8188 -2.7017 -2.7006 -2.5356 -2.5332
-1.1366 -1.1318 0.6737 0.6801 0.9400 0.9474 2.3066 2.3130
2.7632 2.7671
k = 0.0000 0.0000 0.2063 ( 12545 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7521 -16.7519 -16.1031 -16.1025 -15.8728 -15.8712 -15.6493 -15.6488
-15.4919 -15.4907 -6.9303 -6.9296 -6.6454 -6.6450 -6.2448 -6.2443
-6.1222 -6.1209 -5.8922 -5.8908 -5.0599 -5.0548 -4.7674 -4.7637
-3.9684 -3.9671 -3.4287 -3.4140 -3.3527 -3.3367 -3.2347 -3.2296
-3.0894 -3.0884 -2.8196 -2.8190 -2.7016 -2.7008 -2.5343 -2.5325
-1.1352 -1.1315 0.6729 0.6778 0.9401 0.9457 2.3123 2.3172
2.7672 2.7702
k = 0.0000 0.0000 0.2192 ( 12541 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7519 -16.7518 -16.1030 -16.1026 -15.8726 -15.8715 -15.6493 -15.6489
-15.4920 -15.4912 -6.9295 -6.9290 -6.6426 -6.6424 -6.2444 -6.2441
-6.1218 -6.1209 -5.8918 -5.8908 -5.0623 -5.0589 -4.7680 -4.7654
-3.9681 -3.9672 -3.4281 -3.4182 -3.3512 -3.3405 -3.2337 -3.2303
-3.0892 -3.0885 -2.8195 -2.8191 -2.7015 -2.7009 -2.5333 -2.5321
-1.1341 -1.1316 0.6726 0.6760 0.9404 0.9442 2.3166 2.3200
2.7703 2.7724
k = 0.0000 0.0000 0.2321 ( 12535 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7518 -16.7517 -16.1029 -16.1026 -15.8723 -15.8718 -15.6492 -15.6490
-15.4920 -15.4916 -6.9290 -6.9288 -6.6409 -6.6408 -6.2442 -6.2440
-6.1214 -6.1210 -5.8914 -5.8909 -5.0635 -5.0618 -4.7680 -4.7667
-3.9678 -3.9673 -3.4268 -3.4218 -3.3492 -3.3438 -3.2327 -3.2310
-3.0891 -3.0887 -2.8194 -2.8192 -2.7013 -2.7011 -2.5326 -2.5320
-1.1331 -1.1318 0.6728 0.6745 0.9410 0.9429 2.3196 2.3213
2.7724 2.7735
k = 0.0000 0.0000 0.2450 ( 12530 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7517 -16.7517 -16.1027 -16.1027 -15.8721 -15.8721 -15.6491 -15.6491
-15.4919 -15.4919 -6.9288 -6.9288 -6.6403 -6.6403 -6.2441 -6.2441
-6.1212 -6.1212 -5.8911 -5.8911 -5.0633 -5.0633 -4.7676 -4.7676
-3.9675 -3.9675 -3.4247 -3.4247 -3.3467 -3.3467 -3.2318 -3.2318
-3.0889 -3.0889 -2.8193 -2.8193 -2.7012 -2.7012 -2.5321 -2.5321
-1.1324 -1.1324 0.6734 0.6734 0.9418 0.9418 2.3212 2.3212
2.7735 2.7735
k = 0.5000-0.0015 0.2442 ( 12592 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2813 -42.2813 -41.9302 -41.9302
-16.5140 -16.5140 -16.0463 -16.0463 -15.7085 -15.7085 -15.4693 -15.4693
-14.9519 -14.9519 -7.8095 -7.8095 -7.1678 -7.1678 -7.0695 -7.0695
-6.6534 -6.6534 -6.4692 -6.4692 -5.9195 -5.9195 -4.7504 -4.7504
-4.4986 -4.4986 -3.8570 -3.8570 -3.5201 -3.5201 -3.3151 -3.3151
-3.1871 -3.1871 -2.8164 -2.8164 -2.7639 -2.7639 -2.4692 -2.4692
-1.0733 -1.0733 1.9296 1.9296 2.1328 2.1328 2.5561 2.5561
4.6943 4.6943
k = 0.4886-0.0014 0.2386 ( 12600 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9365 -42.2813 -42.2813 -41.9302 -41.9302
-16.5147 -16.5137 -16.0465 -16.0463 -15.7097 -15.7076 -15.4699 -15.4688
-14.9538 -14.9527 -7.8103 -7.8031 -7.1712 -7.1622 -7.0694 -7.0678
-6.6533 -6.6528 -6.4696 -6.4685 -5.9198 -5.9195 -4.7509 -4.7500
-4.4990 -4.4985 -3.8563 -3.8562 -3.5199 -3.5193 -3.3152 -3.3150
-3.1873 -3.1870 -2.8163 -2.8158 -2.7640 -2.7636 -2.4694 -2.4691
-1.0735 -1.0733 1.9245 1.9305 2.1292 2.1331 2.5531 2.5568
4.6910 4.6943
k = 0.4773-0.0014 0.2331 ( 12602 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9365 -42.2813 -42.2813 -41.9302 -41.9302
-16.5158 -16.5139 -16.0469 -16.0464 -15.7111 -15.7069 -15.4708 -15.4684
-14.9582 -14.9559 -7.8054 -7.7909 -7.1724 -7.1543 -7.0674 -7.0642
-6.6525 -6.6515 -6.4699 -6.4677 -5.9203 -5.9196 -4.7515 -4.7497
-4.4996 -4.4987 -3.8540 -3.8538 -3.5185 -3.5173 -3.3153 -3.3148
-3.1875 -3.1870 -2.8158 -2.8148 -2.7638 -2.7629 -2.4698 -2.4693
-1.0739 -1.0734 1.9153 1.9273 2.1223 2.1302 2.5479 2.5553
4.6842 4.6908
k = 0.4659-0.0014 0.2275 ( 12601 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9365 -42.2813 -42.2812 -41.9302 -41.9302
-16.5175 -16.5146 -16.0473 -16.0467 -15.7128 -15.7064 -15.4719 -15.4683
-14.9651 -14.9617 -7.7951 -7.7731 -7.1714 -7.1441 -7.0637 -7.0588
-6.6510 -6.6494 -6.4700 -6.4667 -5.9211 -5.9201 -4.7521 -4.7494
-4.5004 -4.4991 -3.8503 -3.8499 -3.5160 -3.5141 -3.3154 -3.3146
-3.1879 -3.1871 -2.8146 -2.8131 -2.7632 -2.7620 -2.4705 -2.4697
-1.0745 -1.0738 1.9020 1.9199 2.1122 2.1241 2.5406 2.5516
4.6741 4.6838
k = 0.4545-0.0013 0.2220 ( 12596 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9365 -42.2812 -42.2812 -41.9302 -41.9302
-16.5195 -16.5157 -16.0480 -16.0470 -15.7146 -15.7062 -15.4731 -15.4683
-14.9744 -14.9698 -7.7796 -7.7497 -7.1683 -7.1316 -7.0581 -7.0515
-6.6487 -6.6466 -6.4698 -6.4653 -5.9221 -5.9207 -4.7528 -4.7492
-4.5016 -4.4998 -3.8450 -3.8445 -3.5124 -3.5099 -3.3154 -3.3144
-3.1884 -3.1874 -2.8129 -2.8110 -2.7624 -2.7608 -2.4713 -2.4703
-1.0752 -1.0743 1.8847 1.9086 2.0989 2.1146 2.5314 2.5459
4.6605 4.6734
k = 0.4432-0.0013 0.2164 ( 12591 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2811 -42.2810 -41.9302 -41.9302
-16.5220 -16.5172 -16.0487 -16.0476 -15.7168 -15.7062 -15.4745 -15.4685
-14.9862 -14.9803 -7.7591 -7.7210 -7.1631 -7.1169 -7.0507 -7.0423
-6.6456 -6.6428 -6.4693 -6.4636 -5.9233 -5.9216 -4.7537 -4.7491
-4.5029 -4.5007 -3.8382 -3.8375 -3.5077 -3.5045 -3.3153 -3.3142
-3.1889 -3.1877 -2.8108 -2.8085 -2.7614 -2.7593 -2.4723 -2.4711
-1.0762 -1.0750 1.8635 1.8932 2.0823 2.1017 2.5206 2.5384
4.6434 4.6595
k = 0.4318-0.0013 0.2109 ( 12597 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9365 -42.2810 -42.2809 -41.9302 -41.9302
-16.5249 -16.5193 -16.0496 -16.0483 -15.7191 -15.7064 -15.4762 -15.4688
-15.0001 -14.9929 -7.7341 -7.6874 -7.1559 -7.1000 -7.0417 -7.0313
-6.6416 -6.6381 -6.4683 -6.4612 -5.9247 -5.9227 -4.7546 -4.7491
-4.5046 -4.5019 -3.8300 -3.8292 -3.5019 -3.4981 -3.3153 -3.3139
-3.1896 -3.1881 -2.8082 -2.8055 -2.7600 -2.7576 -2.4736 -2.4721
-1.0773 -1.0759 1.8385 1.8741 2.0625 2.0855 2.5085 2.5293
4.6228 4.6420
k = 0.4205-0.0012 0.2053 ( 12602 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9364 -42.2808 -42.2808 -41.9303 -41.9303
-16.5283 -16.5217 -16.0506 -16.0491 -15.7217 -15.7068 -15.4780 -15.4693
-15.0162 -15.0076 -7.7051 -7.6491 -7.1467 -7.0810 -7.0309 -7.0185
-6.6367 -6.6322 -6.4666 -6.4580 -5.9264 -5.9240 -4.7556 -4.7492
-4.5064 -4.5034 -3.8203 -3.8194 -3.4951 -3.4907 -3.3152 -3.3135
-3.1903 -3.1886 -2.8052 -2.8022 -2.7584 -2.7557 -2.4750 -2.4732
-1.0787 -1.0770 1.8099 1.8512 2.0395 2.0657 2.4954 2.5190
4.5986 4.6208
k = 0.4091-0.0012 0.1998 ( 12598 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9364 -42.2807 -42.2806 -41.9303 -41.9303
-16.5321 -16.5247 -16.0518 -16.0500 -15.7245 -15.7074 -15.4800 -15.4700
-15.0342 -15.0241 -7.6724 -7.6068 -7.1355 -7.0602 -7.0185 -7.0039
-6.6306 -6.6252 -6.4639 -6.4536 -5.9282 -5.9254 -4.7568 -4.7494
-4.5086 -4.5051 -3.8093 -3.8082 -3.4873 -3.4822 -3.3150 -3.3131
-3.1912 -3.1892 -2.8018 -2.7986 -2.7566 -2.7534 -2.4765 -2.4746
-1.0801 -1.0783 1.7779 1.8248 2.0133 2.0425 2.4818 2.5076
4.5708 4.5960
k = 0.3977-0.0012 0.1942 ( 12597 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9364 -42.2805 -42.2804 -41.9303 -41.9303
-16.5363 -16.5281 -16.0531 -16.0511 -15.7276 -15.7083 -15.4823 -15.4708
-15.0540 -15.0422 -7.6367 -7.5609 -7.1225 -7.0378 -7.0046 -6.9875
-6.6235 -6.6169 -6.4597 -6.4475 -5.9302 -5.9271 -4.7581 -4.7498
-4.5110 -4.5071 -3.7969 -3.7956 -3.4786 -3.4728 -3.3147 -3.3127
-3.1921 -3.1900 -2.7982 -2.7949 -2.7546 -2.7510 -2.4783 -2.4761
-1.0818 -1.0797 1.7429 1.7951 1.9841 2.0159 2.4678 2.4956
4.5394 4.5675
k = 0.3864-0.0011 0.1887 ( 12604 PWs) bands (ev):
-82.9553 -82.9553 -52.9364 -52.9364 -42.2803 -42.2802 -41.9303 -41.9303
-16.5409 -16.5319 -16.0545 -16.0523 -15.7309 -15.7093 -15.4848 -15.4717
-15.0753 -15.0618 -7.5986 -7.5122 -7.1076 -7.0146 -6.9890 -6.9694
-6.6154 -6.6074 -6.4534 -6.4390 -5.9324 -5.9288 -4.7595 -4.7502
-4.5136 -4.5094 -3.7832 -3.7818 -3.4689 -3.4624 -3.3144 -3.3121
-3.1931 -3.1908 -2.7945 -2.7910 -2.7524 -2.7483 -2.4802 -2.4779
-1.0836 -1.0812 1.7051 1.7624 1.9520 1.9859 2.4537 2.4830
4.5044 4.5353
k = 0.3750-0.0011 0.1831 ( 12602 PWs) bands (ev):
-82.9553 -82.9553 -52.9364 -52.9364 -42.2801 -42.2800 -41.9304 -41.9304
-16.5460 -16.5362 -16.0560 -16.0536 -15.7344 -15.7106 -15.4875 -15.4729
-15.0980 -15.0827 -7.5587 -7.4616 -7.0909 -6.9912 -6.9716 -6.9495
-6.6064 -6.5970 -6.4440 -6.4271 -5.9348 -5.9307 -4.7611 -4.7508
-4.5165 -4.5120 -3.7684 -3.7668 -3.4584 -3.4512 -3.3139 -3.3115
-3.1942 -3.1917 -2.7906 -2.7872 -2.7500 -2.7455 -2.4823 -2.4798
-1.0856 -1.0830 1.6648 1.7269 1.9171 1.9527 2.4398 2.4702
4.4659 4.4994
k = 0.3636-0.0011 0.1776 ( 12600 PWs) bands (ev):
-82.9553 -82.9553 -52.9364 -52.9363 -42.2798 -42.2797 -41.9304 -41.9304
-16.5514 -16.5409 -16.0576 -16.0550 -15.7382 -15.7121 -15.4904 -15.4741
-15.1219 -15.1046 -7.5177 -7.4099 -7.0725 -6.9688 -6.9521 -6.9281
-6.5967 -6.5861 -6.4305 -6.4103 -5.9372 -5.9327 -4.7629 -4.7516
-4.5197 -4.5148 -3.7523 -3.7506 -3.4471 -3.4391 -3.3134 -3.3107
-3.1954 -3.1927 -2.7869 -2.7835 -2.7475 -2.7424 -2.4846 -2.4819
-1.0877 -1.0848 1.6223 1.6889 1.8798 1.9165 2.4262 2.4573
4.4238 4.4600
k = 0.3523-0.0010 0.1720 ( 12600 PWs) bands (ev):
-82.9553 -82.9553 -52.9364 -52.9363 -42.2796 -42.2795 -41.9304 -41.9304
-16.5572 -16.5461 -16.0593 -16.0565 -15.7422 -15.7138 -15.4936 -15.4755
-15.1467 -15.1272 -7.4760 -7.3583 -7.0524 -6.9479 -6.9306 -6.9054
-6.5869 -6.5755 -6.4114 -6.3872 -5.9398 -5.9348 -4.7648 -4.7525
-4.5231 -4.5179 -3.7353 -3.7334 -3.4351 -3.4264 -3.3127 -3.3098
-3.1967 -3.1937 -2.7833 -2.7799 -2.7449 -2.7391 -2.4869 -2.4841
-1.0900 -1.0868 1.5780 1.6488 1.8401 1.8777 2.4129 2.4444
4.3784 4.4171
k = 0.3409-0.0010 0.1665 ( 12591 PWs) bands (ev):
-82.9553 -82.9553 -52.9364 -52.9363 -42.2793 -42.2792 -41.9304 -41.9304
-16.5634 -16.5517 -16.0610 -16.0581 -15.7464 -15.7157 -15.4971 -15.4771
-15.1722 -15.1504 -7.4342 -7.3079 -7.0308 -6.9282 -6.9079 -6.8818
-6.5773 -6.5658 -6.3853 -6.3562 -5.9424 -5.9369 -4.7670 -4.7536
-4.5268 -4.5213 -3.7172 -3.7152 -3.4226 -3.4130 -3.3118 -3.3087
-3.1980 -3.1948 -2.7800 -2.7766 -2.7421 -2.7357 -2.4894 -2.4865
-1.0923 -1.0889 1.5322 1.6069 1.7986 1.8366 2.4001 2.4315
4.3297 4.3709
k = 0.3295-0.0010 0.1609 ( 12583 PWs) bands (ev):
-82.9552 -82.9552 -52.9363 -52.9363 -42.2790 -42.2789 -41.9305 -41.9305
-16.5700 -16.5577 -16.0629 -16.0598 -15.7509 -15.7178 -15.5009 -15.4788
-15.1982 -15.1740 -7.3929 -7.2596 -7.0076 -6.9093 -6.8847 -6.8578
-6.5685 -6.5572 -6.3510 -6.3163 -5.9450 -5.9389 -4.7694 -4.7549
-4.5308 -4.5250 -3.6983 -3.6961 -3.4096 -3.3990 -3.3108 -3.3073
-3.1993 -3.1959 -2.7771 -2.7736 -2.7392 -2.7321 -2.4921 -2.4890
-1.0948 -1.0911 1.4853 1.5636 1.7554 1.7935 2.3876 2.4189
4.2780 4.3215
k = 0.3182-0.0009 0.1554 ( 12587 PWs) bands (ev):
-82.9553 -82.9553 -52.9363 -52.9362 -42.2787 -42.2786 -41.9305 -41.9305
-16.5769 -16.5641 -16.0648 -16.0615 -15.7555 -15.7202 -15.5050 -15.4807
-15.2244 -15.1976 -7.3524 -7.2146 -6.9832 -6.8911 -6.8614 -6.8338
-6.5604 -6.5498 -6.3080 -6.2671 -5.9476 -5.9408 -4.7721 -4.7563
-4.5350 -4.5290 -3.6786 -3.6762 -3.3964 -3.3847 -3.3094 -3.3056
-3.2007 -3.1970 -2.7748 -2.7711 -2.7363 -2.7286 -2.4948 -2.4917
-1.0975 -1.0935 1.4376 1.5191 1.7109 1.7489 2.3756 2.4065
4.2234 4.2693
k = 0.3068-0.0009 0.1498 ( 12584 PWs) bands (ev):
-82.9553 -82.9553 -52.9363 -52.9362 -42.2784 -42.2783 -41.9306 -41.9306
-16.5841 -16.5710 -16.0668 -16.0634 -15.7604 -15.7227 -15.5095 -15.4827
-15.2506 -15.2210 -7.3131 -7.1735 -6.9578 -6.8737 -6.8380 -6.8097
-6.5529 -6.5431 -6.2559 -6.2090 -5.9501 -5.9424 -4.7750 -4.7580
-4.5396 -4.5333 -3.6583 -3.6557 -3.3832 -3.3703 -3.3077 -3.3033
-3.2020 -3.1981 -2.7729 -2.7690 -2.7333 -2.7250 -2.4976 -2.4945
-1.1001 -1.0959 1.3894 1.4739 1.6655 1.7031 2.3640 2.3943
4.1662 4.2144
k = 0.2955-0.0009 0.1443 ( 12583 PWs) bands (ev):
-82.9553 -82.9553 -52.9363 -52.9362 -42.2781 -42.2780 -41.9306 -41.9306
-16.5916 -16.5781 -16.0688 -16.0652 -15.7656 -15.7255 -15.5143 -15.4850
-15.2765 -15.2441 -7.2752 -7.1368 -6.9319 -6.8572 -6.8143 -6.7855
-6.5456 -6.5366 -6.1952 -6.1431 -5.9522 -5.9434 -4.7781 -4.7598
-4.5444 -4.5379 -3.6375 -3.6346 -3.3702 -3.3561 -3.3052 -3.3004
-3.2034 -3.1991 -2.7716 -2.7676 -2.7304 -2.7215 -2.5005 -2.4974
-1.1029 -1.0984 1.3412 1.4282 1.6195 1.6566 2.3528 2.3824
4.1066 4.1571
k = 0.2841-0.0008 0.1387 ( 12589 PWs) bands (ev):
-82.9553 -82.9553 -52.9362 -52.9362 -42.2778 -42.2777 -41.9306 -41.9306
-16.5994 -16.5857 -16.0709 -16.0672 -15.7709 -15.7286 -15.5196 -15.4876
-15.3019 -15.2665 -7.2391 -7.1046 -6.9057 -6.8416 -6.7903 -6.7612
-6.5379 -6.5298 -6.1268 -6.0715 -5.9534 -5.9427 -4.7815 -4.7617
-4.5495 -4.5428 -3.6162 -3.6132 -3.3581 -3.3427 -3.3017 -3.2962
-3.2047 -3.2000 -2.7709 -2.7667 -2.7275 -2.7182 -2.5035 -2.5005
-1.1058 -1.1010 1.2932 1.3824 1.5734 1.6097 2.3419 2.3707
4.0450 4.0976
k = 0.2727-0.0008 0.1332 ( 12593 PWs) bands (ev):
-82.9553 -82.9553 -52.9362 -52.9361 -42.2775 -42.2774 -41.9307 -41.9307
-16.6075 -16.5936 -16.0730 -16.0692 -15.7764 -15.7319 -15.5254 -15.4905
-15.3266 -15.2882 -7.2049 -7.0768 -6.8800 -6.8268 -6.7657 -6.7370
-6.5294 -6.5222 -6.0535 -6.0024 -5.9506 -5.9338 -4.7852 -4.7638
-4.5549 -4.5480 -3.5948 -3.5915 -3.3472 -3.3313 -3.2963 -3.2905
-3.2060 -3.2006 -2.7708 -2.7665 -2.7247 -2.7152 -2.5065 -2.5036
-1.1087 -1.1036 1.2457 1.3368 1.5273 1.5627 2.3313 2.3593
3.9814 4.0363
k = 0.2614-0.0008 0.1276 ( 12595 PWs) bands (ev):
-82.9553 -82.9553 -52.9362 -52.9361 -42.2772 -42.2771 -41.9307 -41.9307
-16.6158 -16.6017 -16.0751 -16.0712 -15.7821 -15.7355 -15.5317 -15.4937
-15.3501 -15.3088 -7.1728 -7.0531 -6.8551 -6.8129 -6.7404 -6.7131
-6.5195 -6.5131 -5.9905 -5.9722 -5.9281 -5.8832 -4.7890 -4.7658
-4.5606 -4.5535 -3.5733 -3.5697 -3.3382 -3.3227 -3.2884 -3.2823
-3.2073 -3.2009 -2.7711 -2.7669 -2.7220 -2.7125 -2.5096 -2.5068
-1.1116 -1.1063 1.1990 1.2916 1.4818 1.5162 2.3210 2.3482
3.9163 3.9735
k = 0.2500-0.0007 0.1221 ( 12585 PWs) bands (ev):
-82.9553 -82.9553 -52.9361 -52.9361 -42.2768 -42.2767 -41.9308 -41.9308
-16.6242 -16.6102 -16.0772 -16.0732 -15.7879 -15.7394 -15.5385 -15.4976
-15.3723 -15.3283 -7.1431 -7.0332 -6.8315 -6.7996 -6.7145 -6.6897
-6.5076 -6.5020 -5.9714 -5.9679 -5.8587 -5.7992 -4.7929 -4.7678
-4.5665 -4.5593 -3.5519 -3.5481 -3.3312 -3.3170 -3.2789 -3.2714
-3.2083 -3.2006 -2.7720 -2.7679 -2.7196 -2.7101 -2.5127 -2.5100
-1.1146 -1.1091 1.1535 1.2473 1.4371 1.4703 2.3110 2.3374
3.8497 3.9092
k = 0.2386-0.0007 0.1165 ( 12583 PWs) bands (ev):
-82.9553 -82.9553 -52.9361 -52.9360 -42.2765 -42.2764 -41.9308 -41.9308
-16.6328 -16.6188 -16.0793 -16.0752 -15.7939 -15.7437 -15.5459 -15.5021
-15.3926 -15.3464 -7.1159 -7.0166 -6.8096 -6.7869 -6.6881 -6.6668
-6.4936 -6.4884 -5.9710 -5.9656 -5.7684 -5.7071 -4.7969 -4.7695
-4.5728 -4.5654 -3.5309 -3.5268 -3.3259 -3.3130 -3.2689 -3.2584
-3.2092 -3.1996 -2.7734 -2.7695 -2.7174 -2.7081 -2.5158 -2.5133
-1.1176 -1.1118 1.1093 1.2039 1.3934 1.4254 2.3014 2.3268
3.7820 3.8438
k = 0.2273-0.0007 0.1110 ( 12584 PWs) bands (ev):
-82.9553 -82.9553 -52.9361 -52.9360 -42.2762 -42.2761 -41.9309 -41.9308
-16.6415 -16.6277 -16.0814 -16.0772 -15.8000 -15.7483 -15.5539 -15.5076
-15.4109 -15.3631 -7.0914 -7.0029 -6.7899 -6.7748 -6.6613 -6.6444
-6.4773 -6.4715 -5.9722 -5.9651 -5.6718 -5.6116 -4.8008 -4.7707
-4.5793 -4.5717 -3.5104 -3.5059 -3.3220 -3.3098 -3.2591 -3.2447
-3.2097 -3.1973 -2.7753 -2.7717 -2.7156 -2.7065 -2.5189 -2.5166
-1.1205 -1.1146 1.0667 1.1618 1.3511 1.3817 2.2920 2.3165
3.7133 3.7775
k = 0.2159-0.0006 0.1054 ( 12578 PWs) bands (ev):
-82.9553 -82.9553 -52.9361 -52.9360 -42.2759 -42.2757 -41.9309 -41.9309
-16.6503 -16.6367 -16.0834 -16.0792 -15.8062 -15.7533 -15.5624 -15.5143
-15.4267 -15.3783 -7.0695 -6.9916 -6.7727 -6.7636 -6.6348 -6.6216
-6.4589 -6.4515 -5.9736 -5.9652 -5.5722 -5.5146 -4.8044 -4.7710
-4.5860 -4.5783 -3.4907 -3.4858 -3.3190 -3.3070 -3.2503 -3.2317
-3.2090 -3.1935 -2.7776 -2.7744 -2.7140 -2.7053 -2.5221 -2.5199
-1.1234 -1.1174 1.0259 1.1211 1.3105 1.3396 2.2829 2.3065
3.6439 3.7104
k = 0.2045-0.0006 0.0999 ( 12584 PWs) bands (ev):
-82.9553 -82.9553 -52.9360 -52.9360 -42.2755 -42.2754 -41.9309 -41.9309
-16.6591 -16.6457 -16.0855 -16.0812 -15.8125 -15.7587 -15.5712 -15.5222
-15.4398 -15.3920 -7.0504 -6.9824 -6.7582 -6.7533 -6.6093 -6.5971
-6.4382 -6.4286 -5.9747 -5.9653 -5.4713 -5.4179 -4.8072 -4.7697
-4.5929 -4.5850 -3.4721 -3.4666 -3.3166 -3.3042 -3.2433 -3.2223
-3.2047 -3.1877 -2.7804 -2.7774 -2.7127 -2.7044 -2.5252 -2.5232
-1.1263 -1.1201 0.9871 1.0819 1.2717 1.2991 2.2742 2.2969
3.5740 3.6428
k = 0.1932-0.0006 0.0943 ( 12578 PWs) bands (ev):
-82.9553 -82.9553 -52.9360 -52.9359 -42.2752 -42.2751 -41.9310 -41.9310
-16.6679 -16.6549 -16.0874 -16.0832 -15.8187 -15.7646 -15.5802 -15.5314
-15.4502 -15.4042 -7.0340 -6.9749 -6.7463 -6.7442 -6.5850 -6.5705
-6.4156 -6.4037 -5.9755 -5.9652 -5.3710 -5.3233 -4.8086 -4.7659
-4.5998 -4.5918 -3.4548 -3.4487 -3.3145 -3.3013 -3.2382 -3.2188
-3.1948 -3.1801 -2.7835 -2.7808 -2.7116 -2.7039 -2.5283 -2.5263
-1.1291 -1.1229 0.9504 1.0446 1.2349 1.2607 2.2657 2.2875
3.5037 3.5748
k = 0.1818-0.0005 0.0888 ( 12573 PWs) bands (ev):
-82.9553 -82.9553 -52.9360 -52.9359 -42.2749 -42.2748 -41.9310 -41.9310
-16.6765 -16.6640 -16.0893 -16.0851 -15.8249 -15.7709 -15.5893 -15.5414
-15.4583 -15.4150 -7.0199 -6.9689 -6.7374 -6.7360 -6.5609 -6.5423
-6.3913 -6.3773 -5.9758 -5.9646 -5.2734 -5.2333 -4.8073 -4.7578
-4.6064 -4.5984 -3.4391 -3.4321 -3.3127 -3.2982 -3.2347 -3.2182
-3.1825 -3.1711 -2.7870 -2.7842 -2.7107 -2.7036 -2.5314 -2.5293
-1.1318 -1.1256 0.9161 1.0090 1.2003 1.2243 2.2577 2.2785
3.4334 3.5066
k = 0.1705-0.0005 0.0832 ( 12576 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9359 -42.2746 -42.2745 -41.9311 -41.9310
-16.6850 -16.6730 -16.0912 -16.0870 -15.8310 -15.7777 -15.5981 -15.5519
-15.4645 -15.4245 -7.0080 -6.9641 -6.7308 -6.7290 -6.5362 -6.5135
-6.3659 -6.3501 -5.9755 -5.9635 -5.1823 -5.1513 -4.8012 -4.7432
-4.6121 -4.6044 -3.4252 -3.4172 -3.3109 -3.2948 -3.2323 -3.2181
-3.1702 -3.1615 -2.7907 -2.7877 -2.7100 -2.7035 -2.5345 -2.5322
-1.1345 -1.1282 0.8842 0.9755 1.1681 1.1902 2.2499 2.2698
3.3633 3.4383
k = 0.1591-0.0005 0.0777 ( 12576 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9358 -42.2743 -42.2742 -41.9311 -41.9311
-16.6933 -16.6818 -16.0929 -16.0889 -15.8369 -15.7848 -15.6066 -15.5624
-15.4693 -15.4329 -6.9980 -6.9603 -6.7257 -6.7235 -6.5107 -6.4847
-6.3399 -6.3227 -5.9745 -5.9617 -5.1033 -5.0814 -4.7865 -4.7201
-4.6151 -4.6089 -3.4133 -3.4042 -3.3092 -3.2911 -3.2307 -3.2182
-3.1585 -3.1518 -2.7946 -2.7910 -2.7094 -2.7035 -2.5375 -2.5350
-1.1370 -1.1308 0.8548 0.9439 1.1382 1.1584 2.2426 2.2614
3.2938 3.3703
k = 0.1477-0.0004 0.0721 ( 12568 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9358 -42.2741 -42.2740 -41.9311 -41.9311
-16.7013 -16.6905 -16.0946 -16.0906 -15.8426 -15.7923 -15.6145 -15.5726
-15.4731 -15.4403 -6.9897 -6.9573 -6.7219 -6.7195 -6.4845 -6.4561
-6.3141 -6.2957 -5.9727 -5.9592 -5.0437 -5.0272 -4.7592 -4.6918
-4.6109 -4.6073 -3.4036 -3.3933 -3.3075 -3.2873 -3.2295 -3.2182
-3.1475 -3.1424 -2.7986 -2.7943 -2.7089 -2.7036 -2.5404 -2.5376
-1.1393 -1.1333 0.8281 0.9144 1.1109 1.1292 2.2357 2.2535
3.2252 3.3028
k = 0.1364-0.0004 0.0666 ( 12563 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9358 -42.2738 -42.2737 -41.9311 -41.9311
-16.7090 -16.6988 -16.0961 -16.0923 -15.8479 -15.7999 -15.6216 -15.5824
-15.4761 -15.4467 -6.9828 -6.9550 -6.7189 -6.7165 -6.4580 -6.4281
-6.2887 -6.2697 -5.9700 -5.9558 -5.0060 -4.9913 -4.7226 -4.6741
-4.6001 -4.5762 -3.3961 -3.3846 -3.3057 -3.2835 -3.2286 -3.2180
-3.1376 -3.1336 -2.8025 -2.7974 -2.7084 -2.7037 -2.5431 -2.5401
-1.1416 -1.1357 0.8039 0.8869 1.0861 1.1024 2.2292 2.2460
3.1579 3.2360
k = 0.1250-0.0004 0.0610 ( 12579 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9358 -42.2736 -42.2735 -41.9312 -41.9312
-16.7164 -16.7069 -16.0976 -16.0940 -15.8530 -15.8077 -15.6280 -15.5915
-15.4785 -15.4524 -6.9771 -6.9533 -6.7168 -6.7145 -6.4316 -6.4011
-6.2645 -6.2450 -5.9661 -5.9516 -4.9848 -4.9721 -4.6952 -4.6721
-4.5648 -4.5180 -3.3906 -3.3782 -3.3040 -3.2800 -3.2279 -3.2175
-3.1287 -3.1256 -2.8061 -2.8002 -2.7078 -2.7038 -2.5456 -2.5425
-1.1436 -1.1380 0.7824 0.8614 1.0638 1.0783 2.2232 2.2388
3.0926 3.1704
k = 0.1136-0.0003 0.0555 ( 12576 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9358 -42.2734 -42.2733 -41.9312 -41.9312
-16.7232 -16.7145 -16.0989 -16.0955 -15.8576 -15.8155 -15.6336 -15.6000
-15.4804 -15.4574 -6.9724 -6.9520 -6.7153 -6.7132 -6.4057 -6.3755
-6.2416 -6.2222 -5.9611 -5.9464 -4.9741 -4.9640 -4.6866 -4.6764
-4.5023 -4.4476 -3.3869 -3.3740 -3.3024 -3.2771 -3.2272 -3.2169
-3.1209 -3.1184 -2.8094 -2.8028 -2.7073 -2.7038 -2.5480 -2.5447
-1.1455 -1.1402 0.7636 0.8381 1.0440 1.0567 2.2177 2.2322
3.0298 3.1064
k = 0.1023-0.0003 0.0499 ( 12580 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9358 -42.2732 -42.2731 -41.9312 -41.9312
-16.7296 -16.7216 -16.1001 -16.0969 -15.8617 -15.8232 -15.6383 -15.6078
-15.4819 -15.4618 -6.9685 -6.9511 -6.7143 -6.7123 -6.3807 -6.3515
-6.2205 -6.2017 -5.9549 -5.9405 -4.9698 -4.9621 -4.6878 -4.6829
-4.4276 -4.3735 -3.3849 -3.3719 -3.3009 -3.2750 -3.2265 -3.2160
-3.1142 -3.1122 -2.8122 -2.8051 -2.7066 -2.7036 -2.5501 -2.5467
-1.1472 -1.1423 0.7473 0.8166 1.0266 1.0377 2.2126 2.2260
2.9702 3.0445
k = 0.0909-0.0003 0.0444 ( 12572 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2730 -42.2729 -41.9313 -41.9313
-16.7354 -16.7283 -16.1012 -16.0982 -15.8654 -15.8306 -15.6422 -15.6149
-15.4831 -15.4657 -6.9652 -6.9505 -6.7136 -6.7119 -6.3570 -6.3294
-6.2014 -6.1835 -5.9476 -5.9337 -4.9693 -4.9634 -4.6926 -4.6899
-4.3506 -4.3001 -3.3844 -3.3716 -3.2997 -3.2740 -3.2257 -3.2152
-3.1086 -3.1069 -2.8147 -2.8072 -2.7059 -2.7034 -2.5520 -2.5486
-1.1488 -1.1442 0.7337 0.7972 1.0115 1.0213 2.2081 2.2202
2.9146 2.9855
k = 0.0795-0.0002 0.0388 ( 12577 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2728 -42.2727 -41.9313 -41.9313
-16.7406 -16.7343 -16.1021 -16.0995 -15.8684 -15.8377 -15.6454 -15.6213
-15.4840 -15.4691 -6.9626 -6.9502 -6.7132 -6.7117 -6.3350 -6.3097
-6.1844 -6.1680 -5.9394 -5.9266 -4.9711 -4.9665 -4.6986 -4.6969
-4.2757 -4.2302 -3.3852 -3.3730 -3.2987 -3.2740 -3.2248 -3.2145
-3.1039 -3.1025 -2.8166 -2.8091 -2.7052 -2.7031 -2.5536 -2.5503
-1.1501 -1.1460 0.7225 0.7796 0.9986 1.0072 2.2042 2.2150
2.8638 2.9299
k = 0.0682-0.0002 0.0333 ( 12579 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2726 -42.2726 -41.9313 -41.9313
-16.7451 -16.7397 -16.1029 -16.1006 -15.8708 -15.8443 -15.6478 -15.6270
-15.4846 -15.4721 -6.9603 -6.9501 -6.7129 -6.7116 -6.3150 -6.2925
-6.1697 -6.1550 -5.9308 -5.9192 -4.9742 -4.9703 -4.7050 -4.7036
-4.2056 -4.1655 -3.3871 -3.3759 -3.2978 -3.2750 -3.2237 -3.2140
-3.1000 -3.0989 -2.8181 -2.8108 -2.7044 -2.7027 -2.5549 -2.5518
-1.1512 -1.1476 0.7137 0.7639 0.9878 0.9955 2.2008 2.2103
2.8185 2.8786
k = 0.0568-0.0002 0.0277 ( 12585 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2725 -42.2725 -41.9313 -41.9313
-16.7490 -16.7444 -16.1035 -16.1015 -15.8726 -15.8503 -15.6495 -15.6321
-15.4850 -15.4748 -6.9584 -6.9502 -6.7128 -6.7117 -6.2973 -6.2780
-6.1570 -6.1446 -5.9221 -5.9122 -4.9776 -4.9744 -4.7109 -4.7097
-4.1420 -4.1079 -3.3898 -3.3799 -3.2970 -3.2769 -3.2226 -3.2138
-3.0970 -3.0961 -2.8190 -2.8123 -2.7037 -2.7023 -2.5560 -2.5532
-1.1521 -1.1490 0.7073 0.7500 0.9791 0.9858 2.1981 2.2061
2.7796 2.8323
k = 0.0455-0.0001 0.0222 ( 12585 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2724 -42.2724 -41.9314 -41.9314
-16.7521 -16.7484 -16.1040 -16.1024 -15.8737 -15.8558 -15.6505 -15.6366
-15.4851 -15.4770 -6.9569 -6.9504 -6.7127 -6.7119 -6.2822 -6.2664
-6.1466 -6.1364 -5.9140 -5.9058 -4.9810 -4.9783 -4.7162 -4.7151
-4.0865 -4.0586 -3.3929 -3.3847 -3.2961 -3.2793 -3.2213 -3.2138
-3.0947 -3.0940 -2.8196 -2.8137 -2.7030 -2.7019 -2.5568 -2.5544
-1.1527 -1.1502 0.7030 0.7378 0.9724 0.9780 2.1960 2.2025
2.7479 2.7919
k = 0.0341-0.0001 0.0166 ( 12586 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2723 -42.2723 -41.9314 -41.9314
-16.7545 -16.7517 -16.1043 -16.1031 -15.8740 -15.8606 -15.6509 -15.6404
-15.4850 -15.4790 -6.9555 -6.9508 -6.7127 -6.7121 -6.2698 -6.2578
-6.1381 -6.1305 -5.9068 -5.9005 -4.9838 -4.9817 -4.7205 -4.7196
-4.0406 -4.0192 -3.3961 -3.3897 -3.2950 -3.2820 -3.2201 -3.2142
-3.0930 -3.0924 -2.8197 -2.8150 -2.7024 -2.7016 -2.5573 -2.5554
-1.1532 -1.1513 0.7009 0.7273 0.9675 0.9720 2.1945 2.1995
2.7239 2.7581
k = 0.0227-0.0001 0.0111 ( 12583 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2723 -42.2723 -41.9314 -41.9314
-16.7560 -16.7542 -16.1045 -16.1037 -15.8737 -15.8647 -15.6506 -15.6437
-15.4847 -15.4807 -6.9544 -6.9513 -6.7127 -6.7122 -6.2603 -6.2523
-6.1318 -6.1267 -5.9010 -5.8968 -4.9859 -4.9844 -4.7236 -4.7230
-4.0054 -3.9910 -3.3987 -3.3943 -3.2936 -3.2848 -3.2188 -3.2148
-3.0918 -3.0914 -2.8195 -2.8162 -2.7019 -2.7014 -2.5576 -2.5563
-1.1534 -1.1521 0.7008 0.7185 0.9644 0.9675 2.1937 2.1970
2.7082 2.7316
k = 0.0114-0.0000 0.0055 ( 12590 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7568 -16.7559 -16.1045 -16.1041 -15.8725 -15.8680 -15.6498 -15.6463
-15.4840 -15.4821 -6.9534 -6.9519 -6.7126 -6.7124 -6.2538 -6.2498
-6.1275 -6.1249 -5.8969 -5.8948 -4.9871 -4.9863 -4.7254 -4.7251
-3.9823 -3.9750 -3.4001 -3.3979 -3.2919 -3.2874 -3.2176 -3.2156
-3.0911 -3.0909 -2.8190 -2.8173 -2.7016 -2.7013 -2.5576 -2.5569
-1.1534 -1.1528 0.7025 0.7115 0.9629 0.9645 2.1935 2.1952
2.7011 2.7130
k = 0.0000 0.0000 0.0000 ( 12595 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7567 -16.7567 -16.1044 -16.1044 -15.8707 -15.8707 -15.6483 -15.6483
-15.4832 -15.4832 -6.9526 -6.9526 -6.7125 -6.7125 -6.2503 -6.2503
-6.1252 -6.1252 -5.8949 -5.8949 -4.9872 -4.9872 -4.7260 -4.7260
-3.9720 -3.9720 -3.3999 -3.3999 -3.2898 -3.2898 -3.2166 -3.2166
-3.0908 -3.0908 -2.8183 -2.8183 -2.7014 -2.7014 -2.5574 -2.5574
-1.1532 -1.1532 0.7061 0.7061 0.9629 0.9629 2.1940 2.1940
2.7027 2.7027
k = 0.0000 0.0000 0.0000 ( 12595 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7567 -16.7567 -16.1044 -16.1044 -15.8707 -15.8707 -15.6483 -15.6483
-15.4832 -15.4832 -6.9526 -6.9526 -6.7125 -6.7125 -6.2503 -6.2503
-6.1252 -6.1252 -5.8949 -5.8949 -4.9872 -4.9872 -4.7260 -4.7260
-3.9720 -3.9720 -3.3999 -3.3999 -3.2898 -3.2898 -3.2166 -3.2166
-3.0908 -3.0908 -2.8183 -2.8183 -2.7014 -2.7014 -2.5574 -2.5574
-1.1532 -1.1532 0.7061 0.7061 0.9629 0.9629 2.1940 2.1940
2.7027 2.7027
k = 0.0000 0.0091 0.0091 ( 12595 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7567 -16.7566 -16.1045 -16.1043 -15.8710 -15.8704 -15.6487 -15.6480
-15.4834 -15.4831 -6.9524 -6.9521 -6.7123 -6.7121 -6.2504 -6.2501
-6.1253 -6.1250 -5.8950 -5.8947 -4.9883 -4.9869 -4.7268 -4.7259
-3.9722 -3.9718 -3.4020 -3.3979 -3.2926 -3.2876 -3.2192 -3.2146
-3.0910 -3.0905 -2.8184 -2.8181 -2.7015 -2.7012 -2.5575 -2.5569
-1.1537 -1.1523 0.7053 0.7065 0.9618 0.9637 2.1939 2.1960
2.7028 2.7038
k = 0.0000 0.0182 0.0181 ( 12599 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7567 -16.7565 -16.1045 -16.1042 -15.8715 -15.8701 -15.6491 -15.6478
-15.4836 -15.4830 -6.9515 -6.9509 -6.7116 -6.7111 -6.2505 -6.2498
-6.1255 -6.1248 -5.8952 -5.8945 -4.9902 -4.9873 -4.7284 -4.7265
-3.9723 -3.9715 -3.4041 -3.3961 -3.2958 -3.2860 -3.2226 -3.2135
-3.0911 -3.0902 -2.8186 -2.8180 -2.7015 -2.7011 -2.5573 -2.5560
-1.1540 -1.1512 0.7042 0.7064 0.9602 0.9642 2.1957 2.1998
2.7038 2.7058
k = 0.0000 0.0272 0.0272 ( 12597 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7565 -16.7562 -16.1045 -16.1040 -15.8719 -15.8700 -15.6495 -15.6476
-15.4839 -15.4830 -6.9500 -6.9490 -6.7102 -6.7095 -6.2504 -6.2495
-6.1256 -6.1246 -5.8953 -5.8943 -4.9928 -4.9885 -4.7307 -4.7279
-3.9723 -3.9711 -3.4063 -3.3943 -3.2995 -3.2849 -3.2267 -3.2131
-3.0913 -3.0899 -2.8189 -2.8180 -2.7016 -2.7009 -2.5567 -2.5548
-1.1539 -1.1498 0.7026 0.7059 0.9584 0.9642 2.1993 2.2055
2.7059 2.7089
k = 0.0000 0.0363 0.0362 ( 12591 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7563 -16.7559 -16.1044 -16.1038 -15.8725 -15.8699 -15.6500 -15.6474
-15.4842 -15.4831 -6.9477 -6.9465 -6.7083 -6.7074 -6.2503 -6.2491
-6.1258 -6.1245 -5.8954 -5.8940 -4.9961 -4.9904 -4.7337 -4.7301
-3.9723 -3.9707 -3.4085 -3.3927 -3.3037 -3.2844 -3.2314 -3.2134
-3.0913 -3.0895 -2.8191 -2.8180 -2.7016 -2.7008 -2.5557 -2.5533
-1.1536 -1.1481 0.7006 0.7050 0.9562 0.9638 2.2048 2.2128
2.7089 2.7128
k = 0.0000 0.0454 0.0453 ( 12579 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7560 -16.7556 -16.1044 -16.1036 -15.8730 -15.8698 -15.6505 -15.6474
-15.4846 -15.4832 -6.9449 -6.9434 -6.7059 -6.7047 -6.2501 -6.2486
-6.1259 -6.1243 -5.8954 -5.8938 -5.0001 -4.9932 -4.7374 -4.7330
-3.9722 -3.9703 -3.4108 -3.3913 -3.3081 -3.2844 -3.2366 -3.2145
-3.0913 -3.0892 -2.8194 -2.8181 -2.7015 -2.7006 -2.5544 -2.5515
-1.1529 -1.1463 0.6983 0.7036 0.9538 0.9630 2.2120 2.2218
2.7128 2.7176
k = 0.0000 0.0545 0.0543 ( 12577 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7556 -16.7551 -16.1042 -16.1034 -15.8736 -15.8699 -15.6510 -15.6474
-15.4850 -15.4834 -6.9414 -6.9397 -6.7030 -6.7016 -6.2499 -6.2481
-6.1260 -6.1241 -5.8954 -5.8935 -5.0047 -4.9966 -4.7417 -4.7366
-3.9720 -3.9698 -3.4131 -3.3901 -3.3128 -3.2850 -3.2423 -3.2162
-3.0913 -3.0888 -2.8197 -2.8182 -2.7015 -2.7004 -2.5528 -2.5494
-1.1520 -1.1443 0.6958 0.7019 0.9511 0.9619 2.2209 2.2323
2.7175 2.7232
k = 0.0000 0.0635 0.0634 ( 12569 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7552 -16.7546 -16.1041 -16.1031 -15.8742 -15.8700 -15.6515 -15.6474
-15.4855 -15.4837 -6.9374 -6.9354 -6.6995 -6.6980 -6.2495 -6.2475
-6.1260 -6.1239 -5.8954 -5.8932 -5.0099 -5.0007 -4.7467 -4.7409
-3.9718 -3.9692 -3.4154 -3.3890 -3.3177 -3.2860 -3.2484 -3.2186
-3.0912 -3.0885 -2.8201 -2.8184 -2.7014 -2.7002 -2.5509 -2.5471
-1.1509 -1.1422 0.6929 0.6999 0.9482 0.9604 2.2314 2.2442
2.7229 2.7293
k = 0.0000 0.0726 0.0724 ( 12569 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7547 -16.7541 -16.1039 -16.1028 -15.8749 -15.8702 -15.6521 -15.6475
-15.4860 -15.4840 -6.9328 -6.9306 -6.6957 -6.6940 -6.2491 -6.2468
-6.1261 -6.1237 -5.8954 -5.8929 -5.0156 -5.0055 -4.7522 -4.7458
-3.9715 -3.9687 -3.4177 -3.3883 -3.3226 -3.2874 -3.2547 -3.2215
-3.0910 -3.0882 -2.8204 -2.8187 -2.7012 -2.7000 -2.5487 -2.5446
-1.1496 -1.1400 0.6899 0.6975 0.9452 0.9586 2.2433 2.2573
2.7288 2.7360
k = 0.0000 0.0817 0.0815 ( 12566 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7541 -16.7535 -16.1037 -16.1025 -15.8755 -15.8705 -15.6526 -15.6477
-15.4865 -15.4843 -6.9278 -6.9255 -6.6915 -6.6896 -6.2486 -6.2461
-6.1261 -6.1234 -5.8952 -5.8926 -5.0219 -5.0109 -4.7582 -4.7513
-3.9712 -3.9681 -3.4199 -3.3878 -3.3274 -3.2892 -3.2612 -3.2249
-3.0908 -3.0880 -2.8208 -2.8190 -2.7010 -2.6998 -2.5463 -2.5419
-1.1481 -1.1379 0.6867 0.6949 0.9421 0.9565 2.2565 2.2716
2.7352 2.7430
k = 0.0000 0.0908 0.0905 ( 12562 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7535 -16.7528 -16.1035 -16.1022 -15.8761 -15.8708 -15.6531 -15.6479
-15.4870 -15.4847 -6.9224 -6.9199 -6.6870 -6.6850 -6.2480 -6.2453
-6.1260 -6.1232 -5.8951 -5.8922 -5.0285 -5.0169 -4.7646 -4.7574
-3.9708 -3.9675 -3.4220 -3.3877 -3.3320 -3.2913 -3.2678 -3.2288
-3.0906 -3.0877 -2.8212 -2.8194 -2.7008 -2.6996 -2.5437 -2.5392
-1.1466 -1.1357 0.6834 0.6920 0.9390 0.9541 2.2709 2.2868
2.7419 2.7502
k = 0.0000 0.0998 0.0996 ( 12567 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7529 -16.7522 -16.1033 -16.1019 -15.8768 -15.8712 -15.6536 -15.6482
-15.4876 -15.4851 -6.9167 -6.9140 -6.6822 -6.6801 -6.2474 -6.2445
-6.1260 -6.1230 -5.8948 -5.8918 -5.0355 -5.0233 -4.7714 -4.7639
-3.9704 -3.9669 -3.4241 -3.3881 -3.3363 -3.2936 -3.2743 -3.2330
-3.0904 -3.0875 -2.8216 -2.8198 -2.7006 -2.6994 -2.5410 -2.5364
-1.1449 -1.1336 0.6800 0.6889 0.9358 0.9514 2.2863 2.3027
2.7489 2.7576
k = 0.0000 0.1089 0.1086 ( 12554 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7522 -16.7515 -16.1030 -16.1016 -15.8774 -15.8717 -15.6541 -15.6485
-15.4881 -15.4856 -6.9107 -6.9079 -6.6772 -6.6751 -6.2467 -6.2437
-6.1258 -6.1227 -5.8945 -5.8913 -5.0427 -5.0302 -4.7785 -4.7708
-3.9699 -3.9663 -3.4261 -3.3890 -3.3401 -3.2962 -3.2807 -3.2374
-3.0902 -3.0873 -2.8221 -2.8203 -2.7004 -2.6992 -2.5381 -2.5335
-1.1432 -1.1317 0.6767 0.6857 0.9327 0.9486 2.3024 2.3191
2.7559 2.7649
k = 0.0000 0.1180 0.1177 ( 12545 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7515 -16.7508 -16.1027 -16.1013 -15.8780 -15.8722 -15.6546 -15.6489
-15.4886 -15.4861 -6.9045 -6.9017 -6.6721 -6.6699 -6.2459 -6.2428
-6.1257 -6.1225 -5.8941 -5.8909 -5.0501 -5.0374 -4.7858 -4.7780
-3.9694 -3.9657 -3.4279 -3.3904 -3.3433 -3.2991 -3.2867 -3.2420
-3.0899 -3.0872 -2.8225 -2.8208 -2.7001 -2.6990 -2.5352 -2.5306
-1.1415 -1.1299 0.6733 0.6824 0.9296 0.9457 2.3191 2.3359
2.7630 2.7721
k = 0.0000 0.1271 0.1268 ( 12535 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7509 -16.7501 -16.1024 -16.1010 -15.8785 -15.8728 -15.6550 -15.6493
-15.4891 -15.4866 -6.8982 -6.8954 -6.6669 -6.6647 -6.2451 -6.2419
-6.1255 -6.1222 -5.8937 -5.8904 -5.0575 -5.0448 -4.7932 -4.7855
-3.9688 -3.9651 -3.4296 -3.3924 -3.3459 -3.3022 -3.2921 -3.2468
-3.0897 -3.0870 -2.8230 -2.8213 -2.6999 -2.6988 -2.5323 -2.5278
-1.1398 -1.1282 0.6700 0.6791 0.9267 0.9426 2.3361 2.3528
2.7700 2.7792
k = 0.0000 0.1361 0.1358 ( 12535 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7502 -16.7494 -16.1021 -16.1007 -15.8791 -15.8734 -15.6554 -15.6497
-15.4896 -15.4871 -6.8918 -6.8891 -6.6618 -6.6596 -6.2442 -6.2411
-6.1252 -6.1220 -5.8932 -5.8899 -5.0650 -5.0524 -4.8006 -4.7931
-3.9683 -3.9646 -3.4311 -3.3949 -3.3480 -3.3060 -3.2967 -3.2516
-3.0894 -3.0869 -2.8234 -2.8218 -2.6996 -2.6987 -2.5294 -2.5251
-1.1381 -1.1267 0.6669 0.6757 0.9238 0.9395 2.3533 2.3696
2.7768 2.7859
k = 0.0000 0.1452 0.1449 ( 12531 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7495 -16.7488 -16.1018 -16.1004 -15.8795 -15.8740 -15.6557 -15.6502
-15.4901 -15.4876 -6.8856 -6.8829 -6.6567 -6.6546 -6.2433 -6.2402
-6.1249 -6.1217 -5.8926 -5.8893 -5.0723 -5.0601 -4.8080 -4.8007
-3.9677 -3.9641 -3.4324 -3.3979 -3.3494 -3.3103 -3.3001 -3.2564
-3.0892 -3.0868 -2.8239 -2.8224 -2.6993 -2.6985 -2.5266 -2.5225
-1.1365 -1.1255 0.6639 0.6724 0.9212 0.9363 2.3703 2.3860
2.7834 2.7923
k = 0.0000 0.1543 0.1539 ( 12527 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7488 -16.7481 -16.1015 -16.1002 -15.8800 -15.8747 -15.6559 -15.6507
-15.4905 -15.4882 -6.8795 -6.8769 -6.6518 -6.6497 -6.2423 -6.2393
-6.1246 -6.1215 -5.8920 -5.8888 -5.0794 -5.0676 -4.8151 -4.8082
-3.9671 -3.9636 -3.4335 -3.4011 -3.3505 -3.3149 -3.3026 -3.2612
-3.0889 -3.0868 -2.8243 -2.8230 -2.6991 -2.6983 -2.5239 -2.5200
-1.1349 -1.1244 0.6611 0.6692 0.9188 0.9332 2.3869 2.4019
2.7897 2.7982
k = 0.0000 0.1634 0.1630 ( 12528 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7482 -16.7475 -16.1012 -16.1000 -15.8803 -15.8753 -15.6562 -15.6512
-15.4909 -15.4887 -6.8736 -6.8712 -6.6471 -6.6451 -6.2414 -6.2385
-6.1242 -6.1212 -5.8913 -5.8883 -5.0861 -5.0750 -4.8220 -4.8155
-3.9666 -3.9632 -3.4344 -3.4045 -3.3511 -3.3195 -3.3045 -3.2659
-3.0887 -3.0867 -2.8247 -2.8235 -2.6989 -2.6981 -2.5213 -2.5177
-1.1335 -1.1236 0.6585 0.6661 0.9166 0.9301 2.4030 2.4171
2.7957 2.8037
k = 0.0000 0.1724 0.1720 ( 12530 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7476 -16.7470 -16.1009 -16.0998 -15.8806 -15.8760 -15.6563 -15.6517
-15.4913 -15.4892 -6.8681 -6.8659 -6.6427 -6.6408 -6.2405 -6.2378
-6.1238 -6.1210 -5.8907 -5.8878 -5.0924 -5.0821 -4.8284 -4.8224
-3.9660 -3.9629 -3.4350 -3.4080 -3.3515 -3.3240 -3.3058 -3.2704
-3.0884 -3.0867 -2.8251 -2.8240 -2.6986 -2.6980 -2.5189 -2.5156
-1.1321 -1.1229 0.6561 0.6632 0.9147 0.9271 2.4182 2.4312
2.8012 2.8086
k = 0.0000 0.1815 0.1811 ( 12529 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7470 -16.7465 -16.1007 -16.0996 -15.8809 -15.8767 -15.6564 -15.6523
-15.4916 -15.4897 -6.8630 -6.8609 -6.6386 -6.6369 -6.2396 -6.2371
-6.1234 -6.1208 -5.8899 -5.8873 -5.0981 -5.0888 -4.8344 -4.8289
-3.9654 -3.9626 -3.4354 -3.4114 -3.3517 -3.3281 -3.3065 -3.2748
-3.0882 -3.0867 -2.8255 -2.8245 -2.6984 -2.6978 -2.5167 -2.5138
-1.1307 -1.1225 0.6541 0.6604 0.9131 0.9243 2.4324 2.4441
2.8063 2.8130
k = 0.0000 0.1906 0.1901 ( 12524 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7465 -16.7460 -16.1004 -16.0994 -15.8810 -15.8773 -15.6564 -15.6528
-15.4918 -15.4901 -6.8584 -6.8565 -6.6349 -6.6335 -6.2387 -6.2365
-6.1230 -6.1207 -5.8892 -5.8869 -5.1032 -5.0950 -4.8397 -4.8349
-3.9649 -3.9624 -3.4355 -3.4147 -3.3517 -3.3319 -3.3068 -3.2790
-3.0880 -3.0867 -2.8258 -2.8250 -2.6982 -2.6977 -2.5147 -2.5121
-1.1295 -1.1223 0.6523 0.6579 0.9118 0.9217 2.4453 2.4556
2.8109 2.8168
k = 0.0000 0.1997 0.1992 ( 12536 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7460 -16.7456 -16.1002 -16.0993 -15.8811 -15.8779 -15.6564 -15.6533
-15.4920 -15.4906 -6.8543 -6.8527 -6.6317 -6.6305 -6.2379 -6.2360
-6.1226 -6.1206 -5.8886 -5.8865 -5.1076 -5.1005 -4.8443 -4.8402
-3.9644 -3.9623 -3.4354 -3.4179 -3.3515 -3.3354 -3.3065 -3.2830
-3.0878 -3.0867 -2.8261 -2.8254 -2.6980 -2.6976 -2.5129 -2.5108
-1.1284 -1.1222 0.6509 0.6556 0.9108 0.9192 2.4568 2.4655
2.8149 2.8199
k = 0.0000 0.2087 0.2082 ( 12538 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7457 -16.7453 -16.0999 -16.0993 -15.8811 -15.8785 -15.6563 -15.6538
-15.4921 -15.4910 -6.8508 -6.8495 -6.6290 -6.6280 -6.2372 -6.2356
-6.1222 -6.1205 -5.8879 -5.8862 -5.1111 -5.1053 -4.8481 -4.8448
-3.9639 -3.9622 -3.4349 -3.4208 -3.3511 -3.3384 -3.3059 -3.2867
-3.0876 -3.0867 -2.8263 -2.8257 -2.6979 -2.6975 -2.5114 -2.5097
-1.1273 -1.1223 0.6498 0.6537 0.9102 0.9170 2.4666 2.4737
2.8183 2.8224
k = 0.0000 0.2178 0.2173 ( 12534 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7453 -16.7451 -16.0997 -16.0992 -15.8810 -15.8791 -15.6562 -15.6542
-15.4922 -15.4913 -6.8480 -6.8470 -6.6268 -6.6260 -6.2366 -6.2353
-6.1218 -6.1205 -5.8874 -5.8861 -5.1138 -5.1094 -4.8511 -4.8486
-3.9635 -3.9622 -3.4342 -3.4236 -3.3505 -3.3412 -3.3047 -3.2902
-3.0875 -3.0868 -2.8264 -2.8260 -2.6977 -2.6975 -2.5102 -2.5088
-1.1264 -1.1225 0.6490 0.6520 0.9099 0.9151 2.4746 2.4800
2.8212 2.8243
k = 0.0000 0.2269 0.2263 ( 12542 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7451 -16.7449 -16.0996 -16.0992 -15.8809 -15.8796 -15.6560 -15.6547
-15.4922 -15.4916 -6.8459 -6.8453 -6.6252 -6.6247 -6.2361 -6.2352
-6.1215 -6.1206 -5.8869 -5.8860 -5.1155 -5.1125 -4.8531 -4.8514
-3.9631 -3.9622 -3.4331 -3.4261 -3.3497 -3.3435 -3.3032 -3.2935
-3.0873 -3.0868 -2.8265 -2.8263 -2.6976 -2.6974 -2.5092 -2.5083
-1.1255 -1.1229 0.6486 0.6506 0.9099 0.9134 2.4806 2.4843
2.8234 2.8255
k = 0.0000 0.2360 0.2354 ( 12540 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7449 -16.7448 -16.0994 -16.0992 -15.8807 -15.8800 -15.6557 -15.6551
-15.4921 -15.4918 -6.8446 -6.8443 -6.6242 -6.6239 -6.2357 -6.2352
-6.1212 -6.1207 -5.8865 -5.8861 -5.1162 -5.1147 -4.8542 -4.8533
-3.9628 -3.9624 -3.4318 -3.4283 -3.3486 -3.3455 -3.3013 -3.2964
-3.0872 -3.0869 -2.8266 -2.8264 -2.6975 -2.6974 -2.5085 -2.5081
-1.1247 -1.1234 0.6486 0.6496 0.9103 0.9120 2.4847 2.4865
2.8249 2.8260
k = 0.0000 0.2450 0.2444 ( 12534 PWs) bands (ev):
-82.9552 -82.9552 -52.9357 -52.9357 -42.2722 -42.2722 -41.9313 -41.9313
-16.7448 -16.7448 -16.0993 -16.0993 -15.8804 -15.8804 -15.6554 -15.6554
-15.4920 -15.4920 -6.8441 -6.8441 -6.6237 -6.6237 -6.2354 -6.2354
-6.1209 -6.1209 -5.8862 -5.8862 -5.1160 -5.1160 -4.8542 -4.8542
-3.9626 -3.9626 -3.4302 -3.4302 -3.3472 -3.3472 -3.2990 -3.2990
-3.0870 -3.0870 -2.8265 -2.8265 -2.6975 -2.6975 -2.5082 -2.5082
-1.1240 -1.1240 0.6489 0.6489 0.9110 0.9110 2.4867 2.4867
2.8258 2.8258
k = 0.5000 0.2436 0.2437 ( 12576 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2813 -42.2813 -41.9301 -41.9301
-16.5058 -16.5058 -16.0427 -16.0427 -15.7240 -15.7240 -15.4696 -15.4696
-14.9523 -14.9523 -7.8085 -7.8085 -7.1671 -7.1671 -7.0681 -7.0681
-6.5553 -6.5553 -6.4676 -6.4676 -5.9132 -5.9132 -4.8044 -4.8044
-4.5852 -4.5852 -3.8216 -3.8216 -3.5030 -3.5030 -3.3236 -3.3236
-3.2473 -3.2473 -2.8487 -2.8487 -2.7947 -2.7947 -2.4474 -2.4474
-1.0612 -1.0612 1.9230 1.9230 2.1577 2.1577 2.6516 2.6516
4.8986 4.8986
k = 0.4896 0.2385 0.2386 ( 12582 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2813 -42.2813 -41.9302 -41.9302
-16.5064 -16.5055 -16.0429 -16.0427 -15.7250 -15.7231 -15.4702 -15.4691
-14.9539 -14.9529 -7.8094 -7.8027 -7.1705 -7.1617 -7.0681 -7.0666
-6.5555 -6.5548 -6.4680 -6.4670 -5.9135 -5.9132 -4.8049 -4.8039
-4.5856 -4.5847 -3.8211 -3.8210 -3.5029 -3.5022 -3.3243 -3.3229
-3.2481 -3.2466 -2.8487 -2.8482 -2.7947 -2.7941 -2.4477 -2.4474
-1.0615 -1.0612 1.9182 1.9241 2.1539 2.1584 2.6485 2.6530
4.8963 4.8982
k = 0.4792 0.2334 0.2335 ( 12573 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2813 -42.2813 -41.9302 -41.9302
-16.5075 -16.5056 -16.0432 -16.0428 -15.7262 -15.7224 -15.4710 -15.4687
-14.9577 -14.9556 -7.8056 -7.7921 -7.1719 -7.1545 -7.0665 -7.0635
-6.5556 -6.5541 -6.4682 -6.4662 -5.9139 -5.9134 -4.8054 -4.8033
-4.5860 -4.5843 -3.8195 -3.8191 -3.5020 -3.5005 -3.3249 -3.3223
-3.2487 -3.2459 -2.8482 -2.8472 -2.7943 -2.7930 -2.4481 -2.4475
-1.0618 -1.0613 1.9098 1.9217 2.1469 2.1559 2.6437 2.6527
4.8912 4.8950
k = 0.4688 0.2283 0.2284 ( 12580 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2813 -42.2813 -41.9302 -41.9302
-16.5089 -16.5062 -16.0436 -16.0430 -15.7276 -15.7219 -15.4719 -15.4686
-14.9635 -14.9604 -7.7972 -7.7768 -7.1715 -7.1452 -7.0633 -7.0588
-6.5554 -6.5532 -6.4681 -6.4651 -5.9146 -5.9138 -4.8058 -4.8027
-4.5863 -4.5839 -3.8167 -3.8161 -3.5001 -3.4979 -3.3256 -3.3217
-3.2494 -3.2451 -2.8473 -2.8457 -2.7934 -2.7915 -2.4488 -2.4479
-1.0624 -1.0616 1.8979 1.9156 2.1369 2.1503 2.6374 2.6506
4.8833 4.8889
k = 0.4583 0.2233 0.2234 ( 12587 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2812 -42.2812 -41.9302 -41.9302
-16.5108 -16.5071 -16.0442 -16.0434 -15.7291 -15.7215 -15.4730 -15.4685
-14.9714 -14.9672 -7.7843 -7.7567 -7.1693 -7.1339 -7.0586 -7.0525
-6.5550 -6.5520 -6.4678 -6.4637 -5.9155 -5.9145 -4.8063 -4.8021
-4.5867 -4.5834 -3.8128 -3.8120 -3.4973 -3.4944 -3.3263 -3.3211
-3.2500 -3.2443 -2.8458 -2.8438 -2.7919 -2.7894 -2.4497 -2.4485
-1.0632 -1.0621 1.8825 1.9060 2.1238 2.1414 2.6296 2.6470
4.8725 4.8800
k = 0.4479 0.2182 0.2183 ( 12586 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2811 -42.2811 -41.9302 -41.9302
-16.5130 -16.5085 -16.0449 -16.0439 -15.7308 -15.7213 -15.4743 -15.4686
-14.9814 -14.9760 -7.7671 -7.7320 -7.1653 -7.1206 -7.0523 -7.0446
-6.5544 -6.5506 -6.4670 -6.4619 -5.9167 -5.9153 -4.8067 -4.8016
-4.5870 -4.5830 -3.8077 -3.8067 -3.4937 -3.4901 -3.3270 -3.3206
-3.2506 -3.2435 -2.8439 -2.8414 -2.7901 -2.7870 -2.4507 -2.4493
-1.0641 -1.0627 1.8637 1.8930 2.1078 2.1294 2.6206 2.6418
4.8589 4.8681
k = 0.4375 0.2131 0.2132 ( 12586 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9365 -42.2810 -42.2810 -41.9302 -41.9302
-16.5156 -16.5102 -16.0457 -16.0445 -15.7327 -15.7212 -15.4757 -15.4688
-14.9932 -14.9867 -7.7460 -7.7030 -7.1595 -7.1053 -7.0446 -7.0351
-6.5534 -6.5490 -6.4658 -6.4595 -5.9180 -5.9164 -4.8071 -4.8010
-4.5873 -4.5826 -3.8016 -3.8004 -3.4892 -3.4849 -3.3277 -3.3200
-3.2511 -3.2427 -2.8416 -2.8386 -2.7878 -2.7840 -2.4520 -2.4503
-1.0652 -1.0635 1.8417 1.8766 2.0888 2.1142 2.6104 2.6351
4.8422 4.8531
k = 0.4271 0.2080 0.2081 ( 12591 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9365 -42.2809 -42.2809 -41.9302 -41.9302
-16.5186 -16.5124 -16.0466 -16.0452 -15.7347 -15.7213 -15.4773 -15.4692
-15.0069 -14.9991 -7.7212 -7.6698 -7.1519 -7.0881 -7.0354 -7.0241
-6.5522 -6.5471 -6.4638 -6.4563 -5.9195 -5.9176 -4.8075 -4.8004
-4.5876 -4.5822 -3.7943 -3.7929 -3.4839 -3.4788 -3.3283 -3.3196
-3.2515 -3.2419 -2.8389 -2.8355 -2.7851 -2.7807 -2.4535 -2.4514
-1.0664 -1.0645 1.8166 1.8570 2.0669 2.0958 2.5992 2.6272
4.8224 4.8351
k = 0.4167 0.2030 0.2031 ( 12589 PWs) bands (ev):
-82.9553 -82.9553 -52.9365 -52.9364 -42.2808 -42.2807 -41.9303 -41.9303
-16.5220 -16.5149 -16.0477 -16.0460 -15.7369 -15.7215 -15.4791 -15.4697
-15.0223 -15.0132 -7.6931 -7.6329 -7.1427 -7.0691 -7.0248 -7.0115
-6.5507 -6.5449 -6.4608 -6.4521 -5.9213 -5.9190 -4.8079 -4.7998
-4.5879 -4.5818 -3.7860 -3.7843 -3.4778 -3.4719 -3.3289 -3.3191
-3.2519 -3.2411 -2.8359 -2.8320 -2.7820 -2.7771 -2.4551 -2.4528
-1.0678 -1.0656 1.7886 1.8343 2.0423 2.0743 2.5873 2.6181
4.7994 4.8138
k = 0.4062 0.1979 0.1980 ( 12585 PWs) bands (ev):
-82.9552 -82.9552 -52.9365 -52.9364 -42.2806 -42.2805 -41.9303 -41.9303
-16.5257 -16.5179 -16.0488 -16.0470 -15.7393 -15.7219 -15.4810 -15.4703
-15.0393 -15.0288 -7.6620 -7.5927 -7.1318 -7.0484 -7.0128 -6.9974
-6.5490 -6.5426 -6.4564 -6.4464 -5.9232 -5.9206 -4.8083 -4.7992
-4.5883 -4.5815 -3.7766 -3.7747 -3.4709 -3.4642 -3.3295 -3.3186
-3.2522 -3.2403 -2.8326 -2.8282 -2.7786 -2.7731 -2.4569 -2.4544
-1.0694 -1.0669 1.7579 1.8087 2.0151 2.0498 2.5748 2.6080
4.7731 4.7892
k = 0.3958 0.1928 0.1929 ( 12583 PWs) bands (ev):
-82.9552 -82.9552 -52.9364 -52.9364 -42.2804 -42.2804 -41.9303 -41.9303
-16.5298 -16.5212 -16.0501 -16.0481 -15.7418 -15.7224 -15.4831 -15.4711
-15.0577 -15.0457 -7.6286 -7.5495 -7.1192 -7.0262 -6.9996 -6.9817
-6.5470 -6.5402 -6.4503 -6.4389 -5.9252 -5.9223 -4.8087 -4.7987
-4.5886 -4.5812 -3.7662 -3.7641 -3.4633 -3.4558 -3.3300 -3.3182
-3.2524 -3.2394 -2.8291 -2.8242 -2.7749 -2.7688 -2.4590 -2.4562
-1.0711 -1.0683 1.7248 1.7804 1.9854 2.0224 2.5618 2.5970
4.7434 4.7612
k = 0.3854 0.1877 0.1878 ( 12581 PWs) bands (ev):
-82.9552 -82.9552 -52.9364 -52.9364 -42.2802 -42.2802 -41.9303 -41.9303
-16.5343 -16.5250 -16.0514 -16.0493 -15.7445 -15.7231 -15.4854 -15.4720
-15.0774 -15.0638 -7.5931 -7.5039 -7.1051 -7.0030 -6.9850 -6.9644
-6.5450 -6.5378 -6.4417 -6.4288 -5.9274 -5.9242 -4.8091 -4.7982
-4.5890 -4.5811 -3.7548 -3.7524 -3.4549 -3.4466 -3.3304 -3.3178
-3.2525 -3.2386 -2.8253 -2.8201 -2.7710 -2.7644 -2.4611 -2.4581
-1.0730 -1.0699 1.6893 1.7496 1.9534 1.9923 2.5485 2.5853
4.7102 4.7297
k = 0.3750 0.1827 0.1827 ( 12584 PWs) bands (ev):
-82.9552 -82.9552 -52.9364 -52.9364 -42.2801 -42.2800 -41.9303 -41.9303
-16.5392 -16.5291 -16.0529 -16.0505 -15.7474 -15.7239 -15.4879 -15.4730
-15.0983 -15.0829 -7.5561 -7.4567 -7.0893 -6.9795 -6.9692 -6.9456
-6.5429 -6.5355 -6.4302 -6.4155 -5.9298 -5.9262 -4.8096 -4.7977
-4.5894 -4.5810 -3.7425 -3.7398 -3.4459 -3.4367 -3.3306 -3.3174
-3.2525 -3.2377 -2.8215 -2.8159 -2.7668 -2.7597 -2.4635 -2.4603
-1.0750 -1.0716 1.6519 1.7166 1.9192 1.9596 2.5350 2.5729
4.6735 4.6947
k = 0.3646 0.1776 0.1777 ( 12585 PWs) bands (ev):
-82.9552 -82.9552 -52.9364 -52.9363 -42.2798 -42.2797 -41.9304 -41.9304
-16.5443 -16.5336 -16.0545 -16.0519 -15.7505 -15.7249 -15.4906 -15.4741
-15.1201 -15.1029 -7.5180 -7.4084 -7.0721 -6.9569 -6.9512 -6.9253
-6.5408 -6.5334 -6.4150 -6.3981 -5.9323 -5.9283 -4.8101 -4.7973
-4.5898 -4.5810 -3.7293 -3.7263 -3.4363 -3.4262 -3.3308 -3.3170
-3.2523 -3.2367 -2.8175 -2.8116 -2.7626 -2.7550 -2.4660 -2.4626
-1.0772 -1.0735 1.6127 1.6816 1.8831 1.9246 2.5213 2.5601
4.6331 4.6562
k = 0.3542 0.1725 0.1726 ( 12587 PWs) bands (ev):
-82.9553 -82.9553 -52.9364 -52.9363 -42.2796 -42.2795 -41.9304 -41.9304
-16.5499 -16.5385 -16.0561 -16.0534 -15.7538 -15.7260 -15.4936 -15.4754
-15.1428 -15.1236 -7.4793 -7.3600 -7.0533 -6.9374 -6.9297 -6.9038
-6.5388 -6.5315 -6.3955 -6.3757 -5.9348 -5.9304 -4.8106 -4.7970
-4.5904 -4.5811 -3.7152 -3.7120 -3.4261 -3.4151 -3.3308 -3.3165
-3.2520 -3.2357 -2.8136 -2.8074 -2.7582 -2.7502 -2.4687 -2.4650
-1.0795 -1.0754 1.5720 1.6448 1.8452 1.8875 2.5076 2.5468
4.5892 4.6141
k = 0.3438 0.1675 0.1675 ( 12586 PWs) bands (ev):
-82.9553 -82.9553 -52.9364 -52.9363 -42.2794 -42.2793 -41.9304 -41.9304
-16.5557 -16.5438 -16.0578 -16.0549 -15.7572 -15.7273 -15.4967 -15.4768
-15.1660 -15.1448 -7.4404 -7.3122 -7.0331 -6.9190 -6.9070 -6.8814
-6.5368 -6.5298 -6.3710 -6.3474 -5.9375 -5.9326 -4.8113 -4.7968
-4.5910 -4.5814 -3.7004 -3.6968 -3.4155 -3.4035 -3.3306 -3.3161
-3.2516 -3.2347 -2.8097 -2.8032 -2.7539 -2.7454 -2.4715 -2.4677
-1.0819 -1.0775 1.5301 1.6065 1.8060 1.8487 2.4937 2.5332
4.5418 4.5686
k = 0.3333 0.1624 0.1624 ( 12588 PWs) bands (ev):
-82.9553 -82.9553 -52.9363 -52.9363 -42.2791 -42.2790 -41.9305 -41.9305
-16.5619 -16.5494 -16.0596 -16.0565 -15.7608 -15.7287 -15.5001 -15.4783
-15.1897 -15.1662 -7.4016 -7.2659 -7.0116 -6.9007 -6.8845 -6.8589
-6.5349 -6.5282 -6.3409 -6.3125 -5.9402 -5.9347 -4.8120 -4.7966
-4.5918 -4.5819 -3.6848 -3.6809 -3.4046 -3.3914 -3.3300 -3.3155
-3.2510 -3.2336 -2.8060 -2.7993 -2.7495 -2.7406 -2.4744 -2.4705
-1.0845 -1.0797 1.4872 1.5670 1.7654 1.8083 2.4799 2.5194
4.4908 4.5196
k = 0.3229 0.1573 0.1574 ( 12586 PWs) bands (ev):
-82.9553 -82.9553 -52.9363 -52.9362 -42.2789 -42.2788 -41.9305 -41.9305
-16.5683 -16.5554 -16.0614 -16.0582 -15.7645 -15.7303 -15.5038 -15.4799
-15.2137 -15.1879 -7.3634 -7.2219 -6.9888 -6.8824 -6.8623 -6.8367
-6.5330 -6.5265 -6.3045 -6.2706 -5.9429 -5.9368 -4.8128 -4.7965
-4.5927 -4.5825 -3.6685 -3.6643 -3.3936 -3.3791 -3.3291 -3.3149
-3.2502 -3.2324 -2.8025 -2.7956 -2.7452 -2.7360 -2.4774 -2.4734
-1.0871 -1.0821 1.4437 1.5265 1.7240 1.7667 2.4661 2.5053
4.4366 4.4674
k = 0.3125 0.1522 0.1523 ( 12585 PWs) bands (ev):
-82.9553 -82.9553 -52.9363 -52.9362 -42.2786 -42.2785 -41.9305 -41.9305
-16.5751 -16.5618 -16.0633 -16.0600 -15.7685 -15.7320 -15.5078 -15.4817
-15.2377 -15.2094 -7.3259 -7.1808 -6.9649 -6.8646 -6.8403 -6.8150
-6.5308 -6.5247 -6.2615 -6.2217 -5.9455 -5.9387 -4.8137 -4.7965
-4.5937 -4.5833 -3.6517 -3.6472 -3.3825 -3.3666 -3.3275 -3.3141
-3.2493 -3.2311 -2.7992 -2.7922 -2.7410 -2.7316 -2.4806 -2.4765
-1.0899 -1.0845 1.3997 1.4853 1.6818 1.7242 2.4524 2.4911
4.3791 4.4121
k = 0.3021 0.1472 0.1472 ( 12579 PWs) bands (ev):
-82.9552 -82.9552 -52.9363 -52.9362 -42.2783 -42.2782 -41.9306 -41.9306
-16.5821 -16.5684 -16.0653 -16.0618 -15.7726 -15.7339 -15.5121 -15.4837
-15.2617 -15.2308 -7.2895 -7.1433 -6.9404 -6.8475 -6.8186 -6.7937
-6.5283 -6.5224 -6.2115 -6.1661 -5.9481 -5.9402 -4.8147 -4.7966
-4.5949 -4.5844 -3.6344 -3.6295 -3.3719 -3.3543 -3.3248 -3.3130
-3.2480 -3.2296 -2.7962 -2.7891 -2.7370 -2.7273 -2.4839 -2.4797
-1.0927 -1.0870 1.3556 1.4437 1.6393 1.6810 2.4386 2.4768
4.3188 4.3539
k = 0.2917 0.1421 0.1421 ( 12579 PWs) bands (ev):
-82.9553 -82.9553 -52.9362 -52.9362 -42.2780 -42.2779 -41.9306 -41.9306
-16.5894 -16.5754 -16.0673 -16.0636 -15.7769 -15.7360 -15.5168 -15.4858
-15.2853 -15.2517 -7.2543 -7.1096 -6.9155 -6.8316 -6.7969 -6.7726
-6.5252 -6.5194 -6.1549 -6.1048 -5.9504 -5.9409 -4.8159 -4.7968
-4.5963 -4.5857 -3.6167 -3.6113 -3.3623 -3.3429 -3.3205 -3.3113
-3.2465 -3.2279 -2.7935 -2.7866 -2.7332 -2.7233 -2.4872 -2.4830
-1.0956 -1.0895 1.3116 1.4018 1.5965 1.6375 2.4250 2.4625
4.2556 4.2931
k = 0.2812 0.1370 0.1371 ( 12577 PWs) bands (ev):
-82.9553 -82.9553 -52.9362 -52.9361 -42.2777 -42.2776 -41.9306 -41.9306
-16.5969 -16.5827 -16.0693 -16.0655 -15.7813 -15.7382 -15.5218 -15.4882
-15.3084 -15.2721 -7.2205 -7.0797 -6.8907 -6.8171 -6.7753 -6.7513
-6.5211 -6.5155 -6.0922 -6.0400 -5.9518 -5.9389 -4.8171 -4.7970
-4.5980 -4.5872 -3.5987 -3.5929 -3.3542 -3.3331 -3.3147 -3.3076
-3.2447 -3.2260 -2.7913 -2.7844 -2.7297 -2.7197 -2.4906 -2.4864
-1.0986 -1.0922 1.2679 1.3601 1.5538 1.5940 2.4115 2.4482
4.1901 4.2299
k = 0.2708 0.1319 0.1320 ( 12569 PWs) bands (ev):
-82.9552 -82.9552 -52.9362 -52.9361 -42.2774 -42.2773 -41.9307 -41.9307
-16.6046 -16.5902 -16.0713 -16.0675 -15.7859 -15.7407 -15.5273 -15.4909
-15.3308 -15.2918 -7.1884 -7.0535 -6.8665 -6.8039 -6.7535 -6.7299
-6.5159 -6.5104 -6.0263 -5.9836 -5.9496 -5.9236 -4.8185 -4.7972
-4.5998 -4.5891 -3.5805 -3.5742 -3.3481 -3.3254 -3.3092 -3.2994
-3.2425 -3.2237 -2.7894 -2.7828 -2.7264 -2.7163 -2.4941 -2.4900
-1.1017 -1.0949 1.2248 1.3186 1.5115 1.5506 2.3980 2.4339
4.1224 4.1647
k = 0.2604 0.1269 0.1269 ( 12571 PWs) bands (ev):
-82.9552 -82.9552 -52.9362 -52.9361 -42.2771 -42.2770 -41.9307 -41.9307
-16.6125 -16.5980 -16.0734 -16.0694 -15.7906 -15.7434 -15.5332 -15.4939
-15.3523 -15.3105 -7.1580 -7.0310 -6.8433 -6.7920 -6.7313 -6.7083
-6.5091 -6.5037 -5.9768 -5.9659 -5.9234 -5.8672 -4.8199 -4.7974
-4.6019 -4.5912 -3.5622 -3.5554 -3.3438 -3.3202 -3.3032 -3.2880
-3.2398 -3.2210 -2.7881 -2.7818 -2.7234 -2.7134 -2.4977 -2.4935
-1.1048 -1.0977 1.1824 1.2776 1.4698 1.5077 2.3847 2.4197
4.0529 4.0977
k = 0.2500 0.1218 0.1218 ( 12572 PWs) bands (ev):
-82.9552 -82.9552 -52.9361 -52.9361 -42.2768 -42.2767 -41.9308 -41.9308
-16.6205 -16.6061 -16.0755 -16.0714 -15.7955 -15.7464 -15.5396 -15.4974
-15.3725 -15.3283 -7.1297 -7.0119 -6.8216 -6.7810 -6.7085 -6.6870
-6.5005 -6.4951 -5.9673 -5.9633 -5.8541 -5.7897 -4.8214 -4.7975
-4.6043 -4.5936 -3.5440 -3.5366 -3.3406 -3.3170 -3.2957 -3.2757
-3.2365 -3.2175 -2.7872 -2.7813 -2.7207 -2.7108 -2.5012 -2.4972
-1.1079 -1.1005 1.1411 1.2373 1.4289 1.4655 2.3716 2.4057
3.9818 4.0293
k = 0.2396 0.1167 0.1168 ( 12575 PWs) bands (ev):
-82.9553 -82.9553 -52.9361 -52.9360 -42.2765 -42.2764 -41.9308 -41.9308
-16.6287 -16.6143 -16.0775 -16.0734 -15.8005 -15.7496 -15.5465 -15.5015
-15.3913 -15.3450 -7.1036 -6.9958 -6.8016 -6.7709 -6.6853 -6.6660
-6.4898 -6.4841 -5.9678 -5.9625 -5.7719 -5.7062 -4.8228 -4.7973
-4.6070 -4.5963 -3.5261 -3.5180 -3.3380 -3.3149 -3.2877 -3.2637
-3.2324 -3.2132 -2.7868 -2.7814 -2.7183 -2.7086 -2.5048 -2.5009
-1.1111 -1.1033 1.1010 1.1979 1.3890 1.4243 2.3587 2.3917
3.9095 3.9597
k = 0.2292 0.1116 0.1117 ( 12577 PWs) bands (ev):
-82.9553 -82.9553 -52.9361 -52.9360 -42.2762 -42.2761 -41.9308 -41.9308
-16.6369 -16.6227 -16.0795 -16.0753 -15.8056 -15.7531 -15.5539 -15.5064
-15.4083 -15.3605 -7.0799 -6.9826 -6.7836 -6.7614 -6.6617 -6.6454
-6.4768 -6.4703 -5.9693 -5.9627 -5.6850 -5.6198 -4.8241 -4.7967
-4.6100 -4.5993 -3.5085 -3.4998 -3.3356 -3.3132 -3.2802 -3.2531
-3.2268 -3.2077 -2.7869 -2.7820 -2.7163 -2.7068 -2.5084 -2.5046
-1.1142 -1.1062 1.0622 1.1596 1.3503 1.3841 2.3460 2.3780
3.8362 3.8893
k = 0.2188 0.1066 0.1066 ( 12575 PWs) bands (ev):
-82.9553 -82.9553 -52.9361 -52.9360 -42.2759 -42.2758 -41.9309 -41.9309
-16.6452 -16.6311 -16.0816 -16.0773 -15.8108 -15.7570 -15.5617 -15.5122
-15.4232 -15.3747 -7.0587 -6.9719 -6.7678 -6.7525 -6.6382 -6.6246
-6.4616 -6.4538 -5.9708 -5.9632 -5.5956 -5.5319 -4.8250 -4.7954
-4.6132 -4.6025 -3.4914 -3.4820 -3.3333 -3.3115 -3.2735 -3.2448
-3.2190 -3.2011 -2.7874 -2.7832 -2.7146 -2.7053 -2.5120 -2.5084
-1.1174 -1.1091 1.0249 1.1224 1.3130 1.3453 2.3335 2.3645
3.7624 3.8182
k = 0.2083 0.1015 0.1015 ( 12574 PWs) bands (ev):
-82.9553 -82.9553 -52.9360 -52.9360 -42.2756 -42.2755 -41.9309 -41.9309
-16.6535 -16.6397 -16.0835 -16.0792 -15.8160 -15.7612 -15.5699 -15.5191
-15.4360 -15.3876 -7.0401 -6.9634 -6.7543 -6.7443 -6.6153 -6.6028
-6.4441 -6.4346 -5.9722 -5.9637 -5.5049 -5.4438 -4.8252 -4.7928
-4.6166 -4.6059 -3.4751 -3.4650 -3.3310 -3.3098 -3.2678 -3.2391
-3.2091 -3.1934 -2.7884 -2.7848 -2.7131 -2.7042 -2.5156 -2.5121
-1.1205 -1.1120 0.9894 1.0866 1.2773 1.3079 2.3214 2.3513
3.6882 3.7468
k = 0.1979 0.0964 0.0965 ( 12582 PWs) bands (ev):
-82.9553 -82.9553 -52.9360 -52.9359 -42.2754 -42.2753 -41.9310 -41.9310
-16.6618 -16.6483 -16.0855 -16.0812 -15.8213 -15.7657 -15.5783 -15.5270
-15.4464 -15.3993 -7.0240 -6.9568 -6.7433 -6.7368 -6.5934 -6.5794
-6.4246 -6.4133 -5.9733 -5.9639 -5.4143 -5.3570 -4.8244 -4.7884
-4.6202 -4.6094 -3.4597 -3.4488 -3.3284 -3.3079 -3.2630 -3.2351
-3.1980 -3.1848 -2.7898 -2.7869 -2.7119 -2.7034 -2.5192 -2.5157
-1.1235 -1.1149 0.9556 1.0523 1.2432 1.2722 2.3096 2.3383
3.6139 3.6753
k = 0.1875 0.0913 0.0914 ( 12581 PWs) bands (ev):
-82.9553 -82.9553 -52.9360 -52.9359 -42.2751 -42.2750 -41.9310 -41.9310
-16.6700 -16.6569 -16.0874 -16.0831 -15.8266 -15.7707 -15.5868 -15.5358
-15.4547 -15.4098 -7.0103 -6.9517 -6.7345 -6.7301 -6.5720 -6.5544
-6.4033 -6.3903 -5.9740 -5.9638 -5.3255 -5.2731 -4.8216 -4.7811
-4.6237 -4.6129 -3.4455 -3.4338 -3.3257 -3.3058 -3.2588 -3.2321
-3.1866 -3.1758 -2.7915 -2.7893 -2.7109 -2.7029 -2.5227 -2.5193
-1.1265 -1.1178 0.9238 1.0194 1.2110 1.2382 2.2981 2.3257
3.5400 3.6039
k = 0.1771 0.0863 0.0863 ( 12580 PWs) bands (ev):
-82.9553 -82.9553 -52.9360 -52.9359 -42.2748 -42.2747 -41.9310 -41.9310
-16.6782 -16.6655 -16.0892 -16.0849 -15.8318 -15.7761 -15.5952 -15.5452
-15.4613 -15.4191 -6.9989 -6.9480 -6.7277 -6.7244 -6.5502 -6.5287
-6.3806 -6.3662 -5.9742 -5.9632 -5.2406 -5.1946 -4.8155 -4.7694
-4.6270 -4.6159 -3.4325 -3.4201 -3.3227 -3.3033 -3.2553 -3.2296
-3.1753 -3.1665 -2.7937 -2.7919 -2.7101 -2.7026 -2.5262 -2.5229
-1.1294 -1.1207 0.8940 0.9882 1.1807 1.2062 2.2871 2.3135
3.4665 3.5330
k = 0.1667 0.0812 0.0812 ( 12581 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9359 -42.2746 -42.2744 -41.9311 -41.9311
-16.6861 -16.6739 -16.0909 -16.0867 -15.8369 -15.7819 -15.6033 -15.5548
-15.4664 -15.4274 -6.9896 -6.9453 -6.7226 -6.7198 -6.5277 -6.5025
-6.3572 -6.3415 -5.9739 -5.9622 -5.1631 -5.1246 -4.8040 -4.7515
-4.6293 -4.6177 -3.4211 -3.4079 -3.3195 -3.3006 -3.2521 -3.2275
-3.1645 -3.1573 -2.7963 -2.7944 -2.7095 -2.7025 -2.5296 -2.5263
-1.1322 -1.1235 0.8663 0.9587 1.1524 1.1761 2.2765 2.3016
3.3940 3.4626
k = 0.1562 0.0761 0.0761 ( 12576 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9358 -42.2743 -42.2742 -41.9311 -41.9311
-16.6939 -16.6822 -16.0926 -16.0885 -15.8419 -15.7880 -15.6110 -15.5643
-15.4705 -15.4348 -6.9820 -6.9436 -6.7188 -6.7162 -6.5045 -6.4764
-6.3334 -6.3166 -5.9730 -5.9605 -5.0975 -5.0667 -4.7841 -4.7270
-4.6290 -4.6163 -3.4112 -3.3975 -3.3161 -3.2974 -3.2493 -3.2255
-3.1543 -3.1484 -2.7993 -2.7968 -2.7089 -2.7025 -2.5329 -2.5296
-1.1350 -1.1262 0.8408 0.9309 1.1261 1.1481 2.2665 2.2903
3.3226 3.3930
k = 0.1458 0.0710 0.0711 ( 12565 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9358 -42.2740 -42.2739 -41.9311 -41.9311
-16.7014 -16.6903 -16.0942 -16.0902 -15.8466 -15.7944 -15.6182 -15.5736
-15.4738 -15.4414 -6.9759 -6.9426 -6.7159 -6.7136 -6.4808 -6.4505
-6.3097 -6.2921 -5.9713 -5.9582 -5.0478 -5.0236 -4.7547 -4.7012
-4.6226 -4.6048 -3.4029 -3.3889 -3.3126 -3.2941 -3.2467 -3.2236
-3.1449 -3.1400 -2.8024 -2.7990 -2.7084 -2.7025 -2.5360 -2.5327
-1.1375 -1.1289 0.8174 0.9048 1.1019 1.1222 2.2569 2.2794
3.2528 3.3246
k = 0.1354 0.0660 0.0660 ( 12561 PWs) bands (ev):
-82.9553 -82.9553 -52.9359 -52.9358 -42.2738 -42.2737 -41.9312 -41.9311
-16.7086 -16.6982 -16.0957 -16.0918 -15.8512 -15.8011 -15.6247 -15.5824
-15.4764 -15.4472 -6.9710 -6.9421 -6.7139 -6.7118 -6.4567 -6.4251
-6.2865 -6.2684 -5.9688 -5.9551 -5.0146 -4.9953 -4.7224 -4.6860
-4.6043 -4.5713 -3.3963 -3.3821 -3.3092 -3.2906 -3.2442 -3.2219
-3.1362 -3.1321 -2.8055 -2.8012 -2.7079 -2.7026 -2.5391 -2.5357
-1.1399 -1.1316 0.7963 0.8804 1.0798 1.0984 2.2479 2.2690
3.1849 3.2576
k = 0.1250 0.0609 0.0609 ( 12575 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9358 -42.2736 -42.2735 -41.9312 -41.9312
-16.7154 -16.7057 -16.0971 -16.0934 -15.8555 -15.8080 -15.6304 -15.5907
-15.4786 -15.4524 -6.9672 -6.9421 -6.7126 -6.7107 -6.4326 -6.4006
-6.2642 -6.2459 -5.9653 -5.9513 -4.9946 -4.9790 -4.7012 -4.6825
-4.5647 -4.5171 -3.3912 -3.3772 -3.3060 -3.2872 -3.2419 -3.2201
-3.1284 -3.1249 -2.8085 -2.8033 -2.7074 -2.7027 -2.5419 -2.5385
-1.1422 -1.1341 0.7774 0.8577 1.0598 1.0769 2.2395 2.2592
3.1194 3.1922
k = 0.1146 0.0558 0.0558 ( 12572 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9358 -42.2734 -42.2733 -41.9312 -41.9312
-16.7219 -16.7129 -16.0984 -16.0949 -15.8594 -15.8149 -15.6355 -15.5985
-15.4803 -15.4570 -6.9643 -6.9425 -6.7117 -6.7101 -6.4089 -6.3771
-6.2431 -6.2249 -5.9609 -5.9467 -4.9834 -4.9707 -4.6938 -4.6844
-4.5056 -4.4529 -3.3876 -3.3740 -3.3032 -3.2842 -3.2396 -3.2184
-3.1215 -3.1185 -2.8113 -2.8052 -2.7068 -2.7027 -2.5446 -2.5412
-1.1443 -1.1365 0.7606 0.8367 1.0418 1.0576 2.2317 2.2500
3.0567 3.1289
k = 0.1042 0.0507 0.0508 ( 12575 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9358 -42.2732 -42.2731 -41.9312 -41.9312
-16.7279 -16.7197 -16.0996 -16.0963 -15.8630 -15.8217 -15.6397 -15.6057
-15.4818 -15.4611 -6.9619 -6.9431 -6.7113 -6.7098 -6.3858 -6.3550
-6.2235 -6.2057 -5.9555 -5.9414 -4.9778 -4.9674 -4.6936 -4.6885
-4.4376 -4.3852 -3.3853 -3.3723 -3.3008 -3.2817 -3.2374 -3.2169
-3.1154 -3.1128 -2.8137 -2.8069 -2.7063 -2.7026 -2.5471 -2.5436
-1.1462 -1.1389 0.7461 0.8173 1.0257 1.0404 2.2246 2.2413
2.9973 3.0680
k = 0.0938 0.0457 0.0457 ( 12569 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2730 -42.2729 -41.9313 -41.9313
-16.7335 -16.7260 -16.1007 -16.0976 -15.8662 -15.8284 -15.6433 -15.6123
-15.4829 -15.4648 -6.9601 -6.9439 -6.7111 -6.7099 -6.3638 -6.3344
-6.2055 -6.1885 -5.9491 -5.9354 -4.9758 -4.9670 -4.6966 -4.6935
-4.3673 -4.3177 -3.3843 -3.3721 -3.2989 -3.2801 -3.2351 -3.2155
-3.1102 -3.1078 -2.8158 -2.8085 -2.7057 -2.7025 -2.5493 -2.5459
-1.1479 -1.1411 0.7337 0.7996 1.0117 1.0253 2.2182 2.2333
2.9418 3.0100
k = 0.0833 0.0406 0.0406 ( 12565 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2728 -42.2728 -41.9313 -41.9313
-16.7385 -16.7318 -16.1016 -16.0988 -15.8689 -15.8349 -15.6462 -15.6184
-15.4838 -15.4680 -6.9587 -6.9449 -6.7111 -6.7101 -6.3430 -6.3157
-6.1894 -6.1735 -5.9420 -5.9289 -4.9759 -4.9684 -4.7008 -4.6988
-4.2982 -4.2526 -3.3844 -3.3731 -3.2975 -3.2792 -3.2328 -3.2143
-3.1057 -3.1036 -2.8175 -2.8099 -2.7050 -2.7024 -2.5513 -2.5480
-1.1494 -1.1431 0.7234 0.7835 0.9995 1.0121 2.2125 2.2260
2.8907 2.9554
k = 0.0729 0.0355 0.0355 ( 12580 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2727 -42.2727 -41.9313 -41.9313
-16.7430 -16.7371 -16.1024 -16.0999 -15.8711 -15.8411 -15.6484 -15.6240
-15.4845 -15.4709 -6.9576 -6.9459 -6.7113 -6.7104 -6.3238 -6.2991
-6.1751 -6.1606 -5.9343 -5.9223 -4.9774 -4.9708 -4.7056 -4.7041
-4.2325 -4.1914 -3.3855 -3.3753 -3.2964 -3.2792 -3.2304 -3.2134
-3.1019 -3.1001 -2.8188 -2.8112 -2.7044 -2.7022 -2.5530 -2.5499
-1.1506 -1.1450 0.7151 0.7688 0.9892 1.0009 2.2074 2.2194
2.8446 2.9046
k = 0.0625 0.0304 0.0305 ( 12578 PWs) bands (ev):
-82.9553 -82.9553 -52.9358 -52.9357 -42.2726 -42.2725 -41.9313 -41.9313
-16.7469 -16.7418 -16.1031 -16.1009 -15.8728 -15.8469 -15.6500 -15.6290
-15.4849 -15.4735 -6.9567 -6.9469 -6.7115 -6.7108 -6.3065 -6.2846
-6.1627 -6.1499 -5.9263 -5.9156 -4.9794 -4.9737 -4.7104 -4.7091
-4.1717 -4.1356 -3.3876 -3.3785 -3.2956 -3.2799 -3.2281 -3.2129
-3.0988 -3.0972 -2.8196 -2.8123 -2.7038 -2.7019 -2.5544 -2.5516
-1.1517 -1.1468 0.7087 0.7557 0.9808 0.9913 2.2032 2.2135
2.8041 2.8583
k = 0.0521 0.0254 0.0254 ( 12580 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2725 -42.2724 -41.9313 -41.9313
-16.7502 -16.7460 -16.1037 -16.1018 -15.8739 -15.8522 -15.6510 -15.6334
-15.4851 -15.4757 -6.9560 -6.9480 -6.7118 -6.7112 -6.2912 -6.2726
-6.1521 -6.1412 -5.9186 -5.9094 -4.9817 -4.9768 -4.7148 -4.7137
-4.1170 -4.0862 -3.3902 -3.3825 -3.2949 -3.2811 -3.2259 -3.2127
-3.0963 -3.0950 -2.8201 -2.8134 -2.7032 -2.7017 -2.5556 -2.5531
-1.1525 -1.1483 0.7042 0.7440 0.9740 0.9833 2.1997 2.2083
2.7696 2.8169
k = 0.0417 0.0203 0.0203 ( 12584 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2724 -42.2724 -41.9314 -41.9314
-16.7529 -16.7495 -16.1041 -16.1026 -15.8745 -15.8571 -15.6515 -15.6374
-15.4851 -15.4777 -6.9553 -6.9490 -6.7121 -6.7116 -6.2782 -6.2630
-6.1433 -6.1344 -5.9114 -5.9039 -4.9838 -4.9798 -4.7187 -4.7178
-4.0696 -4.0444 -3.3933 -3.3869 -3.2942 -3.2827 -3.2237 -3.2129
-3.0944 -3.0932 -2.8202 -2.8144 -2.7027 -2.7015 -2.5565 -2.5544
-1.1531 -1.1497 0.7014 0.7337 0.9689 0.9768 2.1970 2.2039
2.7418 2.7810
k = 0.0312 0.0152 0.0152 ( 12585 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2723 -42.2723 -41.9314 -41.9314
-16.7549 -16.7523 -16.1044 -16.1032 -15.8744 -15.8614 -15.6515 -15.6409
-15.4850 -15.4795 -6.9546 -6.9500 -6.7123 -6.7120 -6.2675 -6.2560
-6.1362 -6.1295 -5.9051 -5.8994 -4.9856 -4.9825 -4.7219 -4.7212
-4.0304 -4.0111 -3.3962 -3.3913 -3.2934 -3.2845 -3.2217 -3.2134
-3.0929 -3.0920 -2.8201 -2.8155 -2.7022 -2.7013 -2.5571 -2.5555
-1.1535 -1.1509 0.7003 0.7247 0.9653 0.9715 2.1950 2.2003
2.7209 2.7512
k = 0.0208 0.0101 0.0102 ( 12587 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2723 -42.2723 -41.9314 -41.9314
-16.7562 -16.7545 -16.1045 -16.1037 -15.8738 -15.8651 -15.6509 -15.6438
-15.4846 -15.4809 -6.9540 -6.9509 -6.7124 -6.7122 -6.2592 -6.2515
-6.1308 -6.1263 -5.9002 -5.8963 -4.9868 -4.9847 -4.7242 -4.7237
-4.0005 -3.9875 -3.3986 -3.3953 -3.2924 -3.2864 -3.2198 -3.2142
-3.0918 -3.0912 -2.8196 -2.8164 -2.7019 -2.7013 -2.5575 -2.5563
-1.1536 -1.1519 0.7007 0.7172 0.9632 0.9675 2.1939 2.1974
2.7073 2.7280
k = 0.0104 0.0051 0.0051 ( 12592 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7568 -16.7559 -16.1045 -16.1041 -15.8726 -15.8682 -15.6499 -15.6463
-15.4840 -15.4822 -6.9533 -6.9518 -6.7125 -6.7124 -6.2535 -6.2496
-6.1271 -6.1249 -5.8967 -5.8947 -4.9874 -4.9863 -4.7256 -4.7253
-3.9809 -3.9743 -3.4000 -3.3983 -3.2912 -3.2882 -3.2181 -3.2152
-3.0911 -3.0908 -2.8190 -2.8174 -2.7016 -2.7013 -2.5575 -2.5570
-1.1535 -1.1526 0.7027 0.7110 0.9624 0.9646 2.1936 2.1953
2.7012 2.7117
k = 0.0000 0.0000 0.0000 ( 12595 PWs) bands (ev):
-82.9553 -82.9553 -52.9357 -52.9357 -42.2722 -42.2722 -41.9314 -41.9314
-16.7567 -16.7567 -16.1044 -16.1044 -15.8707 -15.8707 -15.6483 -15.6483
-15.4832 -15.4832 -6.9526 -6.9526 -6.7125 -6.7125 -6.2503 -6.2503
-6.1252 -6.1252 -5.8949 -5.8949 -4.9872 -4.9872 -4.7260 -4.7260
-3.9720 -3.9720 -3.3999 -3.3999 -3.2898 -3.2898 -3.2166 -3.2166
-3.0908 -3.0908 -2.8183 -2.8183 -2.7014 -2.7014 -2.5574 -2.5574
-1.1532 -1.1532 0.7061 0.7061 0.9629 0.9629 2.1940 2.1940
2.7027 2.7027
Writing output data file ReNCl4.save
init_run : 1.64s CPU 0.99s WALL ( 1 calls)
electrons : 431.20s CPU 343.57s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.00s WALL ( 1 calls)
potinit : 0.22s CPU 0.15s WALL ( 1 calls)
Called by electrons:
c_bands : 431.19s CPU 343.56s WALL ( 1 calls)
v_of_rho : 0.03s CPU 0.02s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.02s CPU 0.01s WALL ( 1 calls)
newd : 0.37s CPU 0.22s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.49s CPU 0.47s WALL ( 247 calls)
cegterg : 355.00s CPU 300.38s WALL ( 247 calls)
Called by sum_band:
Called by *egterg:
h_psi : 289.05s CPU 210.93s WALL ( 4093 calls)
s_psi : 7.52s CPU 6.04s WALL ( 4093 calls)
g_psi : 0.27s CPU 0.24s WALL ( 3599 calls)
cdiaghg : 92.49s CPU 88.96s WALL ( 3846 calls)
cegterg:over : 12.07s CPU 11.73s WALL ( 3599 calls)
cegterg:upda : 7.62s CPU 7.35s WALL ( 3599 calls)
cegterg:last : 4.88s CPU 4.82s WALL ( 741 calls)
cdiaghg:chol : 3.15s CPU 3.03s WALL ( 3846 calls)
cdiaghg:inve : 1.76s CPU 1.81s WALL ( 3846 calls)
cdiaghg:para : 6.12s CPU 5.69s WALL ( 7692 calls)
Called by h_psi:
h_psi:vloc : 270.43s CPU 196.07s WALL ( 4093 calls)
h_psi:vnl : 18.37s CPU 14.63s WALL ( 4093 calls)
add_vuspsi : 9.72s CPU 7.53s WALL ( 4093 calls)
General routines
calbec : 8.63s CPU 7.09s WALL ( 4093 calls)
fft : 0.11s CPU 0.06s WALL ( 19 calls)
ffts : 0.03s CPU 0.02s WALL ( 4 calls)
fftw : 263.89s CPU 190.86s WALL ( 538204 calls)
interpolate : 0.05s CPU 0.03s WALL ( 4 calls)
davcio : 0.24s CPU 1.14s WALL ( 494 calls)
Parallel routines
fft_scatter : 183.28s CPU 146.38s WALL ( 538227 calls)
PWSCF : 8m16.10s CPU 7m 1.78s WALL
This run was terminated on: 23:31:38 21Mar2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=