Program PWSCF v.5.4.0 starts on 11Feb2017 at 6:12:14
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 72 processor cores
Number of MPI processes: 36
Threads/MPI process: 2
R & G space division: proc/nbgrp/npool/nimage = 36
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./CaBiAu.save/
file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized
file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized
file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized
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: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 73 29 8 2488 627 99
Max 74 30 9 2492 646 103
Sum 2647 1069 313 89625 22995 3647
bravais-lattice index = 14
lattice parameter (alat) = 9.1546 a.u.
unit-cell volume = 542.4983 (a.u.)^3
number of atoms/cell = 3
number of atomic types = 3
number of electrons = 36.00
number of Kohn-Sham states= 44
kinetic-energy cutoff = 46.0000 Ry
charge density cutoff = 457.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 9.154567 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.500000 0.866025 0.000000 )
a(3) = ( 0.500000 0.288675 0.816497 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.577350 -0.408248 )
b(2) = ( 0.000000 1.154701 -0.408248 )
b(3) = ( 0.000000 0.000000 1.224745 )
PseudoPot. # 1 for Bi read from file:
/users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0
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 1283 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 Ca read from file:
/users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 60bd286d514994a6a955285ae841e6ef
Pseudo is Ultrasoft + core correction, Zval = 10.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1169 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
PseudoPot. # 3 for Au read from file:
/users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd
Pseudo is Ultrasoft + core correction, Zval = 11.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1279 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
Bi 15.00 208.98040 Bi( 1.00)
Ca 10.00 40.07800 Ca( 1.00)
Au 11.00 196.96660 Au( 1.00)
6 Sym. Ops. (no inversion) found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 120 deg rotation - cryst. axis [0,0,1]
cryst. s( 2) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 )
( 0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 3 120 deg rotation - cryst. axis [0,0,-1]
cryst. s( 3) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 4 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 4) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0]
cryst. s( 5) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 )
( 0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0]
cryst. s( 6) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
double point group C_3v (3m)
there are 6 classes and 3 irreducible representations
the character table:
E -E 2C3 -2C3 3s_v -3s_v
G_4 2.00 -2.00 1.00 -1.00 0.00 0.00
G_5 1.00 -1.00 -1.00 1.00 0.00 0.00
G_6 1.00 -1.00 -1.00 1.00 0.00 0.00
imaginary part
E -E 2C3 -2C3 3s_v -3s_v
G_4 0.00 0.00 0.00 0.00 0.00 0.00
G_5 0.00 0.00 0.00 0.00 1.00 -1.00
G_6 0.00 0.00 0.00 0.00 -1.00 1.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
2C3 2 3
120 deg rotation - cryst. axis [0,0,1]
-2C3 -2 -3
120 deg rotation - cryst. axis [0,0,1] E
3s_v 4 5 -6
inv. 180 deg rotation - cart. axis [1,0,0]
3s_v 6 -4 -5
inv. 180 deg rotation - cryst. axis [1,1,0]
Cartesian axes
number of k points= 310 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258
k( 2) = ( 0.0108696 -0.0062755 0.0088750), wk = 0.0032258
k( 3) = ( 0.0217391 -0.0125511 0.0177499), wk = 0.0032258
k( 4) = ( 0.0326087 -0.0188266 0.0266249), wk = 0.0032258
k( 5) = ( 0.0434783 -0.0251022 0.0354999), wk = 0.0032258
k( 6) = ( 0.0543478 -0.0313777 0.0443748), wk = 0.0032258
k( 7) = ( 0.0652174 -0.0376533 0.0532498), wk = 0.0032258
k( 8) = ( 0.0760870 -0.0439288 0.0621247), wk = 0.0032258
k( 9) = ( 0.0869565 -0.0502044 0.0709997), wk = 0.0032258
k( 10) = ( 0.0978261 -0.0564799 0.0798747), wk = 0.0032258
k( 11) = ( 0.1086957 -0.0627555 0.0887496), wk = 0.0032258
k( 12) = ( 0.1195652 -0.0690310 0.0976246), wk = 0.0032258
k( 13) = ( 0.1304348 -0.0753066 0.1064996), wk = 0.0032258
k( 14) = ( 0.1413043 -0.0815821 0.1153745), wk = 0.0032258
k( 15) = ( 0.1521739 -0.0878576 0.1242495), wk = 0.0032258
k( 16) = ( 0.1630435 -0.0941332 0.1331244), wk = 0.0032258
k( 17) = ( 0.1739130 -0.1004087 0.1419994), wk = 0.0032258
k( 18) = ( 0.1847826 -0.1066843 0.1508744), wk = 0.0032258
k( 19) = ( 0.1956522 -0.1129598 0.1597493), wk = 0.0032258
k( 20) = ( 0.2065217 -0.1192354 0.1686243), wk = 0.0032258
k( 21) = ( 0.2173913 -0.1255109 0.1774993), wk = 0.0032258
k( 22) = ( 0.2282609 -0.1317865 0.1863742), wk = 0.0032258
k( 23) = ( 0.2391304 -0.1380620 0.1952492), wk = 0.0032258
k( 24) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0032258
k( 25) = ( 0.2608696 -0.1506131 0.2129991), wk = 0.0032258
k( 26) = ( 0.2717391 -0.1568887 0.2218741), wk = 0.0032258
k( 27) = ( 0.2826087 -0.1631642 0.2307490), wk = 0.0032258
k( 28) = ( 0.2934783 -0.1694398 0.2396240), wk = 0.0032258
k( 29) = ( 0.3043478 -0.1757153 0.2484990), wk = 0.0032258
k( 30) = ( 0.3152174 -0.1819908 0.2573739), wk = 0.0032258
k( 31) = ( 0.3260870 -0.1882664 0.2662489), wk = 0.0032258
k( 32) = ( 0.3369565 -0.1945419 0.2751238), wk = 0.0032258
k( 33) = ( 0.3478261 -0.2008175 0.2839988), wk = 0.0032258
k( 34) = ( 0.3586956 -0.2070930 0.2928738), wk = 0.0032258
k( 35) = ( 0.3695652 -0.2133686 0.3017487), wk = 0.0032258
k( 36) = ( 0.3804348 -0.2196441 0.3106237), wk = 0.0032258
k( 37) = ( 0.3913044 -0.2259197 0.3194987), wk = 0.0032258
k( 38) = ( 0.4021739 -0.2321952 0.3283736), wk = 0.0032258
k( 39) = ( 0.4130435 -0.2384708 0.3372486), wk = 0.0032258
k( 40) = ( 0.4239130 -0.2447463 0.3461235), wk = 0.0032258
k( 41) = ( 0.4347826 -0.2510219 0.3549985), wk = 0.0032258
k( 42) = ( 0.4456522 -0.2572974 0.3638735), wk = 0.0032258
k( 43) = ( 0.4565217 -0.2635729 0.3727484), wk = 0.0032258
k( 44) = ( 0.4673913 -0.2698485 0.3816234), wk = 0.0032258
k( 45) = ( 0.4782609 -0.2761240 0.3904984), wk = 0.0032258
k( 46) = ( 0.4891304 -0.2823996 0.3993733), wk = 0.0032258
k( 47) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0032258
k( 48) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0032258
k( 49) = ( 0.5000000 -0.2761240 0.4171233), wk = 0.0032258
k( 50) = ( 0.5000000 -0.2635729 0.4259982), wk = 0.0032258
k( 51) = ( 0.5000000 -0.2510219 0.4348732), wk = 0.0032258
k( 52) = ( 0.5000000 -0.2384708 0.4437481), wk = 0.0032258
k( 53) = ( 0.5000000 -0.2259197 0.4526231), wk = 0.0032258
k( 54) = ( 0.5000000 -0.2133686 0.4614981), wk = 0.0032258
k( 55) = ( 0.5000000 -0.2008175 0.4703730), wk = 0.0032258
k( 56) = ( 0.5000000 -0.1882664 0.4792480), wk = 0.0032258
k( 57) = ( 0.5000000 -0.1757153 0.4881230), wk = 0.0032258
k( 58) = ( 0.5000000 -0.1631642 0.4969979), wk = 0.0032258
k( 59) = ( 0.5000000 -0.1506131 0.5058729), wk = 0.0032258
k( 60) = ( 0.5000000 -0.1380620 0.5147478), wk = 0.0032258
k( 61) = ( 0.5000000 -0.1255109 0.5236228), wk = 0.0032258
k( 62) = ( 0.5000000 -0.1129598 0.5324978), wk = 0.0032258
k( 63) = ( 0.5000000 -0.1004087 0.5413727), wk = 0.0032258
k( 64) = ( 0.5000000 -0.0878577 0.5502477), wk = 0.0032258
k( 65) = ( 0.5000000 -0.0753066 0.5591227), wk = 0.0032258
k( 66) = ( 0.5000000 -0.0627555 0.5679976), wk = 0.0032258
k( 67) = ( 0.5000000 -0.0502044 0.5768726), wk = 0.0032258
k( 68) = ( 0.5000000 -0.0376533 0.5857475), wk = 0.0032258
k( 69) = ( 0.5000000 -0.0251022 0.5946225), wk = 0.0032258
k( 70) = ( 0.5000000 -0.0125511 0.6034975), wk = 0.0032258
k( 71) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0032258
k( 72) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0032258
k( 73) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0032258
k( 74) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0032258
k( 75) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0032258
k( 76) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0032258
k( 77) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0032258
k( 78) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0032258
k( 79) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0032258
k( 80) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0032258
k( 81) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0032258
k( 82) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0032258
k( 83) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0032258
k( 84) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0032258
k( 85) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0032258
k( 86) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0032258
k( 87) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0032258
k( 88) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0032258
k( 89) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0032258
k( 90) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0032258
k( 91) = ( 0.3673469 0.2120879 0.5998750), wk = 0.0032258
k( 92) = ( 0.3596939 0.2076694 0.5873776), wk = 0.0032258
k( 93) = ( 0.3520408 0.2032509 0.5748802), wk = 0.0032258
k( 94) = ( 0.3443878 0.1988324 0.5623828), wk = 0.0032258
k( 95) = ( 0.3367347 0.1944139 0.5498855), wk = 0.0032258
k( 96) = ( 0.3290816 0.1899954 0.5373881), wk = 0.0032258
k( 97) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0032258
k( 98) = ( 0.3137755 0.1811584 0.5123933), wk = 0.0032258
k( 99) = ( 0.3061224 0.1767399 0.4998959), wk = 0.0032258
k( 100) = ( 0.2984694 0.1723214 0.4873985), wk = 0.0032258
k( 101) = ( 0.2908163 0.1679029 0.4749011), wk = 0.0032258
k( 102) = ( 0.2831633 0.1634844 0.4624037), wk = 0.0032258
k( 103) = ( 0.2755102 0.1590659 0.4499063), wk = 0.0032258
k( 104) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0032258
k( 105) = ( 0.2602041 0.1502289 0.4249115), wk = 0.0032258
k( 106) = ( 0.2525510 0.1458104 0.4124141), wk = 0.0032258
k( 107) = ( 0.2448980 0.1413919 0.3999167), wk = 0.0032258
k( 108) = ( 0.2372449 0.1369734 0.3874193), wk = 0.0032258
k( 109) = ( 0.2295918 0.1325549 0.3749219), wk = 0.0032258
k( 110) = ( 0.2219388 0.1281364 0.3624245), wk = 0.0032258
k( 111) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0032258
k( 112) = ( 0.2066327 0.1192994 0.3374297), wk = 0.0032258
k( 113) = ( 0.1989796 0.1148809 0.3249323), wk = 0.0032258
k( 114) = ( 0.1913265 0.1104624 0.3124349), wk = 0.0032258
k( 115) = ( 0.1836735 0.1060439 0.2999375), wk = 0.0032258
k( 116) = ( 0.1760204 0.1016254 0.2874401), wk = 0.0032258
k( 117) = ( 0.1683673 0.0972069 0.2749427), wk = 0.0032258
k( 118) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0032258
k( 119) = ( 0.1530612 0.0883699 0.2499479), wk = 0.0032258
k( 120) = ( 0.1454082 0.0839514 0.2374505), wk = 0.0032258
k( 121) = ( 0.1377551 0.0795329 0.2249531), wk = 0.0032258
k( 122) = ( 0.1301020 0.0751144 0.2124557), wk = 0.0032258
k( 123) = ( 0.1224490 0.0706960 0.1999583), wk = 0.0032258
k( 124) = ( 0.1147959 0.0662775 0.1874610), wk = 0.0032258
k( 125) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0032258
k( 126) = ( 0.0994898 0.0574405 0.1624662), wk = 0.0032258
k( 127) = ( 0.0918367 0.0530220 0.1499688), wk = 0.0032258
k( 128) = ( 0.0841837 0.0486035 0.1374714), wk = 0.0032258
k( 129) = ( 0.0765306 0.0441850 0.1249740), wk = 0.0032258
k( 130) = ( 0.0688775 0.0397665 0.1124766), wk = 0.0032258
k( 131) = ( 0.0612245 0.0353480 0.0999792), wk = 0.0032258
k( 132) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0032258
k( 133) = ( 0.0459184 0.0265110 0.0749844), wk = 0.0032258
k( 134) = ( 0.0382653 0.0220925 0.0624870), wk = 0.0032258
k( 135) = ( 0.0306122 0.0176740 0.0499896), wk = 0.0032258
k( 136) = ( 0.0229592 0.0132555 0.0374922), wk = 0.0032258
k( 137) = ( 0.0153061 0.0088370 0.0249948), wk = 0.0032258
k( 138) = ( 0.0076531 0.0044185 0.0124974), wk = 0.0032258
k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258
k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258
k( 141) = ( 0.0125000 0.0072169 0.0051031), wk = 0.0032258
k( 142) = ( 0.0250000 0.0144338 0.0102062), wk = 0.0032258
k( 143) = ( 0.0375000 0.0216506 0.0153093), wk = 0.0032258
k( 144) = ( 0.0500000 0.0288675 0.0204124), wk = 0.0032258
k( 145) = ( 0.0625000 0.0360844 0.0255155), wk = 0.0032258
k( 146) = ( 0.0750000 0.0433013 0.0306186), wk = 0.0032258
k( 147) = ( 0.0875000 0.0505181 0.0357217), wk = 0.0032258
k( 148) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0032258
k( 149) = ( 0.1125000 0.0649519 0.0459279), wk = 0.0032258
k( 150) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0032258
k( 151) = ( 0.1375000 0.0793857 0.0561341), wk = 0.0032258
k( 152) = ( 0.1500000 0.0866025 0.0612372), wk = 0.0032258
k( 153) = ( 0.1625000 0.0938194 0.0663403), wk = 0.0032258
k( 154) = ( 0.1750000 0.1010363 0.0714435), wk = 0.0032258
k( 155) = ( 0.1875000 0.1082532 0.0765466), wk = 0.0032258
k( 156) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0032258
k( 157) = ( 0.2125000 0.1226869 0.0867528), wk = 0.0032258
k( 158) = ( 0.2250000 0.1299038 0.0918559), wk = 0.0032258
k( 159) = ( 0.2375000 0.1371207 0.0969590), wk = 0.0032258
k( 160) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0032258
k( 161) = ( 0.2625000 0.1515544 0.1071652), wk = 0.0032258
k( 162) = ( 0.2750000 0.1587713 0.1122683), wk = 0.0032258
k( 163) = ( 0.2875000 0.1659882 0.1173714), wk = 0.0032258
k( 164) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0032258
k( 165) = ( 0.3125000 0.1804220 0.1275776), wk = 0.0032258
k( 166) = ( 0.3250000 0.1876388 0.1326807), wk = 0.0032258
k( 167) = ( 0.3375000 0.1948557 0.1377838), wk = 0.0032258
k( 168) = ( 0.3500000 0.2020726 0.1428869), wk = 0.0032258
k( 169) = ( 0.3625000 0.2092895 0.1479900), wk = 0.0032258
k( 170) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0032258
k( 171) = ( 0.3875000 0.2237232 0.1581962), wk = 0.0032258
k( 172) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0032258
k( 173) = ( 0.4125000 0.2381570 0.1684024), wk = 0.0032258
k( 174) = ( 0.4250000 0.2453739 0.1735055), wk = 0.0032258
k( 175) = ( 0.4375000 0.2525907 0.1786086), wk = 0.0032258
k( 176) = ( 0.4500000 0.2598076 0.1837117), wk = 0.0032258
k( 177) = ( 0.4625000 0.2670245 0.1888148), wk = 0.0032258
k( 178) = ( 0.4750000 0.2742414 0.1939179), wk = 0.0032258
k( 179) = ( 0.4875000 0.2814583 0.1990210), wk = 0.0032258
k( 180) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0032258
k( 181) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0032258
k( 182) = ( 0.5043103 0.2762322 0.2111629), wk = 0.0032258
k( 183) = ( 0.5086207 0.2637893 0.2182017), wk = 0.0032258
k( 184) = ( 0.5129310 0.2513465 0.2252404), wk = 0.0032258
k( 185) = ( 0.5172414 0.2389036 0.2322792), wk = 0.0032258
k( 186) = ( 0.5215517 0.2264607 0.2393180), wk = 0.0032258
k( 187) = ( 0.5258621 0.2140178 0.2463567), wk = 0.0032258
k( 188) = ( 0.5301724 0.2015749 0.2533955), wk = 0.0032258
k( 189) = ( 0.5344828 0.1891320 0.2604343), wk = 0.0032258
k( 190) = ( 0.5387931 0.1766891 0.2674730), wk = 0.0032258
k( 191) = ( 0.5431035 0.1642462 0.2745118), wk = 0.0032258
k( 192) = ( 0.5474138 0.1518033 0.2815505), wk = 0.0032258
k( 193) = ( 0.5517241 0.1393604 0.2885893), wk = 0.0032258
k( 194) = ( 0.5560345 0.1269175 0.2956281), wk = 0.0032258
k( 195) = ( 0.5603448 0.1144746 0.3026668), wk = 0.0032258
k( 196) = ( 0.5646552 0.1020317 0.3097056), wk = 0.0032258
k( 197) = ( 0.5689655 0.0895888 0.3167444), wk = 0.0032258
k( 198) = ( 0.5732759 0.0771459 0.3237831), wk = 0.0032258
k( 199) = ( 0.5775862 0.0647030 0.3308219), wk = 0.0032258
k( 200) = ( 0.5818965 0.0522602 0.3378607), wk = 0.0032258
k( 201) = ( 0.5862069 0.0398173 0.3448994), wk = 0.0032258
k( 202) = ( 0.5905172 0.0273744 0.3519382), wk = 0.0032258
k( 203) = ( 0.5948276 0.0149315 0.3589769), wk = 0.0032258
k( 204) = ( 0.5991379 0.0024886 0.3660157), wk = 0.0032258
k( 205) = ( 0.6034483 -0.0099543 0.3730545), wk = 0.0032258
k( 206) = ( 0.6077586 -0.0223972 0.3800932), wk = 0.0032258
k( 207) = ( 0.6120690 -0.0348401 0.3871320), wk = 0.0032258
k( 208) = ( 0.6163793 -0.0472830 0.3941708), wk = 0.0032258
k( 209) = ( 0.6206897 -0.0597259 0.4012095), wk = 0.0032258
k( 210) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0032258
k( 211) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0032258
k( 212) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0032258
k( 213) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0032258
k( 214) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0032258
k( 215) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0032258
k( 216) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0032258
k( 217) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0032258
k( 218) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0032258
k( 219) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0032258
k( 220) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0032258
k( 221) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0032258
k( 222) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0032258
k( 223) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0032258
k( 224) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0032258
k( 225) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0032258
k( 226) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0032258
k( 227) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0032258
k( 228) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0032258
k( 229) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0032258
k( 230) = ( 0.5000000 0.0087477 0.6000013), wk = 0.0032258
k( 231) = ( 0.5000000 0.0174955 0.5876301), wk = 0.0032258
k( 232) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0032258
k( 233) = ( 0.5000000 0.0349909 0.5628878), wk = 0.0032258
k( 234) = ( 0.5000000 0.0437387 0.5505166), wk = 0.0032258
k( 235) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0032258
k( 236) = ( 0.5000000 0.0612341 0.5257743), wk = 0.0032258
k( 237) = ( 0.5000000 0.0699819 0.5134032), wk = 0.0032258
k( 238) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0032258
k( 239) = ( 0.5000000 0.0874773 0.4886608), wk = 0.0032258
k( 240) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0032258
k( 241) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0032258
k( 242) = ( 0.5000000 0.1137205 0.4515473), wk = 0.0032258
k( 243) = ( 0.5000000 0.1224682 0.4391762), wk = 0.0032258
k( 244) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0032258
k( 245) = ( 0.5000000 0.1399637 0.4144339), wk = 0.0032258
k( 246) = ( 0.5000000 0.1487114 0.4020627), wk = 0.0032258
k( 247) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0032258
k( 248) = ( 0.5000000 0.1662069 0.3773204), wk = 0.0032258
k( 249) = ( 0.5000000 0.1749546 0.3649492), wk = 0.0032258
k( 250) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0032258
k( 251) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0032258
k( 252) = ( 0.5000000 0.2011978 0.3278358), wk = 0.0032258
k( 253) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0032258
k( 254) = ( 0.5000000 0.2186933 0.3030934), wk = 0.0032258
k( 255) = ( 0.5000000 0.2274410 0.2907223), wk = 0.0032258
k( 256) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0032258
k( 257) = ( 0.5000000 0.2449365 0.2659800), wk = 0.0032258
k( 258) = ( 0.5000000 0.2536842 0.2536088), wk = 0.0032258
k( 259) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0032258
k( 260) = ( 0.5000000 0.2711797 0.2288665), wk = 0.0032258
k( 261) = ( 0.5000000 0.2799274 0.2164953), wk = 0.0032258
k( 262) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0032258
k( 263) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0032258
k( 264) = ( 0.4956897 0.2861866 0.2182017), wk = 0.0032258
k( 265) = ( 0.4913793 0.2836980 0.2322792), wk = 0.0032258
k( 266) = ( 0.4870690 0.2812094 0.2463567), wk = 0.0032258
k( 267) = ( 0.4827586 0.2787208 0.2604343), wk = 0.0032258
k( 268) = ( 0.4784483 0.2762322 0.2745118), wk = 0.0032258
k( 269) = ( 0.4741379 0.2737437 0.2885893), wk = 0.0032258
k( 270) = ( 0.4698276 0.2712551 0.3026668), wk = 0.0032258
k( 271) = ( 0.4655172 0.2687665 0.3167444), wk = 0.0032258
k( 272) = ( 0.4612069 0.2662779 0.3308219), wk = 0.0032258
k( 273) = ( 0.4568966 0.2637893 0.3448994), wk = 0.0032258
k( 274) = ( 0.4525862 0.2613008 0.3589769), wk = 0.0032258
k( 275) = ( 0.4482759 0.2588122 0.3730545), wk = 0.0032258
k( 276) = ( 0.4439655 0.2563236 0.3871320), wk = 0.0032258
k( 277) = ( 0.4396552 0.2538350 0.4012095), wk = 0.0032258
k( 278) = ( 0.4353448 0.2513465 0.4152870), wk = 0.0032258
k( 279) = ( 0.4310345 0.2488579 0.4293646), wk = 0.0032258
k( 280) = ( 0.4267241 0.2463693 0.4434421), wk = 0.0032258
k( 281) = ( 0.4224138 0.2438807 0.4575196), wk = 0.0032258
k( 282) = ( 0.4181034 0.2413921 0.4715972), wk = 0.0032258
k( 283) = ( 0.4137931 0.2389036 0.4856747), wk = 0.0032258
k( 284) = ( 0.4094828 0.2364150 0.4997522), wk = 0.0032258
k( 285) = ( 0.4051724 0.2339264 0.5138297), wk = 0.0032258
k( 286) = ( 0.4008621 0.2314378 0.5279073), wk = 0.0032258
k( 287) = ( 0.3965517 0.2289492 0.5419848), wk = 0.0032258
k( 288) = ( 0.3922414 0.2264607 0.5560623), wk = 0.0032258
k( 289) = ( 0.3879310 0.2239721 0.5701399), wk = 0.0032258
k( 290) = ( 0.3836207 0.2214835 0.5842174), wk = 0.0032258
k( 291) = ( 0.3793103 0.2189949 0.5982949), wk = 0.0032258
k( 292) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0032258
k( 293) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0032258
k( 294) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0032258
k( 295) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0032258
k( 296) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0032258
k( 297) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0032258
k( 298) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0032258
k( 299) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0032258
k( 300) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0032258
k( 301) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0032258
k( 302) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0032258
k( 303) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0032258
k( 304) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0032258
k( 305) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0032258
k( 306) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0032258
k( 307) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0032258
k( 308) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0032258
k( 309) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0032258
k( 310) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0032258
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258
k( 2) = ( 0.0108696 0.0000000 0.0108696), wk = 0.0032258
k( 3) = ( 0.0217391 -0.0000000 0.0217391), wk = 0.0032258
k( 4) = ( 0.0326087 0.0000000 0.0326087), wk = 0.0032258
k( 5) = ( 0.0434783 -0.0000000 0.0434783), wk = 0.0032258
k( 6) = ( 0.0543478 -0.0000000 0.0543478), wk = 0.0032258
k( 7) = ( 0.0652174 0.0000000 0.0652174), wk = 0.0032258
k( 8) = ( 0.0760870 0.0000000 0.0760870), wk = 0.0032258
k( 9) = ( 0.0869565 -0.0000000 0.0869565), wk = 0.0032258
k( 10) = ( 0.0978261 -0.0000000 0.0978261), wk = 0.0032258
k( 11) = ( 0.1086957 -0.0000000 0.1086957), wk = 0.0032258
k( 12) = ( 0.1195652 -0.0000000 0.1195652), wk = 0.0032258
k( 13) = ( 0.1304348 0.0000000 0.1304348), wk = 0.0032258
k( 14) = ( 0.1413043 0.0000000 0.1413043), wk = 0.0032258
k( 15) = ( 0.1521739 -0.0000000 0.1521739), wk = 0.0032258
k( 16) = ( 0.1630435 -0.0000000 0.1630435), wk = 0.0032258
k( 17) = ( 0.1739130 -0.0000000 0.1739130), wk = 0.0032258
k( 18) = ( 0.1847826 0.0000000 0.1847826), wk = 0.0032258
k( 19) = ( 0.1956522 -0.0000000 0.1956522), wk = 0.0032258
k( 20) = ( 0.2065217 -0.0000000 0.2065217), wk = 0.0032258
k( 21) = ( 0.2173913 -0.0000000 0.2173913), wk = 0.0032258
k( 22) = ( 0.2282609 -0.0000000 0.2282609), wk = 0.0032258
k( 23) = ( 0.2391304 -0.0000000 0.2391304), wk = 0.0032258
k( 24) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0032258
k( 25) = ( 0.2608696 0.0000000 0.2608696), wk = 0.0032258
k( 26) = ( 0.2717391 0.0000000 0.2717391), wk = 0.0032258
k( 27) = ( 0.2826087 0.0000000 0.2826087), wk = 0.0032258
k( 28) = ( 0.2934783 0.0000000 0.2934783), wk = 0.0032258
k( 29) = ( 0.3043478 0.0000000 0.3043478), wk = 0.0032258
k( 30) = ( 0.3152174 0.0000000 0.3152174), wk = 0.0032258
k( 31) = ( 0.3260870 -0.0000000 0.3260870), wk = 0.0032258
k( 32) = ( 0.3369565 0.0000000 0.3369565), wk = 0.0032258
k( 33) = ( 0.3478261 -0.0000000 0.3478261), wk = 0.0032258
k( 34) = ( 0.3586956 0.0000000 0.3586957), wk = 0.0032258
k( 35) = ( 0.3695652 0.0000000 0.3695652), wk = 0.0032258
k( 36) = ( 0.3804348 -0.0000000 0.3804348), wk = 0.0032258
k( 37) = ( 0.3913044 -0.0000000 0.3913044), wk = 0.0032258
k( 38) = ( 0.4021739 -0.0000000 0.4021739), wk = 0.0032258
k( 39) = ( 0.4130435 -0.0000000 0.4130435), wk = 0.0032258
k( 40) = ( 0.4239130 -0.0000000 0.4239130), wk = 0.0032258
k( 41) = ( 0.4347826 0.0000000 0.4347826), wk = 0.0032258
k( 42) = ( 0.4456522 -0.0000000 0.4456522), wk = 0.0032258
k( 43) = ( 0.4565217 -0.0000000 0.4565217), wk = 0.0032258
k( 44) = ( 0.4673913 -0.0000000 0.4673913), wk = 0.0032258
k( 45) = ( 0.4782609 -0.0000000 0.4782609), wk = 0.0032258
k( 46) = ( 0.4891304 -0.0000000 0.4891304), wk = 0.0032258
k( 47) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258
k( 48) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258
k( 49) = ( 0.5000000 0.0108696 0.5108696), wk = 0.0032258
k( 50) = ( 0.5000000 0.0217391 0.5217391), wk = 0.0032258
k( 51) = ( 0.5000000 0.0326087 0.5326087), wk = 0.0032258
k( 52) = ( 0.5000000 0.0434783 0.5434783), wk = 0.0032258
k( 53) = ( 0.5000000 0.0543478 0.5543478), wk = 0.0032258
k( 54) = ( 0.5000000 0.0652174 0.5652174), wk = 0.0032258
k( 55) = ( 0.5000000 0.0760870 0.5760870), wk = 0.0032258
k( 56) = ( 0.5000000 0.0869565 0.5869565), wk = 0.0032258
k( 57) = ( 0.5000000 0.0978261 0.5978261), wk = 0.0032258
k( 58) = ( 0.5000000 0.1086957 0.6086957), wk = 0.0032258
k( 59) = ( 0.5000000 0.1195652 0.6195652), wk = 0.0032258
k( 60) = ( 0.5000000 0.1304348 0.6304348), wk = 0.0032258
k( 61) = ( 0.5000000 0.1413043 0.6413044), wk = 0.0032258
k( 62) = ( 0.5000000 0.1521739 0.6521739), wk = 0.0032258
k( 63) = ( 0.5000000 0.1630435 0.6630435), wk = 0.0032258
k( 64) = ( 0.5000000 0.1739130 0.6739130), wk = 0.0032258
k( 65) = ( 0.5000000 0.1847826 0.6847826), wk = 0.0032258
k( 66) = ( 0.5000000 0.1956522 0.6956522), wk = 0.0032258
k( 67) = ( 0.5000000 0.2065217 0.7065217), wk = 0.0032258
k( 68) = ( 0.5000000 0.2173913 0.7173913), wk = 0.0032258
k( 69) = ( 0.5000000 0.2282609 0.7282609), wk = 0.0032258
k( 70) = ( 0.5000000 0.2391304 0.7391304), wk = 0.0032258
k( 71) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032258
k( 72) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032258
k( 73) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0032258
k( 74) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0032258
k( 75) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0032258
k( 76) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0032258
k( 77) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0032258
k( 78) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0032258
k( 79) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0032258
k( 80) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0032258
k( 81) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0032258
k( 82) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0032258
k( 83) = ( 0.4191177 0.3308824 0.7500000), wk = 0.0032258
k( 84) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0032258
k( 85) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0032258
k( 86) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0032258
k( 87) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0032258
k( 88) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0032258
k( 89) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0032258
k( 90) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0032258
k( 91) = ( 0.3673469 0.3673469 0.7346939), wk = 0.0032258
k( 92) = ( 0.3596939 0.3596939 0.7193878), wk = 0.0032258
k( 93) = ( 0.3520408 0.3520408 0.7040816), wk = 0.0032258
k( 94) = ( 0.3443878 0.3443878 0.6887755), wk = 0.0032258
k( 95) = ( 0.3367347 0.3367347 0.6734694), wk = 0.0032258
k( 96) = ( 0.3290816 0.3290816 0.6581633), wk = 0.0032258
k( 97) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0032258
k( 98) = ( 0.3137755 0.3137755 0.6275510), wk = 0.0032258
k( 99) = ( 0.3061224 0.3061224 0.6122449), wk = 0.0032258
k( 100) = ( 0.2984694 0.2984694 0.5969388), wk = 0.0032258
k( 101) = ( 0.2908163 0.2908163 0.5816327), wk = 0.0032258
k( 102) = ( 0.2831633 0.2831633 0.5663265), wk = 0.0032258
k( 103) = ( 0.2755102 0.2755102 0.5510204), wk = 0.0032258
k( 104) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0032258
k( 105) = ( 0.2602041 0.2602041 0.5204082), wk = 0.0032258
k( 106) = ( 0.2525510 0.2525510 0.5051020), wk = 0.0032258
k( 107) = ( 0.2448980 0.2448980 0.4897959), wk = 0.0032258
k( 108) = ( 0.2372449 0.2372449 0.4744898), wk = 0.0032258
k( 109) = ( 0.2295918 0.2295918 0.4591837), wk = 0.0032258
k( 110) = ( 0.2219388 0.2219388 0.4438776), wk = 0.0032258
k( 111) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0032258
k( 112) = ( 0.2066327 0.2066327 0.4132653), wk = 0.0032258
k( 113) = ( 0.1989796 0.1989796 0.3979592), wk = 0.0032258
k( 114) = ( 0.1913265 0.1913265 0.3826531), wk = 0.0032258
k( 115) = ( 0.1836735 0.1836735 0.3673469), wk = 0.0032258
k( 116) = ( 0.1760204 0.1760204 0.3520408), wk = 0.0032258
k( 117) = ( 0.1683673 0.1683674 0.3367347), wk = 0.0032258
k( 118) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0032258
k( 119) = ( 0.1530612 0.1530612 0.3061225), wk = 0.0032258
k( 120) = ( 0.1454082 0.1454082 0.2908163), wk = 0.0032258
k( 121) = ( 0.1377551 0.1377551 0.2755102), wk = 0.0032258
k( 122) = ( 0.1301020 0.1301020 0.2602041), wk = 0.0032258
k( 123) = ( 0.1224490 0.1224490 0.2448980), wk = 0.0032258
k( 124) = ( 0.1147959 0.1147959 0.2295918), wk = 0.0032258
k( 125) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0032258
k( 126) = ( 0.0994898 0.0994898 0.1989796), wk = 0.0032258
k( 127) = ( 0.0918367 0.0918367 0.1836735), wk = 0.0032258
k( 128) = ( 0.0841837 0.0841837 0.1683673), wk = 0.0032258
k( 129) = ( 0.0765306 0.0765306 0.1530612), wk = 0.0032258
k( 130) = ( 0.0688775 0.0688775 0.1377551), wk = 0.0032258
k( 131) = ( 0.0612245 0.0612245 0.1224490), wk = 0.0032258
k( 132) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0032258
k( 133) = ( 0.0459184 0.0459184 0.0918367), wk = 0.0032258
k( 134) = ( 0.0382653 0.0382653 0.0765306), wk = 0.0032258
k( 135) = ( 0.0306122 0.0306122 0.0612245), wk = 0.0032258
k( 136) = ( 0.0229592 0.0229592 0.0459184), wk = 0.0032258
k( 137) = ( 0.0153061 0.0153061 0.0306122), wk = 0.0032258
k( 138) = ( 0.0076531 0.0076531 0.0153061), wk = 0.0032258
k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258
k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258
k( 141) = ( 0.0125000 0.0125000 0.0125000), wk = 0.0032258
k( 142) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0032258
k( 143) = ( 0.0375000 0.0375000 0.0375000), wk = 0.0032258
k( 144) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0032258
k( 145) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0032258
k( 146) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0032258
k( 147) = ( 0.0875000 0.0875000 0.0875000), wk = 0.0032258
k( 148) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0032258
k( 149) = ( 0.1125000 0.1125000 0.1125000), wk = 0.0032258
k( 150) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0032258
k( 151) = ( 0.1375000 0.1375000 0.1375000), wk = 0.0032258
k( 152) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0032258
k( 153) = ( 0.1625000 0.1625000 0.1625000), wk = 0.0032258
k( 154) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0032258
k( 155) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0032258
k( 156) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0032258
k( 157) = ( 0.2125000 0.2125000 0.2125000), wk = 0.0032258
k( 158) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0032258
k( 159) = ( 0.2375000 0.2375000 0.2375000), wk = 0.0032258
k( 160) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032258
k( 161) = ( 0.2625000 0.2625000 0.2625000), wk = 0.0032258
k( 162) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0032258
k( 163) = ( 0.2875000 0.2875000 0.2875000), wk = 0.0032258
k( 164) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0032258
k( 165) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0032258
k( 166) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0032258
k( 167) = ( 0.3375000 0.3375000 0.3375000), wk = 0.0032258
k( 168) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0032258
k( 169) = ( 0.3625000 0.3625000 0.3625000), wk = 0.0032258
k( 170) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0032258
k( 171) = ( 0.3875000 0.3875000 0.3875000), wk = 0.0032258
k( 172) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0032258
k( 173) = ( 0.4125000 0.4125000 0.4125000), wk = 0.0032258
k( 174) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0032258
k( 175) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0032258
k( 176) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0032258
k( 177) = ( 0.4625000 0.4625000 0.4625000), wk = 0.0032258
k( 178) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0032258
k( 179) = ( 0.4875000 0.4875000 0.4875000), wk = 0.0032258
k( 180) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258
k( 181) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258
k( 182) = ( 0.5043103 0.4913793 0.5043103), wk = 0.0032258
k( 183) = ( 0.5086207 0.4827586 0.5086207), wk = 0.0032258
k( 184) = ( 0.5129310 0.4741379 0.5129310), wk = 0.0032258
k( 185) = ( 0.5172414 0.4655172 0.5172414), wk = 0.0032258
k( 186) = ( 0.5215517 0.4568966 0.5215517), wk = 0.0032258
k( 187) = ( 0.5258621 0.4482759 0.5258621), wk = 0.0032258
k( 188) = ( 0.5301724 0.4396552 0.5301724), wk = 0.0032258
k( 189) = ( 0.5344828 0.4310345 0.5344828), wk = 0.0032258
k( 190) = ( 0.5387931 0.4224138 0.5387931), wk = 0.0032258
k( 191) = ( 0.5431035 0.4137931 0.5431035), wk = 0.0032258
k( 192) = ( 0.5474138 0.4051724 0.5474138), wk = 0.0032258
k( 193) = ( 0.5517241 0.3965517 0.5517241), wk = 0.0032258
k( 194) = ( 0.5560345 0.3879310 0.5560345), wk = 0.0032258
k( 195) = ( 0.5603448 0.3793103 0.5603448), wk = 0.0032258
k( 196) = ( 0.5646552 0.3706897 0.5646552), wk = 0.0032258
k( 197) = ( 0.5689655 0.3620690 0.5689655), wk = 0.0032258
k( 198) = ( 0.5732759 0.3534483 0.5732759), wk = 0.0032258
k( 199) = ( 0.5775862 0.3448276 0.5775862), wk = 0.0032258
k( 200) = ( 0.5818965 0.3362069 0.5818965), wk = 0.0032258
k( 201) = ( 0.5862069 0.3275862 0.5862069), wk = 0.0032258
k( 202) = ( 0.5905172 0.3189655 0.5905172), wk = 0.0032258
k( 203) = ( 0.5948276 0.3103448 0.5948276), wk = 0.0032258
k( 204) = ( 0.5991379 0.3017241 0.5991379), wk = 0.0032258
k( 205) = ( 0.6034483 0.2931034 0.6034483), wk = 0.0032258
k( 206) = ( 0.6077586 0.2844828 0.6077586), wk = 0.0032258
k( 207) = ( 0.6120690 0.2758621 0.6120690), wk = 0.0032258
k( 208) = ( 0.6163793 0.2672414 0.6163793), wk = 0.0032258
k( 209) = ( 0.6206897 0.2586207 0.6206897), wk = 0.0032258
k( 210) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0032258
k( 211) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0032258
k( 212) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0032258
k( 213) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0032258
k( 214) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0032258
k( 215) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0032258
k( 216) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0032258
k( 217) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0032258
k( 218) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0032258
k( 219) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0032258
k( 220) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0032258
k( 221) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0032258
k( 222) = ( 0.5441177 0.2500000 0.7058823), wk = 0.0032258
k( 223) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0032258
k( 224) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0032258
k( 225) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0032258
k( 226) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0032258
k( 227) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0032258
k( 228) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032258
k( 229) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0032258
k( 230) = ( 0.5000000 0.2575758 0.7424242), wk = 0.0032258
k( 231) = ( 0.5000000 0.2651515 0.7348485), wk = 0.0032258
k( 232) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0032258
k( 233) = ( 0.5000000 0.2803030 0.7196970), wk = 0.0032258
k( 234) = ( 0.5000000 0.2878788 0.7121212), wk = 0.0032258
k( 235) = ( 0.5000000 0.2954546 0.7045455), wk = 0.0032258
k( 236) = ( 0.5000000 0.3030303 0.6969697), wk = 0.0032258
k( 237) = ( 0.5000000 0.3106061 0.6893939), wk = 0.0032258
k( 238) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0032258
k( 239) = ( 0.5000000 0.3257576 0.6742424), wk = 0.0032258
k( 240) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0032258
k( 241) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0032258
k( 242) = ( 0.5000000 0.3484849 0.6515152), wk = 0.0032258
k( 243) = ( 0.5000000 0.3560606 0.6439394), wk = 0.0032258
k( 244) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0032258
k( 245) = ( 0.5000000 0.3712121 0.6287879), wk = 0.0032258
k( 246) = ( 0.5000000 0.3787879 0.6212121), wk = 0.0032258
k( 247) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0032258
k( 248) = ( 0.5000000 0.3939394 0.6060606), wk = 0.0032258
k( 249) = ( 0.5000000 0.4015152 0.5984848), wk = 0.0032258
k( 250) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0032258
k( 251) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0032258
k( 252) = ( 0.5000000 0.4242424 0.5757576), wk = 0.0032258
k( 253) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0032258
k( 254) = ( 0.5000000 0.4393939 0.5606061), wk = 0.0032258
k( 255) = ( 0.5000000 0.4469697 0.5530303), wk = 0.0032258
k( 256) = ( 0.5000000 0.4545455 0.5454546), wk = 0.0032258
k( 257) = ( 0.5000000 0.4621212 0.5378788), wk = 0.0032258
k( 258) = ( 0.5000000 0.4696970 0.5303030), wk = 0.0032258
k( 259) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0032258
k( 260) = ( 0.5000000 0.4848485 0.5151515), wk = 0.0032258
k( 261) = ( 0.5000000 0.4924242 0.5075758), wk = 0.0032258
k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258
k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032258
k( 264) = ( 0.4956897 0.4956897 0.5086207), wk = 0.0032258
k( 265) = ( 0.4913793 0.4913793 0.5172414), wk = 0.0032258
k( 266) = ( 0.4870690 0.4870690 0.5258621), wk = 0.0032258
k( 267) = ( 0.4827586 0.4827586 0.5344828), wk = 0.0032258
k( 268) = ( 0.4784483 0.4784483 0.5431035), wk = 0.0032258
k( 269) = ( 0.4741379 0.4741379 0.5517241), wk = 0.0032258
k( 270) = ( 0.4698276 0.4698276 0.5603448), wk = 0.0032258
k( 271) = ( 0.4655172 0.4655172 0.5689655), wk = 0.0032258
k( 272) = ( 0.4612069 0.4612069 0.5775862), wk = 0.0032258
k( 273) = ( 0.4568966 0.4568966 0.5862069), wk = 0.0032258
k( 274) = ( 0.4525862 0.4525862 0.5948276), wk = 0.0032258
k( 275) = ( 0.4482759 0.4482759 0.6034483), wk = 0.0032258
k( 276) = ( 0.4439655 0.4439655 0.6120690), wk = 0.0032258
k( 277) = ( 0.4396552 0.4396552 0.6206897), wk = 0.0032258
k( 278) = ( 0.4353448 0.4353448 0.6293103), wk = 0.0032258
k( 279) = ( 0.4310345 0.4310345 0.6379310), wk = 0.0032258
k( 280) = ( 0.4267241 0.4267241 0.6465517), wk = 0.0032258
k( 281) = ( 0.4224138 0.4224138 0.6551724), wk = 0.0032258
k( 282) = ( 0.4181034 0.4181034 0.6637931), wk = 0.0032258
k( 283) = ( 0.4137931 0.4137931 0.6724138), wk = 0.0032258
k( 284) = ( 0.4094828 0.4094828 0.6810345), wk = 0.0032258
k( 285) = ( 0.4051724 0.4051724 0.6896552), wk = 0.0032258
k( 286) = ( 0.4008621 0.4008621 0.6982759), wk = 0.0032258
k( 287) = ( 0.3965517 0.3965517 0.7068966), wk = 0.0032258
k( 288) = ( 0.3922414 0.3922414 0.7155172), wk = 0.0032258
k( 289) = ( 0.3879310 0.3879310 0.7241379), wk = 0.0032258
k( 290) = ( 0.3836207 0.3836207 0.7327586), wk = 0.0032258
k( 291) = ( 0.3793103 0.3793103 0.7413793), wk = 0.0032258
k( 292) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0032258
k( 293) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0032258
k( 294) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0032258
k( 295) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0032258
k( 296) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0032258
k( 297) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0032258
k( 298) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0032258
k( 299) = ( 0.5808823 0.1617647 0.5808823), wk = 0.0032258
k( 300) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0032258
k( 301) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0032258
k( 302) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0032258
k( 303) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0032258
k( 304) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0032258
k( 305) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0032258
k( 306) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0032258
k( 307) = ( 0.5220588 0.0441176 0.5220588), wk = 0.0032258
k( 308) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0032258
k( 309) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0032258
k( 310) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032258
Dense grid: 89625 G-vectors FFT dimensions: ( 64, 64, 64)
Smooth grid: 22995 G-vectors FFT dimensions: ( 40, 40, 40)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.11 Mb ( 164, 44)
NL pseudopotentials 0.13 Mb ( 82, 102)
Each V/rho on FFT grid 0.12 Mb ( 8192)
Each G-vector array 0.02 Mb ( 2492)
G-vector shells 0.00 Mb ( 589)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.44 Mb ( 164, 176)
Each subspace H/S matrix 0.03 Mb ( 44, 44)
Each <psi_i|beta_j> matrix 0.14 Mb ( 102, 2, 44)
The potential is recalculated from file :
./CaBiAu.save/charge-density.dat
Starting wfc are 52 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 3.8 secs
Computing kpt #: 2
total cpu time spent up to now is 4.4 secs
Computing kpt #: 3
total cpu time spent up to now is 5.0 secs
Computing kpt #: 4
total cpu time spent up to now is 5.5 secs
Computing kpt #: 5
total cpu time spent up to now is 6.1 secs
Computing kpt #: 6
total cpu time spent up to now is 6.7 secs
Computing kpt #: 7
total cpu time spent up to now is 7.3 secs
Computing kpt #: 8
total cpu time spent up to now is 7.9 secs
Computing kpt #: 9
total cpu time spent up to now is 8.4 secs
Computing kpt #: 10
total cpu time spent up to now is 9.0 secs
Computing kpt #: 11
total cpu time spent up to now is 9.6 secs
Computing kpt #: 12
total cpu time spent up to now is 10.1 secs
Computing kpt #: 13
total cpu time spent up to now is 10.7 secs
Computing kpt #: 14
total cpu time spent up to now is 11.5 secs
Computing kpt #: 15
total cpu time spent up to now is 12.1 secs
Computing kpt #: 16
total cpu time spent up to now is 12.7 secs
Computing kpt #: 17
total cpu time spent up to now is 13.4 secs
Computing kpt #: 18
total cpu time spent up to now is 14.0 secs
Computing kpt #: 19
total cpu time spent up to now is 14.7 secs
Computing kpt #: 20
total cpu time spent up to now is 15.3 secs
Computing kpt #: 21
total cpu time spent up to now is 16.0 secs
Computing kpt #: 22
total cpu time spent up to now is 16.6 secs
Computing kpt #: 23
total cpu time spent up to now is 17.2 secs
Computing kpt #: 24
total cpu time spent up to now is 17.8 secs
Computing kpt #: 25
total cpu time spent up to now is 18.4 secs
Computing kpt #: 26
total cpu time spent up to now is 19.0 secs
Computing kpt #: 27
total cpu time spent up to now is 19.7 secs
Computing kpt #: 28
total cpu time spent up to now is 20.3 secs
Computing kpt #: 29
total cpu time spent up to now is 21.0 secs
Computing kpt #: 30
total cpu time spent up to now is 21.6 secs
Computing kpt #: 31
total cpu time spent up to now is 22.2 secs
Computing kpt #: 32
total cpu time spent up to now is 22.9 secs
Computing kpt #: 33
total cpu time spent up to now is 23.5 secs
Computing kpt #: 34
total cpu time spent up to now is 24.2 secs
Computing kpt #: 35
total cpu time spent up to now is 24.8 secs
Computing kpt #: 36
total cpu time spent up to now is 25.5 secs
Computing kpt #: 37
total cpu time spent up to now is 26.1 secs
Computing kpt #: 38
total cpu time spent up to now is 26.7 secs
Computing kpt #: 39
total cpu time spent up to now is 27.4 secs
Computing kpt #: 40
total cpu time spent up to now is 28.0 secs
Computing kpt #: 41
total cpu time spent up to now is 28.6 secs
Computing kpt #: 42
total cpu time spent up to now is 29.2 secs
Computing kpt #: 43
total cpu time spent up to now is 29.8 secs
Computing kpt #: 44
total cpu time spent up to now is 30.4 secs
Computing kpt #: 45
total cpu time spent up to now is 31.2 secs
Computing kpt #: 46
total cpu time spent up to now is 32.1 secs
Computing kpt #: 47
total cpu time spent up to now is 33.2 secs
Computing kpt #: 48
total cpu time spent up to now is 34.1 secs
Computing kpt #: 49
total cpu time spent up to now is 34.7 secs
Computing kpt #: 50
total cpu time spent up to now is 35.5 secs
Computing kpt #: 51
total cpu time spent up to now is 36.2 secs
Computing kpt #: 52
total cpu time spent up to now is 37.0 secs
Computing kpt #: 53
total cpu time spent up to now is 37.6 secs
Computing kpt #: 54
total cpu time spent up to now is 38.2 secs
Computing kpt #: 55
total cpu time spent up to now is 38.9 secs
Computing kpt #: 56
total cpu time spent up to now is 39.4 secs
Computing kpt #: 57
total cpu time spent up to now is 40.0 secs
Computing kpt #: 58
total cpu time spent up to now is 40.6 secs
Computing kpt #: 59
total cpu time spent up to now is 41.2 secs
Computing kpt #: 60
total cpu time spent up to now is 41.8 secs
Computing kpt #: 61
total cpu time spent up to now is 42.4 secs
Computing kpt #: 62
total cpu time spent up to now is 43.0 secs
Computing kpt #: 63
total cpu time spent up to now is 43.6 secs
Computing kpt #: 64
total cpu time spent up to now is 44.2 secs
Computing kpt #: 65
total cpu time spent up to now is 44.8 secs
Computing kpt #: 66
total cpu time spent up to now is 45.4 secs
Computing kpt #: 67
total cpu time spent up to now is 46.0 secs
Computing kpt #: 68
total cpu time spent up to now is 46.6 secs
Computing kpt #: 69
total cpu time spent up to now is 47.2 secs
Computing kpt #: 70
total cpu time spent up to now is 47.8 secs
Computing kpt #: 71
total cpu time spent up to now is 48.4 secs
Computing kpt #: 72
total cpu time spent up to now is 49.0 secs
Computing kpt #: 73
total cpu time spent up to now is 49.6 secs
Computing kpt #: 74
total cpu time spent up to now is 50.2 secs
Computing kpt #: 75
total cpu time spent up to now is 50.8 secs
Computing kpt #: 76
total cpu time spent up to now is 51.4 secs
Computing kpt #: 77
total cpu time spent up to now is 52.0 secs
Computing kpt #: 78
total cpu time spent up to now is 52.6 secs
Computing kpt #: 79
total cpu time spent up to now is 53.2 secs
Computing kpt #: 80
total cpu time spent up to now is 53.8 secs
Computing kpt #: 81
total cpu time spent up to now is 54.4 secs
Computing kpt #: 82
total cpu time spent up to now is 55.0 secs
Computing kpt #: 83
total cpu time spent up to now is 55.6 secs
Computing kpt #: 84
total cpu time spent up to now is 56.3 secs
Computing kpt #: 85
total cpu time spent up to now is 57.0 secs
Computing kpt #: 86
total cpu time spent up to now is 57.6 secs
Computing kpt #: 87
total cpu time spent up to now is 58.3 secs
Computing kpt #: 88
total cpu time spent up to now is 58.9 secs
Computing kpt #: 89
total cpu time spent up to now is 59.6 secs
Computing kpt #: 90
total cpu time spent up to now is 60.4 secs
Computing kpt #: 91
total cpu time spent up to now is 61.0 secs
Computing kpt #: 92
total cpu time spent up to now is 61.7 secs
Computing kpt #: 93
total cpu time spent up to now is 62.3 secs
Computing kpt #: 94
total cpu time spent up to now is 63.0 secs
Computing kpt #: 95
total cpu time spent up to now is 63.6 secs
Computing kpt #: 96
total cpu time spent up to now is 64.3 secs
Computing kpt #: 97
total cpu time spent up to now is 64.9 secs
Computing kpt #: 98
total cpu time spent up to now is 65.6 secs
Computing kpt #: 99
total cpu time spent up to now is 66.2 secs
Computing kpt #: 100
total cpu time spent up to now is 66.8 secs
Computing kpt #: 101
total cpu time spent up to now is 67.4 secs
Computing kpt #: 102
total cpu time spent up to now is 68.0 secs
Computing kpt #: 103
total cpu time spent up to now is 68.7 secs
Computing kpt #: 104
total cpu time spent up to now is 69.3 secs
Computing kpt #: 105
total cpu time spent up to now is 69.9 secs
Computing kpt #: 106
total cpu time spent up to now is 70.5 secs
Computing kpt #: 107
total cpu time spent up to now is 71.2 secs
Computing kpt #: 108
total cpu time spent up to now is 71.8 secs
Computing kpt #: 109
total cpu time spent up to now is 72.4 secs
Computing kpt #: 110
total cpu time spent up to now is 73.0 secs
Computing kpt #: 111
total cpu time spent up to now is 73.6 secs
Computing kpt #: 112
total cpu time spent up to now is 74.2 secs
Computing kpt #: 113
total cpu time spent up to now is 74.8 secs
Computing kpt #: 114
total cpu time spent up to now is 75.4 secs
Computing kpt #: 115
total cpu time spent up to now is 76.0 secs
Computing kpt #: 116
total cpu time spent up to now is 76.6 secs
Computing kpt #: 117
total cpu time spent up to now is 77.2 secs
Computing kpt #: 118
total cpu time spent up to now is 77.8 secs
Computing kpt #: 119
total cpu time spent up to now is 78.4 secs
Computing kpt #: 120
total cpu time spent up to now is 79.0 secs
Computing kpt #: 121
total cpu time spent up to now is 79.6 secs
Computing kpt #: 122
total cpu time spent up to now is 80.2 secs
Computing kpt #: 123
total cpu time spent up to now is 80.8 secs
Computing kpt #: 124
total cpu time spent up to now is 81.3 secs
Computing kpt #: 125
total cpu time spent up to now is 81.9 secs
Computing kpt #: 126
total cpu time spent up to now is 82.6 secs
Computing kpt #: 127
total cpu time spent up to now is 83.2 secs
Computing kpt #: 128
total cpu time spent up to now is 83.7 secs
Computing kpt #: 129
total cpu time spent up to now is 84.3 secs
Computing kpt #: 130
total cpu time spent up to now is 84.9 secs
Computing kpt #: 131
total cpu time spent up to now is 85.4 secs
Computing kpt #: 132
total cpu time spent up to now is 86.0 secs
Computing kpt #: 133
total cpu time spent up to now is 86.5 secs
Computing kpt #: 134
total cpu time spent up to now is 87.1 secs
Computing kpt #: 135
total cpu time spent up to now is 87.7 secs
Computing kpt #: 136
total cpu time spent up to now is 88.3 secs
Computing kpt #: 137
total cpu time spent up to now is 89.0 secs
Computing kpt #: 138
total cpu time spent up to now is 89.6 secs
Computing kpt #: 139
total cpu time spent up to now is 90.2 secs
Computing kpt #: 140
total cpu time spent up to now is 90.8 secs
Computing kpt #: 141
total cpu time spent up to now is 91.4 secs
Computing kpt #: 142
total cpu time spent up to now is 92.0 secs
Computing kpt #: 143
total cpu time spent up to now is 92.6 secs
Computing kpt #: 144
total cpu time spent up to now is 93.2 secs
Computing kpt #: 145
total cpu time spent up to now is 93.8 secs
Computing kpt #: 146
total cpu time spent up to now is 94.3 secs
Computing kpt #: 147
total cpu time spent up to now is 98.3 secs
Computing kpt #: 148
total cpu time spent up to now is 98.9 secs
Computing kpt #: 149
total cpu time spent up to now is 99.4 secs
Computing kpt #: 150
total cpu time spent up to now is 100.0 secs
Computing kpt #: 151
total cpu time spent up to now is 100.6 secs
Computing kpt #: 152
total cpu time spent up to now is 101.1 secs
Computing kpt #: 153
total cpu time spent up to now is 101.7 secs
Computing kpt #: 154
total cpu time spent up to now is 102.4 secs
Computing kpt #: 155
total cpu time spent up to now is 103.0 secs
Computing kpt #: 156
total cpu time spent up to now is 103.6 secs
Computing kpt #: 157
total cpu time spent up to now is 104.2 secs
Computing kpt #: 158
total cpu time spent up to now is 104.8 secs
Computing kpt #: 159
total cpu time spent up to now is 105.4 secs
Computing kpt #: 160
total cpu time spent up to now is 106.0 secs
Computing kpt #: 161
total cpu time spent up to now is 106.6 secs
Computing kpt #: 162
total cpu time spent up to now is 107.2 secs
Computing kpt #: 163
total cpu time spent up to now is 107.8 secs
Computing kpt #: 164
total cpu time spent up to now is 108.4 secs
Computing kpt #: 165
total cpu time spent up to now is 109.0 secs
Computing kpt #: 166
total cpu time spent up to now is 109.6 secs
Computing kpt #: 167
total cpu time spent up to now is 110.2 secs
Computing kpt #: 168
total cpu time spent up to now is 110.9 secs
Computing kpt #: 169
total cpu time spent up to now is 111.5 secs
Computing kpt #: 170
total cpu time spent up to now is 112.0 secs
Computing kpt #: 171
total cpu time spent up to now is 112.6 secs
Computing kpt #: 172
total cpu time spent up to now is 113.2 secs
Computing kpt #: 173
total cpu time spent up to now is 113.8 secs
Computing kpt #: 174
total cpu time spent up to now is 114.5 secs
Computing kpt #: 175
total cpu time spent up to now is 115.2 secs
Computing kpt #: 176
total cpu time spent up to now is 115.9 secs
Computing kpt #: 177
total cpu time spent up to now is 116.6 secs
Computing kpt #: 178
total cpu time spent up to now is 117.2 secs
Computing kpt #: 179
total cpu time spent up to now is 117.9 secs
Computing kpt #: 180
total cpu time spent up to now is 118.4 secs
Computing kpt #: 181
total cpu time spent up to now is 119.0 secs
Computing kpt #: 182
total cpu time spent up to now is 119.6 secs
Computing kpt #: 183
total cpu time spent up to now is 120.2 secs
Computing kpt #: 184
total cpu time spent up to now is 120.8 secs
Computing kpt #: 185
total cpu time spent up to now is 121.4 secs
Computing kpt #: 186
total cpu time spent up to now is 122.0 secs
Computing kpt #: 187
total cpu time spent up to now is 122.6 secs
Computing kpt #: 188
total cpu time spent up to now is 123.2 secs
Computing kpt #: 189
total cpu time spent up to now is 123.8 secs
Computing kpt #: 190
total cpu time spent up to now is 124.4 secs
Computing kpt #: 191
total cpu time spent up to now is 125.0 secs
Computing kpt #: 192
total cpu time spent up to now is 125.6 secs
Computing kpt #: 193
total cpu time spent up to now is 126.2 secs
Computing kpt #: 194
total cpu time spent up to now is 126.8 secs
Computing kpt #: 195
total cpu time spent up to now is 127.4 secs
Computing kpt #: 196
total cpu time spent up to now is 128.1 secs
Computing kpt #: 197
total cpu time spent up to now is 128.7 secs
Computing kpt #: 198
total cpu time spent up to now is 129.3 secs
Computing kpt #: 199
total cpu time spent up to now is 130.0 secs
Computing kpt #: 200
total cpu time spent up to now is 130.6 secs
Computing kpt #: 201
total cpu time spent up to now is 131.2 secs
Computing kpt #: 202
total cpu time spent up to now is 131.8 secs
Computing kpt #: 203
total cpu time spent up to now is 132.5 secs
Computing kpt #: 204
total cpu time spent up to now is 133.1 secs
Computing kpt #: 205
total cpu time spent up to now is 133.7 secs
Computing kpt #: 206
total cpu time spent up to now is 134.3 secs
Computing kpt #: 207
total cpu time spent up to now is 135.0 secs
Computing kpt #: 208
total cpu time spent up to now is 135.6 secs
Computing kpt #: 209
total cpu time spent up to now is 136.2 secs
Computing kpt #: 210
total cpu time spent up to now is 136.9 secs
Computing kpt #: 211
total cpu time spent up to now is 137.5 secs
Computing kpt #: 212
total cpu time spent up to now is 138.2 secs
Computing kpt #: 213
total cpu time spent up to now is 138.8 secs
Computing kpt #: 214
total cpu time spent up to now is 139.5 secs
Computing kpt #: 215
total cpu time spent up to now is 140.1 secs
Computing kpt #: 216
total cpu time spent up to now is 140.8 secs
Computing kpt #: 217
total cpu time spent up to now is 141.4 secs
Computing kpt #: 218
total cpu time spent up to now is 142.1 secs
Computing kpt #: 219
total cpu time spent up to now is 142.7 secs
Computing kpt #: 220
total cpu time spent up to now is 143.3 secs
Computing kpt #: 221
total cpu time spent up to now is 143.9 secs
Computing kpt #: 222
total cpu time spent up to now is 144.5 secs
Computing kpt #: 223
total cpu time spent up to now is 145.0 secs
Computing kpt #: 224
total cpu time spent up to now is 145.6 secs
Computing kpt #: 225
total cpu time spent up to now is 146.2 secs
Computing kpt #: 226
total cpu time spent up to now is 146.8 secs
Computing kpt #: 227
total cpu time spent up to now is 147.4 secs
Computing kpt #: 228
total cpu time spent up to now is 148.1 secs
Computing kpt #: 229
total cpu time spent up to now is 148.7 secs
Computing kpt #: 230
total cpu time spent up to now is 149.3 secs
Computing kpt #: 231
total cpu time spent up to now is 149.9 secs
Computing kpt #: 232
total cpu time spent up to now is 150.5 secs
Computing kpt #: 233
total cpu time spent up to now is 151.0 secs
Computing kpt #: 234
total cpu time spent up to now is 151.6 secs
Computing kpt #: 235
total cpu time spent up to now is 152.2 secs
Computing kpt #: 236
total cpu time spent up to now is 152.9 secs
Computing kpt #: 237
total cpu time spent up to now is 153.4 secs
Computing kpt #: 238
total cpu time spent up to now is 154.0 secs
Computing kpt #: 239
total cpu time spent up to now is 154.6 secs
Computing kpt #: 240
total cpu time spent up to now is 155.2 secs
Computing kpt #: 241
total cpu time spent up to now is 155.8 secs
Computing kpt #: 242
total cpu time spent up to now is 156.5 secs
Computing kpt #: 243
total cpu time spent up to now is 157.1 secs
Computing kpt #: 244
total cpu time spent up to now is 157.7 secs
Computing kpt #: 245
total cpu time spent up to now is 158.3 secs
Computing kpt #: 246
total cpu time spent up to now is 158.9 secs
Computing kpt #: 247
total cpu time spent up to now is 159.5 secs
Computing kpt #: 248
total cpu time spent up to now is 160.1 secs
Computing kpt #: 249
total cpu time spent up to now is 160.7 secs
Computing kpt #: 250
total cpu time spent up to now is 161.3 secs
Computing kpt #: 251
total cpu time spent up to now is 162.0 secs
Computing kpt #: 252
total cpu time spent up to now is 162.6 secs
Computing kpt #: 253
total cpu time spent up to now is 163.2 secs
Computing kpt #: 254
total cpu time spent up to now is 163.8 secs
Computing kpt #: 255
total cpu time spent up to now is 164.4 secs
Computing kpt #: 256
total cpu time spent up to now is 165.1 secs
Computing kpt #: 257
total cpu time spent up to now is 165.7 secs
Computing kpt #: 258
total cpu time spent up to now is 166.3 secs
Computing kpt #: 259
total cpu time spent up to now is 166.8 secs
Computing kpt #: 260
total cpu time spent up to now is 167.4 secs
Computing kpt #: 261
total cpu time spent up to now is 168.0 secs
Computing kpt #: 262
total cpu time spent up to now is 168.6 secs
Computing kpt #: 263
total cpu time spent up to now is 169.2 secs
Computing kpt #: 264
total cpu time spent up to now is 169.8 secs
Computing kpt #: 265
total cpu time spent up to now is 170.4 secs
Computing kpt #: 266
total cpu time spent up to now is 171.0 secs
Computing kpt #: 267
total cpu time spent up to now is 171.7 secs
Computing kpt #: 268
total cpu time spent up to now is 172.3 secs
Computing kpt #: 269
total cpu time spent up to now is 172.9 secs
Computing kpt #: 270
total cpu time spent up to now is 173.4 secs
Computing kpt #: 271
total cpu time spent up to now is 174.0 secs
Computing kpt #: 272
total cpu time spent up to now is 174.6 secs
Computing kpt #: 273
total cpu time spent up to now is 175.2 secs
Computing kpt #: 274
total cpu time spent up to now is 175.8 secs
Computing kpt #: 275
total cpu time spent up to now is 176.4 secs
Computing kpt #: 276
total cpu time spent up to now is 177.0 secs
Computing kpt #: 277
total cpu time spent up to now is 177.7 secs
Computing kpt #: 278
total cpu time spent up to now is 178.3 secs
Computing kpt #: 279
total cpu time spent up to now is 178.9 secs
Computing kpt #: 280
total cpu time spent up to now is 179.4 secs
Computing kpt #: 281
total cpu time spent up to now is 180.1 secs
Computing kpt #: 282
total cpu time spent up to now is 180.7 secs
Computing kpt #: 283
total cpu time spent up to now is 181.3 secs
Computing kpt #: 284
total cpu time spent up to now is 181.9 secs
Computing kpt #: 285
total cpu time spent up to now is 182.6 secs
Computing kpt #: 286
total cpu time spent up to now is 183.2 secs
Computing kpt #: 287
total cpu time spent up to now is 183.9 secs
Computing kpt #: 288
total cpu time spent up to now is 184.5 secs
Computing kpt #: 289
total cpu time spent up to now is 185.1 secs
Computing kpt #: 290
total cpu time spent up to now is 185.8 secs
Computing kpt #: 291
total cpu time spent up to now is 186.4 secs
Computing kpt #: 292
total cpu time spent up to now is 187.1 secs
Computing kpt #: 293
total cpu time spent up to now is 187.7 secs
Computing kpt #: 294
total cpu time spent up to now is 188.4 secs
Computing kpt #: 295
total cpu time spent up to now is 189.0 secs
Computing kpt #: 296
total cpu time spent up to now is 189.7 secs
Computing kpt #: 297
total cpu time spent up to now is 190.3 secs
Computing kpt #: 298
total cpu time spent up to now is 191.0 secs
Computing kpt #: 299
total cpu time spent up to now is 191.7 secs
Computing kpt #: 300
total cpu time spent up to now is 192.3 secs
Computing kpt #: 301
total cpu time spent up to now is 193.0 secs
Computing kpt #: 302
total cpu time spent up to now is 193.6 secs
Computing kpt #: 303
total cpu time spent up to now is 194.2 secs
Computing kpt #: 304
total cpu time spent up to now is 194.9 secs
Computing kpt #: 305
total cpu time spent up to now is 195.5 secs
Computing kpt #: 306
total cpu time spent up to now is 196.1 secs
Computing kpt #: 307
total cpu time spent up to now is 196.7 secs
Computing kpt #: 308
total cpu time spent up to now is 197.3 secs
Computing kpt #: 309
total cpu time spent up to now is 197.9 secs
Computing kpt #: 310
total cpu time spent up to now is 198.8 secs
ethr = 2.78E-08, avg # of iterations = 25.7
total cpu time spent up to now is 198.8 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 2837 PWs) bands (ev):
-30.5296 -30.5296 -13.4155 -13.4155 -13.4155 -13.4155 -11.8269 -11.8269
-11.4508 -11.4508 -11.4508 -11.4508 -10.4439 -10.4439 -10.4439 -10.4439
-10.4414 -10.4414 -0.8571 -0.8571 4.8798 4.8798 4.8798 4.8798
5.6734 5.6734 6.3892 6.3892 6.3892 6.3892 9.1874 9.1874
10.0667 10.0667 11.6433 11.6433 11.6433 11.6433 11.7898 11.7898
12.5344 12.5344 12.5344 12.5344
k = 0.0109-0.0063 0.0089 ( 2813 PWs) bands (ev):
-30.5296 -30.5296 -13.4155 -13.4155 -13.4155 -13.4155 -11.8268 -11.8268
-11.4508 -11.4508 -11.4507 -11.4507 -10.4439 -10.4439 -10.4438 -10.4438
-10.4414 -10.4414 -0.8562 -0.8562 4.8764 4.8764 4.8832 4.8832
5.6731 5.6731 6.3835 6.3835 6.3948 6.3948 9.1798 9.1798
10.0674 10.0674 11.6019 11.6019 11.6419 11.6419 11.8257 11.8257
12.5315 12.5315 12.5486 12.5486
k = 0.0217-0.0126 0.0177 ( 2806 PWs) bands (ev):
-30.5296 -30.5296 -13.4156 -13.4156 -13.4155 -13.4155 -11.8268 -11.8268
-11.4508 -11.4508 -11.4507 -11.4507 -10.4439 -10.4439 -10.4437 -10.4437
-10.4414 -10.4414 -0.8534 -0.8534 4.8728 4.8728 4.8866 4.8866
5.6720 5.6720 6.3778 6.3778 6.4002 6.4002 9.1575 9.1575
10.0692 10.0692 11.5229 11.5229 11.6383 11.6383 11.8873 11.8873
12.5356 12.5356 12.5784 12.5784
k = 0.0326-0.0188 0.0266 ( 2814 PWs) bands (ev):
-30.5296 -30.5296 -13.4156 -13.4156 -13.4155 -13.4155 -11.8270 -11.8270
-11.4510 -11.4510 -11.4508 -11.4508 -10.4439 -10.4439 -10.4435 -10.4435
-10.4414 -10.4414 -0.8488 -0.8488 4.8692 4.8692 4.8900 4.8900
5.6701 5.6701 6.3720 6.3720 6.4055 6.4055 9.1220 9.1220
10.0704 10.0704 11.4345 11.4345 11.6341 11.6341 11.9444 11.9444
12.5472 12.5472 12.6244 12.6244
k = 0.0435-0.0251 0.0355 ( 2814 PWs) bands (ev):
-30.5296 -30.5296 -13.4157 -13.4157 -13.4155 -13.4155 -11.8271 -11.8271
-11.4512 -11.4512 -11.4508 -11.4508 -10.4439 -10.4439 -10.4432 -10.4432
-10.4413 -10.4413 -0.8425 -0.8425 4.8655 4.8655 4.8935 4.8935
5.6676 5.6676 6.3664 6.3664 6.4106 6.4106 9.0753 9.0753
10.0690 10.0690 11.3427 11.3427 11.6313 11.6313 11.9883 11.9883
12.5694 12.5694 12.6851 12.6851
k = 0.0543-0.0314 0.0444 ( 2822 PWs) bands (ev):
-30.5296 -30.5296 -13.4157 -13.4157 -13.4155 -13.4155 -11.8273 -11.8273
-11.4515 -11.4515 -11.4509 -11.4509 -10.4439 -10.4439 -10.4429 -10.4429
-10.4413 -10.4413 -0.8343 -0.8343 4.8615 4.8615 4.8970 4.8970
5.6643 5.6643 6.3609 6.3609 6.4154 6.4154 9.0196 9.0196
10.0632 10.0632 11.2495 11.2495 11.6318 11.6318 12.0151 12.0151
12.6050 12.6050 12.7579 12.7579
k = 0.0652-0.0377 0.0532 ( 2822 PWs) bands (ev):
-30.5296 -30.5296 -13.4158 -13.4158 -13.4155 -13.4155 -11.8275 -11.8275
-11.4518 -11.4518 -11.4510 -11.4510 -10.4438 -10.4438 -10.4425 -10.4425
-10.4412 -10.4412 -0.8244 -0.8244 4.8574 4.8574 4.9006 4.9006
5.6604 5.6604 6.3556 6.3556 6.4200 6.4200 8.9568 8.9568
10.0514 10.0514 11.1560 11.1560 11.6369 11.6369 12.0244 12.0244
12.6550 12.6550 12.8407 12.8407
k = 0.0761-0.0439 0.0621 ( 2814 PWs) bands (ev):
-30.5295 -30.5295 -13.4159 -13.4159 -13.4155 -13.4155 -11.8277 -11.8277
-11.4522 -11.4522 -11.4511 -11.4511 -10.4438 -10.4438 -10.4420 -10.4420
-10.4411 -10.4411 -0.8129 -0.8129 4.8530 4.8530 4.9043 4.9043
5.6559 5.6559 6.3505 6.3505 6.4244 6.4244 8.8887 8.8887
10.0327 10.0327 11.0628 11.0628 11.6469 11.6469 12.0189 12.0189
12.7177 12.7177 12.9314 12.9314
k = 0.0870-0.0502 0.0710 ( 2818 PWs) bands (ev):
-30.5295 -30.5295 -13.4159 -13.4159 -13.4154 -13.4154 -11.8280 -11.8280
-11.4526 -11.4526 -11.4512 -11.4512 -10.4438 -10.4438 -10.4415 -10.4415
-10.4410 -10.4410 -0.7996 -0.7996 4.8483 4.8483 4.9081 4.9081
5.6508 5.6508 6.3459 6.3459 6.4285 6.4285 8.8167 8.8167
10.0069 10.0069 10.9703 10.9703 11.6616 11.6616 12.0027 12.0027
12.7904 12.7904 13.0283 13.0283
k = 0.0978-0.0565 0.0799 ( 2818 PWs) bands (ev):
-30.5295 -30.5295 -13.4160 -13.4160 -13.4154 -13.4154 -11.8283 -11.8283
-11.4531 -11.4531 -11.4513 -11.4513 -10.4438 -10.4438 -10.4409 -10.4409
-10.4409 -10.4409 -0.7849 -0.7849 4.8433 4.8433 4.9120 4.9120
5.6452 5.6452 6.3417 6.3417 6.4324 6.4324 8.7420 8.7420
9.9741 9.9741 10.8789 10.8789 11.6794 11.6794 11.9803 11.9803
12.8705 12.8705 13.1297 13.1297
k = 0.1087-0.0628 0.0887 ( 2814 PWs) bands (ev):
-30.5295 -30.5295 -13.4161 -13.4161 -13.4154 -13.4154 -11.8286 -11.8286
-11.4536 -11.4536 -11.4514 -11.4514 -10.4438 -10.4438 -10.4408 -10.4408
-10.4403 -10.4403 -0.7686 -0.7686 4.8379 4.8379 4.9160 4.9160
5.6391 5.6391 6.3379 6.3379 6.4360 6.4360 8.6654 8.6654
9.9351 9.9351 10.7888 10.7888 11.6977 11.6977 11.9565 11.9565
12.9561 12.9561 13.2344 13.2344
k = 0.1196-0.0690 0.0976 ( 2826 PWs) bands (ev):
-30.5294 -30.5294 -13.4162 -13.4162 -13.4154 -13.4154 -11.8290 -11.8290
-11.4542 -11.4542 -11.4516 -11.4516 -10.4437 -10.4437 -10.4406 -10.4406
-10.4397 -10.4397 -0.7509 -0.7509 4.8322 4.8322 4.9201 4.9201
5.6326 5.6326 6.3348 6.3348 6.4394 6.4394 8.5877 8.5878
9.8906 9.8906 10.7001 10.7001 11.7118 11.7118 11.9371 11.9371
13.0456 13.0456 13.3412 13.3412
k = 0.1304-0.0753 0.1065 ( 2826 PWs) bands (ev):
-30.5294 -30.5294 -13.4163 -13.4163 -13.4154 -13.4154 -11.8293 -11.8293
-11.4547 -11.4547 -11.4517 -11.4517 -10.4437 -10.4437 -10.4405 -10.4405
-10.4390 -10.4390 -0.7319 -0.7319 4.8261 4.8261 4.9244 4.9244
5.6259 5.6259 6.3322 6.3322 6.4425 6.4425 8.5096 8.5096
9.8415 9.8415 10.6130 10.6130 11.7157 11.7157 11.9288 11.9288
13.1380 13.1380 13.4491 13.4491
k = 0.1413-0.0816 0.1154 ( 2826 PWs) bands (ev):
-30.5294 -30.5294 -13.4163 -13.4163 -13.4154 -13.4154 -11.8297 -11.8297
-11.4553 -11.4553 -11.4519 -11.4519 -10.4437 -10.4437 -10.4403 -10.4403
-10.4384 -10.4384 -0.7116 -0.7116 4.8197 4.8197 4.9288 4.9288
5.6189 5.6189 6.3303 6.3303 6.4454 6.4454 8.4315 8.4315
9.7887 9.7887 10.5277 10.5277 11.7049 11.7049 11.9364 11.9364
13.2327 13.2327 13.5570 13.5570
k = 0.1522-0.0879 0.1242 ( 2842 PWs) bands (ev):
-30.5294 -30.5294 -13.4164 -13.4164 -13.4154 -13.4154 -11.8301 -11.8301
-11.4560 -11.4560 -11.4521 -11.4521 -10.4437 -10.4437 -10.4401 -10.4401
-10.4378 -10.4378 -0.6902 -0.6902 4.8129 4.8129 4.9333 4.9333
5.6118 5.6118 6.3291 6.3291 6.4481 6.4481 8.3536 8.3536
9.7331 9.7331 10.4443 10.4443 11.6814 11.6814 11.9579 11.9579
13.3286 13.3286 13.6636 13.6636
k = 0.1630-0.0941 0.1331 ( 2842 PWs) bands (ev):
-30.5293 -30.5293 -13.4165 -13.4165 -13.4154 -13.4154 -11.8305 -11.8305
-11.4566 -11.4566 -11.4522 -11.4522 -10.4437 -10.4437 -10.4399 -10.4399
-10.4372 -10.4372 -0.6677 -0.6677 4.8059 4.8059 4.9379 4.9379
5.6047 5.6047 6.3286 6.3287 6.4507 6.4507 8.2764 8.2764
9.6753 9.6753 10.3627 10.3627 11.6500 11.6500 11.9884 11.9884
13.4253 13.4253 13.7666 13.7666
k = 0.1739-0.1004 0.1420 ( 2842 PWs) bands (ev):
-30.5293 -30.5293 -13.4165 -13.4165 -13.4154 -13.4154 -11.8308 -11.8308
-11.4572 -11.4572 -11.4524 -11.4524 -10.4437 -10.4437 -10.4397 -10.4397
-10.4367 -10.4367 -0.6443 -0.6443 4.7986 4.7986 4.9426 4.9426
5.5976 5.5976 6.3289 6.3289 6.4531 6.4531 8.2000 8.2000
9.6161 9.6161 10.2832 10.2832 11.6149 11.6149 12.0239 12.0239
13.5219 13.5219 13.8531 13.8531
k = 0.1848-0.1067 0.1509 ( 2850 PWs) bands (ev):
-30.5293 -30.5293 -13.4166 -13.4166 -13.4154 -13.4154 -11.8312 -11.8312
-11.4578 -11.4578 -11.4526 -11.4526 -10.4437 -10.4437 -10.4395 -10.4395
-10.4362 -10.4362 -0.6201 -0.6201 4.7912 4.7912 4.9474 4.9474
5.5906 5.5906 6.3299 6.3299 6.4553 6.4553 8.1246 8.1246
9.5558 9.5558 10.2058 10.2058 11.5782 11.5782 12.0620 12.0620
13.6173 13.6173 13.8794 13.8794
k = 0.1957-0.1130 0.1597 ( 2850 PWs) bands (ev):
-30.5292 -30.5292 -13.4166 -13.4166 -13.4154 -13.4154 -11.8316 -11.8316
-11.4584 -11.4584 -11.4528 -11.4528 -10.4437 -10.4437 -10.4393 -10.4393
-10.4357 -10.4357 -0.5952 -0.5952 4.7837 4.7837 4.9523 4.9523
5.5838 5.5838 6.3317 6.3317 6.4574 6.4574 8.0503 8.0503
9.4951 9.4951 10.1306 10.1306 11.5414 11.5414 12.1011 12.1011
13.7099 13.7099 13.8825 13.8825
k = 0.2065-0.1192 0.1686 ( 2858 PWs) bands (ev):
-30.5292 -30.5292 -13.4166 -13.4166 -13.4154 -13.4154 -11.8319 -11.8319
-11.4590 -11.4590 -11.4530 -11.4530 -10.4437 -10.4437 -10.4391 -10.4391
-10.4354 -10.4354 -0.5698 -0.5698 4.7764 4.7764 4.9573 4.9573
5.5771 5.5771 6.3342 6.3342 6.4595 6.4595 7.9772 7.9772
9.4342 9.4342 10.0575 10.0575 11.5053 11.5053 12.1404 12.1404
13.7944 13.7944 13.8882 13.8882
k = 0.2174-0.1255 0.1775 ( 2858 PWs) bands (ev):
-30.5291 -30.5291 -13.4166 -13.4166 -13.4154 -13.4154 -11.8323 -11.8323
-11.4596 -11.4596 -11.4532 -11.4532 -10.4438 -10.4438 -10.4389 -10.4389
-10.4350 -10.4350 -0.5439 -0.5439 4.7692 4.7692 4.9624 4.9624
5.5707 5.5707 6.3373 6.3373 6.4615 6.4615 7.9053 7.9053
9.3736 9.3736 9.9867 9.9867 11.4705 11.4705 12.1792 12.1792
13.8456 13.8456 13.9232 13.9232
k = 0.2283-0.1318 0.1864 ( 2866 PWs) bands (ev):
-30.5291 -30.5291 -13.4166 -13.4166 -13.4154 -13.4154 -11.8326 -11.8326
-11.4601 -11.4601 -11.4534 -11.4534 -10.4438 -10.4438 -10.4386 -10.4386
-10.4348 -10.4348 -0.5178 -0.5178 4.7624 4.7624 4.9676 4.9676
5.5645 5.5645 6.3412 6.3412 6.4635 6.4635 7.8347 7.8347
9.3134 9.3134 9.9182 9.9182 11.4372 11.4372 12.2170 12.2170
13.8546 13.8546 13.9957 13.9957
k = 0.2391-0.1381 0.1952 ( 2858 PWs) bands (ev):
-30.5291 -30.5291 -13.4165 -13.4165 -13.4154 -13.4154 -11.8329 -11.8329
-11.4606 -11.4606 -11.4536 -11.4536 -10.4438 -10.4438 -10.4384 -10.4384
-10.4346 -10.4346 -0.4915 -0.4915 4.7562 4.7562 4.9729 4.9729
5.5585 5.5585 6.3456 6.3456 6.4656 6.4656 7.7654 7.7654
9.2539 9.2539 9.8521 9.8521 11.4057 11.4057 12.2532 12.2532
13.8538 13.8538 14.0727 14.0727
k = 0.2500-0.1443 0.2041 ( 2858 PWs) bands (ev):
-30.5290 -30.5290 -13.4165 -13.4165 -13.4154 -13.4154 -11.8331 -11.8331
-11.4611 -11.4611 -11.4538 -11.4538 -10.4438 -10.4438 -10.4382 -10.4382
-10.4345 -10.4345 -0.4652 -0.4652 4.7506 4.7506 4.9782 4.9782
5.5527 5.5527 6.3506 6.3506 6.4677 6.4677 7.6974 7.6974
9.1953 9.1953 9.7884 9.7884 11.3762 11.3762 12.2875 12.2875
13.8509 13.8509 14.1455 14.1455
k = 0.2609-0.1506 0.2130 ( 2858 PWs) bands (ev):
-30.5290 -30.5290 -13.4164 -13.4164 -13.4153 -13.4153 -11.8334 -11.8334
-11.4616 -11.4616 -11.4539 -11.4539 -10.4438 -10.4438 -10.4380 -10.4380
-10.4345 -10.4345 -0.4389 -0.4389 4.7459 4.7459 4.9837 4.9837
5.5470 5.5470 6.3561 6.3561 6.4699 6.4699 7.6308 7.6308
9.1379 9.1379 9.7271 9.7271 11.3488 11.3488 12.3194 12.3194
13.8471 13.8471 14.2121 14.2121
k = 0.2717-0.1569 0.2219 ( 2862 PWs) bands (ev):
-30.5289 -30.5289 -13.4163 -13.4163 -13.4153 -13.4153 -11.8336 -11.8336
-11.4621 -11.4621 -11.4541 -11.4541 -10.4439 -10.4439 -10.4377 -10.4377
-10.4346 -10.4346 -0.4130 -0.4130 4.7422 4.7422 4.9892 4.9892
5.5412 5.5412 6.3620 6.3620 6.4724 6.4724 7.5656 7.5656
9.0817 9.0817 9.6683 9.6683 11.3235 11.3235 12.3484 12.3484
13.8431 13.8431 14.2712 14.2712
k = 0.2826-0.1632 0.2307 ( 2862 PWs) bands (ev):
-30.5289 -30.5289 -13.4162 -13.4162 -13.4153 -13.4153 -11.8338 -11.8338
-11.4625 -11.4625 -11.4543 -11.4543 -10.4439 -10.4439 -10.4375 -10.4375
-10.4347 -10.4347 -0.3874 -0.3874 4.7397 4.7397 4.9949 4.9949
5.5355 5.5355 6.3683 6.3683 6.4750 6.4750 7.5018 7.5018
9.0269 9.0269 9.6120 9.6120 11.3003 11.3003 12.3742 12.3742
13.8388 13.8388 14.3223 14.3223
k = 0.2935-0.1694 0.2396 ( 2862 PWs) bands (ev):
-30.5289 -30.5289 -13.4161 -13.4161 -13.4153 -13.4153 -11.8340 -11.8340
-11.4629 -11.4629 -11.4544 -11.4544 -10.4439 -10.4439 -10.4373 -10.4373
-10.4349 -10.4349 -0.3623 -0.3623 4.7384 4.7384 5.0007 5.0007
5.5296 5.5296 6.3748 6.3748 6.4780 6.4780 7.4395 7.4395
8.9736 8.9736 9.5583 9.5583 11.2794 11.2794 12.3963 12.3963
13.8345 13.8345 14.3651 14.3651
k = 0.3043-0.1757 0.2485 ( 2862 PWs) bands (ev):
-30.5288 -30.5288 -13.4159 -13.4159 -13.4153 -13.4153 -11.8341 -11.8341
-11.4633 -11.4633 -11.4546 -11.4546 -10.4439 -10.4439 -10.4371 -10.4371
-10.4352 -10.4352 -0.3379 -0.3379 4.7384 4.7384 5.0066 5.0066
5.5234 5.5234 6.3815 6.3815 6.4813 6.4813 7.3787 7.3787
8.9220 8.9220 9.5071 9.5071 11.2606 11.2606 12.4143 12.4143
13.8302 13.8302 14.3997 14.3997
k = 0.3152-0.1820 0.2574 ( 2854 PWs) bands (ev):
-30.5288 -30.5288 -13.4158 -13.4158 -13.4153 -13.4153 -11.8342 -11.8342
-11.4636 -11.4636 -11.4548 -11.4548 -10.4440 -10.4440 -10.4369 -10.4369
-10.4355 -10.4355 -0.3142 -0.3142 4.7399 4.7399 5.0128 5.0128
5.5168 5.5168 6.3883 6.3883 6.4849 6.4849 7.3195 7.3195
8.8722 8.8722 9.4586 9.4586 11.2439 11.2439 12.4281 12.4281
13.8260 13.8260 14.4266 14.4266
k = 0.3261-0.1883 0.2662 ( 2854 PWs) bands (ev):
-30.5287 -30.5287 -13.4156 -13.4156 -13.4153 -13.4153 -11.8343 -11.8343
-11.4639 -11.4639 -11.4549 -11.4549 -10.4440 -10.4440 -10.4367 -10.4367
-10.4359 -10.4359 -0.2914 -0.2914 4.7429 4.7429 5.0193 5.0193
5.5096 5.5096 6.3952 6.3952 6.4891 6.4891 7.2619 7.2619
8.8243 8.8243 9.4127 9.4127 11.2293 11.2293 12.4372 12.4372
13.8219 13.8219 14.4464 14.4464
k = 0.3370-0.1945 0.2751 ( 2854 PWs) bands (ev):
-30.5287 -30.5287 -13.4155 -13.4155 -13.4152 -13.4152 -11.8344 -11.8344
-11.4642 -11.4642 -11.4550 -11.4550 -10.4440 -10.4440 -10.4366 -10.4366
-10.4364 -10.4364 -0.2695 -0.2695 4.7473 4.7473 5.0261 5.0261
5.5019 5.5019 6.4019 6.4019 6.4936 6.4936 7.2062 7.2062
8.7784 8.7784 9.3694 9.3694 11.2167 11.2167 12.4417 12.4417
13.8179 13.8179 14.4603 14.4603
k = 0.3478-0.2008 0.2840 ( 2854 PWs) bands (ev):
-30.5287 -30.5287 -13.4154 -13.4154 -13.4151 -13.4151 -11.8345 -11.8345
-11.4644 -11.4644 -11.4552 -11.4552 -10.4440 -10.4440 -10.4369 -10.4369
-10.4364 -10.4364 -0.2487 -0.2487 4.7531 4.7531 5.0333 5.0333
5.4933 5.4933 6.4086 6.4086 6.4986 6.4986 7.1523 7.1523
8.7346 8.7346 9.3288 9.3288 11.2060 11.2060 12.4416 12.4416
13.8140 13.8140 14.4690 14.4690
k = 0.3587-0.2071 0.2929 ( 2862 PWs) bands (ev):
-30.5286 -30.5286 -13.4154 -13.4154 -13.4150 -13.4150 -11.8345 -11.8345
-11.4647 -11.4647 -11.4553 -11.4553 -10.4440 -10.4440 -10.4374 -10.4374
-10.4362 -10.4362 -0.2290 -0.2290 4.7601 4.7601 5.0411 5.0411
5.4839 5.4839 6.4152 6.4152 6.5040 6.5040 7.1005 7.1005
8.6931 8.6931 9.2910 9.2910 11.1971 11.1971 12.4372 12.4372
13.8103 13.8103 14.4739 14.4739
k = 0.3696-0.2134 0.3017 ( 2854 PWs) bands (ev):
-30.5286 -30.5286 -13.4153 -13.4153 -13.4148 -13.4148 -11.8345 -11.8345
-11.4648 -11.4648 -11.4554 -11.4554 -10.4441 -10.4441 -10.4379 -10.4379
-10.4361 -10.4361 -0.2106 -0.2106 4.7683 4.7683 5.0495 5.0495
5.4734 5.4734 6.4216 6.4216 6.5097 6.5097 7.0508 7.0508
8.6540 8.6540 9.2558 9.2558 11.1900 11.1900 12.4288 12.4288
13.8067 13.8067 14.4759 14.4759
k = 0.3804-0.2196 0.3106 ( 2862 PWs) bands (ev):
-30.5286 -30.5286 -13.4153 -13.4153 -13.4147 -13.4147 -11.8346 -11.8346
-11.4650 -11.4650 -11.4555 -11.4555 -10.4441 -10.4441 -10.4384 -10.4384
-10.4359 -10.4359 -0.1934 -0.1934 4.7774 4.7774 5.0586 5.0586
5.4618 5.4618 6.4280 6.4280 6.5156 6.5156 7.0035 7.0035
8.6174 8.6174 9.2235 9.2235 11.1843 11.1843 12.4170 12.4170
13.8034 13.8034 14.4757 14.4757
k = 0.3913-0.2259 0.3195 ( 2854 PWs) bands (ev):
-30.5285 -30.5285 -13.4153 -13.4153 -13.4145 -13.4145 -11.8346 -11.8346
-11.4652 -11.4652 -11.4556 -11.4556 -10.4441 -10.4441 -10.4390 -10.4390
-10.4358 -10.4358 -0.1775 -0.1775 4.7871 4.7871 5.0687 5.0687
5.4491 5.4491 6.4344 6.4344 6.5217 6.5217 6.9588 6.9588
8.5835 8.5835 9.1938 9.1938 11.1801 11.1801 12.4026 12.4026
13.8003 13.8003 14.4741 14.4741
k = 0.4022-0.2322 0.3284 ( 2854 PWs) bands (ev):
-30.5285 -30.5285 -13.4153 -13.4153 -13.4143 -13.4143 -11.8346 -11.8346
-11.4653 -11.4653 -11.4557 -11.4557 -10.4441 -10.4441 -10.4395 -10.4395
-10.4357 -10.4357 -0.1631 -0.1631 4.7972 4.7972 5.0798 5.0798
5.4351 5.4351 6.4408 6.4408 6.5276 6.5276 6.9168 6.9168
8.5522 8.5522 9.1670 9.1670 11.1772 11.1772 12.3863 12.3863
13.7974 13.7974 14.4711 14.4711
k = 0.4130-0.2385 0.3372 ( 2854 PWs) bands (ev):
-30.5285 -30.5285 -13.4153 -13.4153 -13.4142 -13.4142 -11.8346 -11.8346
-11.4654 -11.4654 -11.4558 -11.4558 -10.4441 -10.4441 -10.4400 -10.4400
-10.4356 -10.4356 -0.1501 -0.1501 4.8072 4.8072 5.0922 5.0922
5.4198 5.4198 6.4473 6.4473 6.5333 6.5333 6.8778 6.8778
8.5239 8.5239 9.1429 9.1429 11.1753 11.1753 12.3689 12.3689
13.7947 13.7947 14.4671 14.4671
k = 0.4239-0.2447 0.3461 ( 2866 PWs) bands (ev):
-30.5285 -30.5285 -13.4153 -13.4153 -13.4140 -13.4140 -11.8346 -11.8346
-11.4655 -11.4655 -11.4559 -11.4559 -10.4441 -10.4441 -10.4405 -10.4405
-10.4355 -10.4355 -0.1385 -0.1385 4.8169 4.8169 5.1058 5.1058
5.4034 5.4034 6.4539 6.4539 6.5386 6.5386 6.8420 6.8420
8.4985 8.4985 9.1217 9.1217 11.1742 11.1742 12.3513 12.3513
13.7922 13.7922 14.4623 14.4623
k = 0.4348-0.2510 0.3550 ( 2862 PWs) bands (ev):
-30.5285 -30.5285 -13.4153 -13.4153 -13.4139 -13.4139 -11.8345 -11.8345
-11.4656 -11.4656 -11.4560 -11.4560 -10.4441 -10.4441 -10.4409 -10.4409
-10.4354 -10.4354 -0.1285 -0.1285 4.8260 4.8260 5.1207 5.1207
5.3858 5.3858 6.4606 6.4606 6.5433 6.5433 6.8097 6.8097
8.4763 8.4763 9.1032 9.1032 11.1738 11.1738 12.3341 12.3341
13.7901 13.7901 14.4574 14.4574
k = 0.4457-0.2573 0.3639 ( 2854 PWs) bands (ev):
-30.5284 -30.5284 -13.4153 -13.4153 -13.4138 -13.4138 -11.8345 -11.8345
-11.4656 -11.4656 -11.4560 -11.4560 -10.4441 -10.4441 -10.4413 -10.4413
-10.4353 -10.4353 -0.1200 -0.1200 4.8340 4.8340 5.1368 5.1368
5.3674 5.3674 6.4672 6.4672 6.5473 6.5473 6.7813 6.7813
8.4573 8.4573 9.0876 9.0876 11.1740 11.1740 12.3183 12.3183
13.7884 13.7884 14.4526 14.4526
k = 0.4565-0.2636 0.3727 ( 2846 PWs) bands (ev):
-30.5284 -30.5284 -13.4153 -13.4153 -13.4137 -13.4137 -11.8344 -11.8344
-11.4656 -11.4656 -11.4560 -11.4560 -10.4441 -10.4441 -10.4416 -10.4416
-10.4353 -10.4353 -0.1129 -0.1129 4.8410 4.8410 5.1538 5.1538
5.3484 5.3484 6.4737 6.4737 6.5504 6.5504 6.7570 6.7570
8.4416 8.4416 9.0748 9.0748 11.1744 11.1744 12.3043 12.3043
13.7869 13.7869 14.4483 14.4483
k = 0.4674-0.2698 0.3816 ( 2862 PWs) bands (ev):
-30.5284 -30.5284 -13.4153 -13.4153 -13.4136 -13.4136 -11.8345 -11.8345
-11.4657 -11.4657 -11.4561 -11.4561 -10.4441 -10.4441 -10.4418 -10.4418
-10.4352 -10.4352 -0.1075 -0.1075 4.8465 4.8465 5.1712 5.1712
5.3295 5.3295 6.4797 6.4797 6.5525 6.5525 6.7375 6.7375
8.4292 8.4292 9.0649 9.0649 11.1749 11.1749 12.2929 12.2929
13.7856 13.7856 14.4447 14.4447
k = 0.4783-0.2761 0.3905 ( 2874 PWs) bands (ev):
-30.5284 -30.5284 -13.4153 -13.4153 -13.4136 -13.4136 -11.8345 -11.8345
-11.4658 -11.4658 -11.4561 -11.4561 -10.4441 -10.4441 -10.4420 -10.4420
-10.4352 -10.4352 -0.1036 -0.1036 4.8505 4.8505 5.1879 5.1879
5.3118 5.3118 6.4846 6.4846 6.5538 6.5538 6.7230 6.7230
8.4204 8.4204 9.0578 9.0578 11.1754 11.1754 12.2843 12.2843
13.7848 13.7848 14.4420 14.4420
k = 0.4891-0.2824 0.3994 ( 2874 PWs) bands (ev):
-30.5284 -30.5284 -13.4152 -13.4152 -13.4135 -13.4135 -11.8345 -11.8345
-11.4658 -11.4658 -11.4561 -11.4561 -10.4441 -10.4441 -10.4422 -10.4422
-10.4352 -10.4352 -0.1012 -0.1012 4.8529 4.8529 5.2012 5.2012
5.2978 5.2978 6.4879 6.4879 6.5544 6.5544 6.7142 6.7142
8.4151 8.4151 9.0535 9.0535 11.1757 11.1757 12.2791 12.2791
13.7843 13.7843 14.4404 14.4404
k = 0.5000-0.2887 0.4082 ( 2874 PWs) bands (ev):
-30.5284 -30.5284 -13.4152 -13.4152 -13.4135 -13.4135 -11.8345 -11.8345
-11.4658 -11.4658 -11.4562 -11.4562 -10.4441 -10.4441 -10.4422 -10.4422
-10.4352 -10.4352 -0.1005 -0.1005 4.8537 4.8537 5.2067 5.2067
5.2921 5.2921 6.4891 6.4891 6.5546 6.5546 6.7112 6.7112
8.4133 8.4133 9.0521 9.0521 11.1758 11.1758 12.2773 12.2773
13.7841 13.7841 14.4399 14.4400
k = 0.5000-0.2887 0.4082 ( 2874 PWs) bands (ev):
-30.5284 -30.5284 -13.4152 -13.4152 -13.4135 -13.4135 -11.8345 -11.8345
-11.4658 -11.4658 -11.4562 -11.4562 -10.4441 -10.4441 -10.4422 -10.4422
-10.4352 -10.4352 -0.1005 -0.1005 4.8537 4.8537 5.2067 5.2067
5.2921 5.2921 6.4891 6.4891 6.5546 6.5546 6.7112 6.7112
8.4133 8.4133 9.0521 9.0521 11.1758 11.1758 12.2773 12.2773
13.7841 13.7841 14.4399 14.4399
k = 0.5000-0.2761 0.4171 ( 2874 PWs) bands (ev):
-30.5284 -30.5284 -13.4153 -13.4152 -13.4136 -13.4135 -11.8347 -11.8344
-11.4660 -11.4656 -11.4562 -11.4561 -10.4441 -10.4441 -10.4422 -10.4422
-10.4352 -10.4351 -0.1010 -0.0997 4.8469 4.8617 5.1965 5.2164
5.2885 5.2965 6.4766 6.5006 6.5425 6.5654 6.7112 6.7117
8.3937 8.4292 9.0358 9.0617 11.1610 11.1998 12.2676 12.3008
13.7857 13.7861 14.4335 14.4426
k = 0.5000-0.2636 0.4260 ( 2874 PWs) bands (ev):
-30.5284 -30.5284 -13.4153 -13.4152 -13.4136 -13.4135 -11.8348 -11.8343
-11.4661 -11.4655 -11.4563 -11.4561 -10.4440 -10.4440 -10.4423 -10.4421
-10.4352 -10.4351 -0.1012 -0.0987 4.8411 4.8708 5.1859 5.2252
5.2857 5.3021 6.4626 6.5114 6.5294 6.5748 6.7118 6.7125
8.3709 8.4413 9.0133 9.0646 11.1553 11.2325 12.2719 12.3374
13.7906 13.7916 14.4229 14.4414
k = 0.5000-0.2510 0.4349 ( 2866 PWs) bands (ev):
-30.5284 -30.5284 -13.4154 -13.4152 -13.4137 -13.4134 -11.8350 -11.8342
-11.4662 -11.4653 -11.4564 -11.4561 -10.4439 -10.4438 -10.4422 -10.4420
-10.4353 -10.4350 -0.1012 -0.0974 4.8365 4.8809 5.1752 5.2330
5.2833 5.3092 6.4467 6.5157 6.5213 6.5831 6.7131 6.7135
8.3451 8.4491 8.9855 9.0611 11.1590 11.2735 12.2899 12.3864
13.7990 13.8010 14.4075 14.4359
k = 0.5000-0.2385 0.4437 ( 2870 PWs) bands (ev):
-30.5284 -30.5284 -13.4154 -13.4152 -13.4137 -13.4134 -11.8352 -11.8342
-11.4664 -11.4651 -11.4566 -11.4562 -10.4437 -10.4437 -10.4422 -10.4418
-10.4353 -10.4350 -0.1009 -0.0958 4.8330 4.8920 5.1643 5.2396
5.2812 5.3179 6.4281 6.5022 6.5305 6.5905 6.7145 6.7152
8.3164 8.4523 8.9533 9.0518 11.1720 11.3225 12.3210 12.4465
13.8106 13.8143 14.3864 14.4250
k = 0.5000-0.2259 0.4526 ( 2864 PWs) bands (ev):
-30.5284 -30.5284 -13.4155 -13.4152 -13.4138 -13.4134 -11.8354 -11.8341
-11.4665 -11.4649 -11.4568 -11.4563 -10.4435 -10.4435 -10.4420 -10.4417
-10.4353 -10.4349 -0.1003 -0.0940 4.8306 4.9040 5.1535 5.2451
5.2793 5.3282 6.4063 6.4895 6.5388 6.5975 6.7154 6.7180
8.2852 8.4508 8.9180 9.0376 11.1941 11.3788 12.3643 12.5163
13.8255 13.8318 14.3593 14.4083
k = 0.5000-0.2134 0.4615 ( 2858 PWs) bands (ev):
-30.5284 -30.5284 -13.4156 -13.4153 -13.4139 -13.4134 -11.8356 -11.8341
-11.4665 -11.4647 -11.4570 -11.4564 -10.4433 -10.4433 -10.4418 -10.4414
-10.4352 -10.4349 -0.0995 -0.0921 4.8293 4.9169 5.1428 5.2497
5.2775 5.3401 6.3811 6.4780 6.5461 6.6043 6.7161 6.7215
8.2515 8.4442 8.8807 9.0198 11.2251 11.4421 12.4186 12.5943
13.8436 13.8540 14.3260 14.3853
k = 0.5000-0.2008 0.4704 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4157 -13.4153 -13.4140 -13.4134 -11.8359 -11.8341
-11.4666 -11.4645 -11.4572 -11.4565 -10.4432 -10.4431 -10.4416 -10.4412
-10.4352 -10.4348 -0.0986 -0.0899 4.8290 4.9305 5.1322 5.2535
5.2758 5.3533 6.3526 6.4676 6.5521 6.6110 6.7169 6.7256
8.2157 8.4326 8.8426 8.9994 11.2647 11.5117 12.4824 12.6786
13.8646 13.8813 14.2866 14.3563
k = 0.5000-0.1883 0.4792 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4158 -13.4154 -13.4140 -13.4134 -11.8362 -11.8342
-11.4667 -11.4643 -11.4575 -11.4567 -10.4432 -10.4429 -10.4412 -10.4408
-10.4352 -10.4347 -0.0974 -0.0877 4.8296 4.9447 5.1217 5.2568
5.2741 5.3677 6.3213 6.4583 6.5570 6.6176 6.7178 6.7304
8.1778 8.4161 8.8048 8.9778 11.3124 11.5873 12.5541 12.7675
13.8880 13.9142 14.2416 14.3213
k = 0.5000-0.1757 0.4881 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4159 -13.4155 -13.4141 -13.4134 -11.8364 -11.8342
-11.4668 -11.4641 -11.4578 -11.4569 -10.4431 -10.4428 -10.4408 -10.4404
-10.4351 -10.4347 -0.0961 -0.0853 4.8312 4.9593 5.1114 5.2598
5.2724 5.3832 6.2875 6.4500 6.5609 6.6237 6.7194 6.7357
8.1382 8.3949 8.7682 8.9559 11.3677 11.6682 12.6318 12.8589
13.9126 13.9532 14.1916 14.2803
k = 0.5000-0.1632 0.4970 ( 2858 PWs) bands (ev):
-30.5285 -30.5284 -13.4160 -13.4155 -13.4142 -13.4134 -11.8367 -11.8343
-11.4668 -11.4639 -11.4581 -11.4571 -10.4431 -10.4426 -10.4403 -10.4399
-10.4350 -10.4346 -0.0947 -0.0828 4.8337 4.9743 5.1013 5.2627
5.2706 5.3997 6.2517 6.4424 6.5640 6.6288 6.7220 6.7416
8.0972 8.3695 8.7336 8.9346 11.4302 11.7539 12.7137 12.9506
13.9355 13.9985 14.1385 14.2333
k = 0.5000-0.1506 0.5059 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4161 -13.4156 -13.4142 -13.4134 -11.8370 -11.8344
-11.4668 -11.4637 -11.4584 -11.4573 -10.4431 -10.4425 -10.4399 -10.4395
-10.4350 -10.4345 -0.0932 -0.0804 4.8370 4.9893 5.0914 5.2656
5.2689 5.4172 6.2141 6.4355 6.5664 6.6325 6.7260 6.7479
8.0553 8.3406 8.7013 8.9144 11.4993 11.8442 12.7980 13.0406
13.9489 14.0497 14.0885 14.1805
k = 0.5000-0.1381 0.5147 ( 2858 PWs) bands (ev):
-30.5285 -30.5284 -13.4163 -13.4157 -13.4143 -13.4134 -11.8372 -11.8345
-11.4668 -11.4635 -11.4587 -11.4575 -10.4431 -10.4424 -10.4394 -10.4390
-10.4348 -10.4344 -0.0916 -0.0779 4.8410 5.0041 5.0817 5.2671
5.2686 5.4357 6.1751 6.4292 6.5684 6.6344 6.7317 6.7546
8.0131 8.3091 8.6719 8.8958 11.5742 11.9384 12.8826 13.1267
13.9338 14.0576 14.1036 14.1226
k = 0.5000-0.1255 0.5236 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4164 -13.4158 -13.4144 -13.4134 -11.8375 -11.8346
-11.4668 -11.4633 -11.4590 -11.4578 -10.4431 -10.4424 -10.4390 -10.4384
-10.4347 -10.4343 -0.0901 -0.0754 4.8456 5.0186 5.0722 5.2654
5.2718 5.4553 6.1351 6.4235 6.5701 6.6344 6.7391 6.7615
7.9712 8.2759 8.6454 8.8789 11.6543 12.0361 12.9658 13.2073
13.8824 14.0499 14.0571 14.1546
k = 0.5000-0.1130 0.5325 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4165 -13.4159 -13.4144 -13.4134 -11.8378 -11.8347
-11.4668 -11.4631 -11.4593 -11.4581 -10.4431 -10.4423 -10.4386 -10.4380
-10.4345 -10.4343 -0.0885 -0.0731 4.8507 5.0324 5.0630 5.2636
5.2751 5.4759 6.0944 6.4183 6.5717 6.6328 6.7477 6.7687
7.9302 8.2421 8.6218 8.8637 11.7389 12.1370 13.0454 13.2809
13.8131 13.9875 14.0450 14.1842
k = 0.5000-0.1004 0.5414 ( 2860 PWs) bands (ev):
-30.5285 -30.5283 -13.4166 -13.4160 -13.4145 -13.4134 -11.8380 -11.8347
-11.4667 -11.4629 -11.4596 -11.4583 -10.4431 -10.4422 -10.4383 -10.4375
-10.4343 -10.4342 -0.0870 -0.0709 4.8563 5.0452 5.0542 5.2620
5.2786 5.4977 6.0533 6.4137 6.5732 6.6300 6.7571 6.7758
7.8909 8.2086 8.6012 8.8504 11.8271 12.2406 13.1191 13.3466
13.7375 13.9131 14.0329 14.1873
k = 0.5000-0.0879 0.5502 ( 2860 PWs) bands (ev):
-30.5285 -30.5283 -13.4167 -13.4161 -13.4145 -13.4134 -11.8382 -11.8348
-11.4667 -11.4627 -11.4599 -11.4586 -10.4431 -10.4422 -10.4380 -10.4371
-10.4341 -10.4341 -0.0856 -0.0688 4.8620 5.0457 5.0570 5.2604
5.2823 5.5208 6.0121 6.4096 6.5748 6.6263 6.7668 6.7829
7.8540 8.1765 8.5835 8.8388 11.9178 12.3463 13.1836 13.4031
13.6618 13.8350 14.0133 14.1746
k = 0.5000-0.0753 0.5591 ( 2862 PWs) bands (ev):
-30.5285 -30.5283 -13.4168 -13.4162 -13.4145 -13.4134 -11.8384 -11.8349
-11.4667 -11.4625 -11.4602 -11.4588 -10.4431 -10.4421 -10.4377 -10.4367
-10.4340 -10.4339 -0.0843 -0.0670 4.8679 5.0376 5.0674 5.2589
5.2860 5.5452 5.9711 6.4061 6.5766 6.6221 6.7763 6.7896
7.8203 8.1466 8.5684 8.8288 12.0099 12.4539 13.2328 13.4485
13.5937 13.7560 13.9880 14.1553
k = 0.5000-0.0628 0.5680 ( 2856 PWs) bands (ev):
-30.5285 -30.5283 -13.4169 -13.4162 -13.4146 -13.4134 -11.8386 -11.8350
-11.4666 -11.4622 -11.4605 -11.4591 -10.4431 -10.4421 -10.4375 -10.4363
-10.4339 -10.4337 -0.0832 -0.0653 4.8736 5.0302 5.0764 5.2576
5.2896 5.5709 5.9307 6.4031 6.5785 6.6176 6.7853 6.7959
7.7904 8.1197 8.5559 8.8205 12.1016 12.5628 13.2547 13.4756
13.5468 13.6838 13.9590 14.1339
k = 0.5000-0.0502 0.5769 ( 2860 PWs) bands (ev):
-30.5285 -30.5283 -13.4170 -13.4163 -13.4146 -13.4134 -11.8387 -11.8351
-11.4665 -11.4620 -11.4607 -11.4593 -10.4431 -10.4420 -10.4374 -10.4361
-10.4339 -10.4335 -0.0822 -0.0640 4.8789 5.0236 5.0838 5.2564
5.2928 5.5980 5.8912 6.4006 6.5806 6.6131 6.7932 6.8015
7.7649 8.0967 8.5459 8.8138 12.1906 12.6725 13.2374 13.4638
13.5350 13.6393 13.9282 14.1127
k = 0.5000-0.0377 0.5857 ( 2852 PWs) bands (ev):
-30.5285 -30.5283 -13.4170 -13.4163 -13.4146 -13.4133 -11.8388 -11.8351
-11.4664 -11.4618 -11.4609 -11.4595 -10.4431 -10.4420 -10.4373 -10.4358
-10.4338 -10.4333 -0.0814 -0.0629 4.8835 5.0180 5.0895 5.2555
5.2956 5.6260 5.8531 6.3986 6.5829 6.6088 6.7997 6.8061
7.7444 8.0780 8.5382 8.8086 12.2733 12.7825 13.1905 13.4013
13.5517 13.6348 13.8974 14.0935
k = 0.5000-0.0251 0.5946 ( 2852 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4146 -13.4133 -11.8389 -11.8351
-11.4664 -11.4616 -11.4610 -11.4597 -10.4431 -10.4420 -10.4372 -10.4357
-10.4337 -10.4332 -0.0809 -0.0621 4.8872 5.0137 5.0936 5.2548
5.2978 5.6542 5.8176 6.3972 6.5853 6.6049 6.8046 6.8096
7.7294 8.0644 8.5328 8.8049 12.3437 12.8921 13.1367 13.3125
13.5779 13.6456 13.8693 14.0781
k = 0.5000-0.0126 0.6035 ( 2852 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4146 -13.4133 -11.8389 -11.8351
-11.4664 -11.4615 -11.4611 -11.4599 -10.4431 -10.4420 -10.4371 -10.4356
-10.4337 -10.4331 -0.0805 -0.0616 4.8895 5.0110 5.0961 5.2544
5.2992 5.6798 5.7875 6.3964 6.5873 6.6018 6.8076 6.8117
7.7203 8.0560 8.5296 8.8026 12.3931 13.0005 13.0949 13.2138
13.6000 13.6556 13.8482 14.0680
k = 0.5000-0.0000 0.6124 ( 2872 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4146 -13.4133 -11.8390 -11.8352
-11.4664 -11.4615 -11.4612 -11.4600 -10.4431 -10.4420 -10.4371 -10.4356
-10.4337 -10.4331 -0.0804 -0.0614 4.8904 5.0100 5.0969 5.2543
5.2996 5.6924 5.7734 6.3961 6.5883 6.6006 6.8087 6.8124
7.7172 8.0532 8.5285 8.8019 12.4112 13.0789 13.0941 13.1230
13.6087 13.6593 13.8401 14.0645
k = 0.5000-0.0000 0.6124 ( 2872 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4146 -13.4133 -11.8390 -11.8352
-11.4664 -11.4615 -11.4612 -11.4600 -10.4431 -10.4420 -10.4371 -10.4356
-10.4337 -10.4331 -0.0804 -0.0614 4.8904 5.0100 5.0969 5.2543
5.2996 5.6924 5.7734 6.3961 6.5883 6.6006 6.8087 6.8124
7.7172 8.0532 8.5285 8.8019 12.4112 13.0789 13.0941 13.1230
13.6087 13.6593 13.8401 14.0645
k = 0.4926 0.0127 0.6124 ( 2852 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4146 -13.4133 -11.8389 -11.8352
-11.4664 -11.4615 -11.4611 -11.4599 -10.4431 -10.4420 -10.4371 -10.4356
-10.4337 -10.4331 -0.0806 -0.0616 4.8900 5.0101 5.0966 5.2525
5.3012 5.6864 5.7800 6.3960 6.5874 6.6010 6.8039 6.8162
7.7185 8.0554 8.5304 8.8042 12.4020 13.0307 13.0884 13.1815
13.6070 13.6589 13.8442 14.0660
k = 0.4853 0.0255 0.6124 ( 2850 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4147 -13.4134 -11.8389 -11.8351
-11.4664 -11.4616 -11.4610 -11.4598 -10.4430 -10.4419 -10.4371 -10.4356
-10.4337 -10.4331 -0.0810 -0.0622 4.8890 5.0102 5.0958 5.2483
5.3051 5.6722 5.7955 6.3954 6.5846 6.6026 6.7973 6.8199
7.7221 8.0614 8.5364 8.8111 12.3747 12.9507 13.1113 13.2508
13.6033 13.6589 13.8547 14.0701
k = 0.4779 0.0382 0.6124 ( 2850 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4147 -13.4134 -11.8389 -11.8351
-11.4664 -11.4618 -11.4609 -11.4597 -10.4430 -10.4419 -10.4372 -10.4357
-10.4337 -10.4332 -0.0818 -0.0630 4.8874 5.0102 5.0947 5.2431
5.3099 5.6550 5.8151 6.3943 6.5800 6.6050 6.7904 6.8220
7.7278 8.0698 8.5476 8.8225 12.3322 12.8659 13.1459 13.3180
13.6001 13.6613 13.8691 14.0761
k = 0.4706 0.0509 0.6124 ( 2849 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4147 -13.4134 -11.8389 -11.8351
-11.4664 -11.4619 -11.4607 -11.4596 -10.4429 -10.4418 -10.4372 -10.4358
-10.4337 -10.4332 -0.0827 -0.0641 4.8852 5.0102 5.0934 5.2377
5.3150 5.6368 5.8363 6.3923 6.5742 6.6078 6.7832 6.8225
7.7353 8.0793 8.5645 8.8382 12.2778 12.7775 13.1884 13.3811
13.6004 13.6672 13.8855 14.0835
k = 0.4632 0.0637 0.6124 ( 2857 PWs) bands (ev):
-30.5285 -30.5283 -13.4170 -13.4163 -13.4147 -13.4134 -11.8389 -11.8352
-11.4665 -11.4621 -11.4607 -11.4595 -10.4427 -10.4417 -10.4373 -10.4360
-10.4337 -10.4332 -0.0837 -0.0653 4.8826 5.0100 5.0921 5.2325
5.3201 5.6187 5.8583 6.3893 6.5674 6.6110 6.7759 6.8218
7.7441 8.0885 8.5879 8.8580 12.2151 12.6868 13.2350 13.4366
13.6079 13.6778 13.9029 14.0918
k = 0.4559 0.0764 0.6124 ( 2855 PWs) bands (ev):
-30.5285 -30.5283 -13.4170 -13.4163 -13.4147 -13.4135 -11.8389 -11.8352
-11.4666 -11.4622 -11.4605 -11.4593 -10.4426 -10.4416 -10.4374 -10.4361
-10.4338 -10.4333 -0.0849 -0.0667 4.8797 5.0095 5.0909 5.2277
5.3253 5.6008 5.8806 6.3848 6.5601 6.6143 6.7688 6.8199
7.7539 8.0965 8.6176 8.8813 12.1470 12.5949 13.2824 13.4805
13.6262 13.6949 13.9205 14.1008
k = 0.4485 0.0891 0.6124 ( 2853 PWs) bands (ev):
-30.5285 -30.5283 -13.4170 -13.4163 -13.4147 -13.4135 -11.8388 -11.8352
-11.4666 -11.4624 -11.4604 -11.4592 -10.4424 -10.4415 -10.4375 -10.4363
-10.4338 -10.4333 -0.0861 -0.0681 4.8766 5.0089 5.0900 5.2233
5.3306 5.5835 5.9030 6.3786 6.5527 6.6177 6.7619 6.8172
7.7641 8.1028 8.6532 8.9076 12.0760 12.5030 13.3272 13.5118
13.6545 13.7212 13.9379 14.1100
k = 0.4412 0.1019 0.6124 ( 2855 PWs) bands (ev):
-30.5285 -30.5283 -13.4170 -13.4162 -13.4148 -13.4136 -11.8388 -11.8352
-11.4667 -11.4625 -11.4603 -11.4590 -10.4422 -10.4413 -10.4376 -10.4365
-10.4338 -10.4334 -0.0873 -0.0696 4.8733 5.0080 5.0894 5.2194
5.3360 5.5666 5.9254 6.3705 6.5456 6.6212 6.7553 6.8138
7.7745 8.1072 8.6939 8.9360 12.0043 12.4126 13.3664 13.5360
13.6863 13.7582 13.9552 14.1194
k = 0.4338 0.1146 0.6124 ( 2853 PWs) bands (ev):
-30.5285 -30.5283 -13.4170 -13.4162 -13.4148 -13.4136 -11.8387 -11.8352
-11.4668 -11.4626 -11.4602 -11.4589 -10.4420 -10.4411 -10.4377 -10.4367
-10.4339 -10.4334 -0.0885 -0.0710 4.8700 5.0069 5.0890 5.2159
5.3417 5.5505 5.9477 6.3603 6.5391 6.6246 6.7492 6.8101
7.7845 8.1099 8.7382 8.9654 11.9336 12.3251 13.3978 13.5591
13.7184 13.8031 13.9725 14.1287
k = 0.4265 0.1274 0.6124 ( 2855 PWs) bands (ev):
-30.5285 -30.5283 -13.4169 -13.4162 -13.4148 -13.4137 -11.8387 -11.8352
-11.4668 -11.4627 -11.4601 -11.4588 -10.4418 -10.4410 -10.4378 -10.4370
-10.4339 -10.4334 -0.0896 -0.0724 4.8669 5.0056 5.0889 5.2129
5.3477 5.5350 5.9698 6.3481 6.5335 6.6280 6.7437 6.8062
7.7939 8.1112 8.7847 8.9948 11.8658 12.2421 13.4208 13.5836
13.7518 13.8499 13.9900 14.1376
k = 0.4191 0.1401 0.6124 ( 2859 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4161 -13.4148 -13.4137 -11.8387 -11.8352
-11.4669 -11.4629 -11.4600 -11.4587 -10.4416 -10.4408 -10.4380 -10.4373
-10.4340 -10.4334 -0.0907 -0.0736 4.8639 5.0043 5.0889 5.2103
5.3541 5.5202 5.9913 6.3343 6.5290 6.6311 6.7388 6.8024
7.8024 8.1114 8.8315 9.0230 11.8027 12.1651 13.4370 13.6089
13.7868 13.8938 14.0085 14.1458
k = 0.4118 0.1528 0.6124 ( 2858 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4161 -13.4148 -13.4138 -11.8387 -11.8352
-11.4669 -11.4629 -11.4599 -11.4586 -10.4413 -10.4405 -10.4381 -10.4375
-10.4340 -10.4334 -0.0916 -0.0747 4.8612 5.0031 5.0891 5.2082
5.3607 5.5064 6.0121 6.3194 6.5254 6.6340 6.7345 6.7989
7.8098 8.1110 8.8767 9.0485 11.7459 12.0958 13.4482 13.6335
13.8227 13.9309 14.0291 14.1524
k = 0.4044 0.1656 0.6124 ( 2856 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4160 -13.4149 -13.4138 -11.8386 -11.8352
-11.4670 -11.4630 -11.4598 -11.4585 -10.4411 -10.4403 -10.4383 -10.4378
-10.4341 -10.4334 -0.0924 -0.0757 4.8588 5.0019 5.0894 5.2064
5.3674 5.4937 6.0316 6.3042 6.5228 6.6365 6.7309 6.7958
7.8161 8.1103 8.9185 9.0702 11.6970 12.0360 13.4562 13.6561
13.8575 13.9589 14.0520 14.1565
k = 0.3971 0.1783 0.6124 ( 2858 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4160 -13.4149 -13.4138 -11.8386 -11.8352
-11.4670 -11.4631 -11.4597 -11.4585 -10.4409 -10.4401 -10.4384 -10.4381
-10.4341 -10.4334 -0.0930 -0.0765 4.8570 5.0010 5.0896 5.2050
5.3739 5.4825 6.0490 6.2897 6.5209 6.6386 6.7281 6.7933
7.8210 8.1094 8.9548 9.0870 11.6573 11.9874 13.4618 13.6754
13.8891 13.9782 14.0747 14.1571
k = 0.3897 0.1910 0.6124 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4160 -13.4149 -13.4139 -11.8386 -11.8352
-11.4671 -11.4631 -11.4597 -11.4584 -10.4407 -10.4399 -10.4385 -10.4383
-10.4342 -10.4334 -0.0935 -0.0770 4.8556 5.0002 5.0899 5.2041
5.3797 5.4734 6.0632 6.2773 6.5196 6.6401 6.7261 6.7914
7.8245 8.1087 8.9833 9.0986 11.6280 11.9514 13.4657 13.6904
13.9149 13.9906 14.0937 14.1539
k = 0.3824 0.2038 0.6124 ( 2866 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4160 -13.4149 -13.4139 -11.8386 -11.8352
-11.4671 -11.4631 -11.4597 -11.4584 -10.4406 -10.4397 -10.4386 -10.4385
-10.4342 -10.4334 -0.0937 -0.0774 4.8547 4.9998 5.0900 5.2035
5.3837 5.4673 6.0728 6.2688 6.5189 6.6411 6.7248 6.7902
7.8267 8.1082 9.0018 9.1051 11.6100 11.9292 13.4679 13.7000
13.9321 13.9977 14.1062 14.1491
k = 0.3750 0.2165 0.6124 ( 2870 PWs) bands (ev):
-30.5285 -30.5284 -13.4168 -13.4160 -13.4149 -13.4139 -11.8387 -11.8352
-11.4671 -11.4632 -11.4597 -11.4584 -10.4405 -10.4396 -10.4387 -10.4386
-10.4342 -10.4334 -0.0938 -0.0775 4.8544 4.9996 5.0901 5.2033
5.3853 5.4651 6.0762 6.2657 6.5187 6.6414 6.7244 6.7898
7.8274 8.1080 9.0083 9.1071 11.6040 11.9217 13.4686 13.7033
13.9381 14.0002 14.1106 14.1467
k = 0.3750 0.2165 0.6124 ( 2870 PWs) bands (ev):
-30.5285 -30.5284 -13.4168 -13.4160 -13.4149 -13.4139 -11.8387 -11.8352
-11.4671 -11.4632 -11.4597 -11.4584 -10.4405 -10.4396 -10.4387 -10.4386
-10.4342 -10.4334 -0.0938 -0.0775 4.8544 4.9996 5.0901 5.2033
5.3853 5.4651 6.0762 6.2657 6.5187 6.6414 6.7244 6.7898
7.8274 8.1080 9.0083 9.1071 11.6040 11.9217 13.4686 13.7033
13.9381 14.0002 14.1106 14.1467
k = 0.3673 0.2121 0.5999 ( 2866 PWs) bands (ev):
-30.5285 -30.5284 -13.4170 -13.4161 -13.4150 -13.4139 -11.8389 -11.8354
-11.4671 -11.4631 -11.4598 -11.4586 -10.4403 -10.4394 -10.4384 -10.4382
-10.4339 -10.4331 -0.0951 -0.0783 4.8592 4.9932 5.0947 5.1947
5.3929 5.4873 6.0333 6.2500 6.5163 6.6417 6.7196 6.8034
7.8043 8.0903 9.0392 9.1294 11.6511 11.9742 13.5402 13.7385
13.9486 13.9868 14.1067 14.1351
k = 0.3597 0.2077 0.5874 ( 2874 PWs) bands (ev):
-30.5285 -30.5284 -13.4171 -13.4162 -13.4151 -13.4140 -11.8392 -11.8356
-11.4671 -11.4632 -11.4599 -11.4588 -10.4401 -10.4392 -10.4381 -10.4379
-10.4336 -10.4328 -0.0969 -0.0798 4.8641 4.9856 5.0986 5.1848
5.4002 5.5115 5.9905 6.2345 6.5157 6.6414 6.7146 6.8175
7.7864 8.0782 9.0720 9.1540 11.6988 12.0272 13.5884 13.7260
13.9857 13.9956 14.0932 14.1150
k = 0.3520 0.2033 0.5749 ( 2870 PWs) bands (ev):
-30.5285 -30.5284 -13.4172 -13.4163 -13.4152 -13.4141 -11.8394 -11.8357
-11.4671 -11.4633 -11.4599 -11.4589 -10.4399 -10.4391 -10.4379 -10.4376
-10.4332 -10.4325 -0.0996 -0.0822 4.8690 4.9773 5.1011 5.1736
5.4071 5.5374 5.9483 6.2195 6.5167 6.6409 6.7096 6.8320
7.7739 8.0716 9.1064 9.1808 11.7466 12.0804 13.6109 13.6926
13.9969 14.0413 14.0823 14.0916
k = 0.3444 0.1988 0.5624 ( 2870 PWs) bands (ev):
-30.5285 -30.5284 -13.4174 -13.4164 -13.4153 -13.4142 -11.8396 -11.8358
-11.4671 -11.4634 -11.4599 -11.4590 -10.4398 -10.4389 -10.4377 -10.4373
-10.4328 -10.4322 -0.1031 -0.0855 4.8738 4.9686 5.1018 5.1612
5.4138 5.5651 5.9073 6.2054 6.5192 6.6402 6.7051 6.8468
7.7669 8.0705 9.1424 9.2096 11.7940 12.1333 13.6119 13.6537
14.0081 14.0311 14.0747 14.1146
k = 0.3367 0.1944 0.5499 ( 2858 PWs) bands (ev):
-30.5285 -30.5284 -13.4175 -13.4164 -13.4154 -13.4143 -11.8397 -11.8359
-11.4670 -11.4635 -11.4597 -11.4591 -10.4396 -10.4388 -10.4375 -10.4371
-10.4324 -10.4318 -0.1075 -0.0899 4.8786 4.9597 5.1005 5.1475
5.4200 5.5941 5.8683 6.1925 6.5229 6.6394 6.7019 6.8617
7.7654 8.0746 9.1798 9.2404 11.8404 12.1852 13.5993 13.6150
13.9958 14.0001 14.0816 14.1502
k = 0.3291 0.1900 0.5374 ( 2858 PWs) bands (ev):
-30.5285 -30.5284 -13.4176 -13.4165 -13.4155 -13.4143 -11.8399 -11.8360
-11.4669 -11.4636 -11.4596 -11.4591 -10.4394 -10.4387 -10.4374 -10.4369
-10.4320 -10.4314 -0.1129 -0.0953 4.8831 4.9507 5.0970 5.1327
5.4259 5.6240 5.8319 6.1810 6.5270 6.6386 6.7007 6.8770
7.7695 8.0839 9.2185 9.2731 11.8850 12.2352 13.5791 13.5802
13.9639 13.9654 14.1013 14.1719
k = 0.3214 0.1856 0.5249 ( 2872 PWs) bands (ev):
-30.5286 -30.5284 -13.4177 -13.4166 -13.4155 -13.4144 -11.8400 -11.8362
-11.4670 -11.4639 -11.4595 -11.4592 -10.4393 -10.4386 -10.4373 -10.4368
-10.4316 -10.4311 -0.1194 -0.1020 4.8873 4.9417 5.0914 5.1171
5.4315 5.6539 5.7994 6.1712 6.5308 6.6377 6.7024 6.8925
7.7791 8.0979 9.2585 9.3075 11.9267 12.2820 13.5477 13.5593
13.9246 13.9292 14.1187 14.1787
k = 0.3138 0.1812 0.5124 ( 2872 PWs) bands (ev):
-30.5286 -30.5284 -13.4178 -13.4167 -13.4156 -13.4145 -11.8401 -11.8363
-11.4669 -11.4640 -11.4593 -11.4592 -10.4391 -10.4385 -10.4373 -10.4367
-10.4312 -10.4307 -0.1270 -0.1099 4.8912 4.9327 5.0836 5.1009
5.4367 5.6810 5.7736 6.1632 6.5333 6.6369 6.7081 6.9084
7.7941 8.1167 9.2998 9.3436 11.9647 12.3243 13.5225 13.5399
13.8826 13.8908 14.1296 14.1723
k = 0.3061 0.1767 0.4999 ( 2866 PWs) bands (ev):
-30.5286 -30.5285 -13.4179 -13.4168 -13.4157 -13.4146 -11.8401 -11.8363
-11.4668 -11.4641 -11.4591 -11.4591 -10.4390 -10.4385 -10.4372 -10.4366
-10.4309 -10.4304 -0.1359 -0.1191 4.8946 4.9237 5.0738 5.0846
5.4417 5.6960 5.7640 6.1572 6.5339 6.6361 6.7185 6.9249
7.8144 8.1399 9.3421 9.3814 11.9976 12.3606 13.5047 13.5243
13.8385 13.8521 14.1324 14.1556
k = 0.2985 0.1723 0.4874 ( 2870 PWs) bands (ev):
-30.5286 -30.5285 -13.4179 -13.4168 -13.4158 -13.4147 -11.8401 -11.8364
-11.4667 -11.4642 -11.4591 -11.4589 -10.4389 -10.4385 -10.4372 -10.4366
-10.4306 -10.4301 -0.1460 -0.1296 4.8975 4.9149 5.0623 5.0683
5.4463 5.6887 5.7804 6.1530 6.5321 6.6352 6.7340 6.9422
7.8399 8.1674 9.3855 9.4208 12.0244 12.3891 13.4958 13.5133
13.7925 13.8147 14.1258 14.1310
k = 0.2908 0.1679 0.4749 ( 2858 PWs) bands (ev):
-30.5286 -30.5285 -13.4180 -13.4169 -13.4158 -13.4148 -11.8401 -11.8364
-11.4666 -11.4643 -11.4590 -11.4586 -10.4388 -10.4384 -10.4372 -10.4365
-10.4303 -10.4298 -0.1575 -0.1415 4.8996 4.9061 5.0493 5.0526
5.4508 5.6724 5.8095 6.1507 6.5281 6.6343 6.7547 6.9605
7.8705 8.1991 9.4300 9.4617 12.0440 12.4083 13.4966 13.5064
13.7449 13.7815 14.1004 14.1077
k = 0.2832 0.1635 0.4624 ( 2858 PWs) bands (ev):
-30.5286 -30.5285 -13.4181 -13.4169 -13.4159 -13.4149 -11.8400 -11.8364
-11.4664 -11.4643 -11.4588 -11.4584 -10.4388 -10.4385 -10.4372 -10.4365
-10.4301 -10.4296 -0.1702 -0.1548 4.8974 4.9008 5.0352 5.0379
5.4550 5.6557 5.8423 6.1501 6.5221 6.6332 6.7803 6.9801
7.9060 8.2348 9.4755 9.5040 12.0557 12.4173 13.5002 13.5078
13.6957 13.7571 14.0647 14.0781
k = 0.2755 0.1591 0.4499 ( 2864 PWs) bands (ev):
-30.5287 -30.5285 -13.4181 -13.4170 -13.4159 -13.4149 -11.8399 -11.8364
-11.4663 -11.4644 -11.4587 -11.4581 -10.4387 -10.4385 -10.4372 -10.4366
-10.4299 -10.4294 -0.1843 -0.1695 4.8889 4.9011 5.0205 5.0244
5.4591 5.6408 5.8760 6.1513 6.5146 6.6320 6.8102 7.0013
7.9462 8.2744 9.5218 9.5478 12.0591 12.4156 13.4888 13.5293
13.6453 13.7479 14.0252 14.0409
k = 0.2679 0.1546 0.4374 ( 2868 PWs) bands (ev):
-30.5287 -30.5286 -13.4182 -13.4170 -13.4159 -13.4150 -11.8398 -11.8364
-11.4662 -11.4643 -11.4585 -11.4579 -10.4387 -10.4386 -10.4372 -10.4366
-10.4298 -10.4293 -0.1998 -0.1855 4.8804 4.9003 5.0054 5.0127
5.4631 5.6282 5.9099 6.1539 6.5059 6.6305 6.8442 7.0245
7.9911 8.3179 9.5691 9.5929 12.0543 12.4034 13.4667 13.5602
13.5940 13.7581 13.9827 13.9998
k = 0.2602 0.1502 0.4249 ( 2870 PWs) bands (ev):
-30.5287 -30.5286 -13.4182 -13.4171 -13.4160 -13.4151 -11.8396 -11.8363
-11.4660 -11.4643 -11.4584 -11.4576 -10.4387 -10.4387 -10.4373 -10.4367
-10.4298 -10.4292 -0.2165 -0.2030 4.8722 4.8983 4.9905 5.0028
5.4670 5.6178 5.9435 6.1579 6.4963 6.6288 6.8819 7.0500
8.0404 8.3650 9.6173 9.6393 12.0416 12.3816 13.4333 13.5406
13.6002 13.7852 13.9387 13.9584
k = 0.2526 0.1458 0.4124 ( 2854 PWs) bands (ev):
-30.5287 -30.5286 -13.4182 -13.4171 -13.4160 -13.4152 -11.8393 -11.8361
-11.4657 -11.4641 -11.4581 -11.4573 -10.4387 -10.4387 -10.4373 -10.4368
-10.4298 -10.4292 -0.2345 -0.2217 4.8641 4.8952 4.9761 4.9949
5.4710 5.6094 5.9764 6.1632 6.4862 6.6267 6.9231 7.0780
8.0940 8.4158 9.6662 9.6871 12.0219 12.3515 13.3915 13.4874
13.6434 13.8152 13.8958 13.9257
k = 0.2449 0.1414 0.3999 ( 2862 PWs) bands (ev):
-30.5288 -30.5287 -13.4182 -13.4171 -13.4160 -13.4152 -11.8391 -11.8360
-11.4654 -11.4640 -11.4579 -11.4570 -10.4388 -10.4387 -10.4374 -10.4369
-10.4299 -10.4293 -0.2537 -0.2417 4.8563 4.8913 4.9624 4.9887
5.4751 5.6028 6.0084 6.1694 6.4758 6.6242 6.9677 7.1090
8.1517 8.4702 9.7158 9.7360 11.9960 12.3144 13.3442 13.4333
13.6819 13.8134 13.8609 13.9262
k = 0.2372 0.1370 0.3874 ( 2860 PWs) bands (ev):
-30.5288 -30.5287 -13.4182 -13.4171 -13.4160 -13.4153 -11.8388 -11.8359
-11.4651 -11.4638 -11.4576 -11.4568 -10.4390 -10.4388 -10.4375 -10.4370
-10.4300 -10.4294 -0.2741 -0.2629 4.8488 4.8870 4.9496 4.9841
5.4793 5.5978 6.0393 6.1766 6.4651 6.6214 7.0154 7.1431
8.2134 8.5280 9.7662 9.7861 11.9650 12.2714 13.2935 13.3786
13.6952 13.7765 13.8511 13.9450
k = 0.2296 0.1326 0.3749 ( 2860 PWs) bands (ev):
-30.5288 -30.5287 -13.4182 -13.4171 -13.4160 -13.4154 -11.8385 -11.8357
-11.4648 -11.4636 -11.4573 -11.4565 -10.4391 -10.4389 -10.4376 -10.4371
-10.4302 -10.4296 -0.2956 -0.2852 4.8416 4.8825 4.9378 4.9807
5.4838 5.5941 6.0689 6.1844 6.4544 6.6180 7.0663 7.1807
8.2789 8.5891 9.8172 9.8373 11.9299 12.2238 13.2405 13.3234
13.6712 13.7291 13.8728 13.9449
k = 0.2219 0.1281 0.3624 ( 2858 PWs) bands (ev):
-30.5288 -30.5288 -13.4181 -13.4171 -13.4160 -13.4154 -11.8381 -11.8355
-11.4644 -11.4633 -11.4571 -11.4562 -10.4392 -10.4390 -10.4378 -10.4372
-10.4304 -10.4298 -0.3181 -0.3085 4.8350 4.8783 4.9273 4.9781
5.4885 5.5917 6.0972 6.1927 6.4438 6.6143 7.1202 7.2219
8.3481 8.6534 9.8687 9.8895 11.8916 12.1725 13.1862 13.2679
13.6274 13.6788 13.9013 13.9297
k = 0.2143 0.1237 0.3499 ( 2862 PWs) bands (ev):
-30.5289 -30.5288 -13.4181 -13.4170 -13.4160 -13.4155 -11.8377 -11.8352
-11.4640 -11.4630 -11.4568 -11.4559 -10.4394 -10.4391 -10.4379 -10.4374
-10.4307 -10.4301 -0.3415 -0.3327 4.8289 4.8746 4.9178 4.9760
5.4935 5.5903 6.1239 6.2015 6.4333 6.6100 7.1771 7.2668
8.4206 8.7208 9.9208 9.9428 11.8510 12.1185 13.1311 13.2121
13.5765 13.6274 13.9078 13.9187
k = 0.2066 0.1193 0.3374 ( 2864 PWs) bands (ev):
-30.5289 -30.5288 -13.4180 -13.4170 -13.4160 -13.4155 -11.8373 -11.8350
-11.4636 -11.4626 -11.4565 -11.4557 -10.4395 -10.4392 -10.4381 -10.4376
-10.4310 -10.4304 -0.3657 -0.3576 4.8234 4.8715 4.9094 4.9742
5.4989 5.5897 6.1492 6.2104 6.4231 6.6053 7.2370 7.3156
8.4964 8.7911 9.9733 9.9970 11.8087 12.0624 13.0756 13.1562
13.5229 13.5759 13.8826 13.9223
k = 0.1990 0.1149 0.3249 ( 2852 PWs) bands (ev):
-30.5289 -30.5289 -13.4179 -13.4169 -13.4160 -13.4156 -11.8368 -11.8347
-11.4631 -11.4622 -11.4562 -11.4553 -10.4397 -10.4393 -10.4382 -10.4378
-10.4314 -10.4308 -0.3905 -0.3832 4.8187 4.8692 4.9020 4.9726
5.5046 5.5899 6.1729 6.2196 6.4133 6.6002 7.2999 7.3684
8.5752 8.8642 10.0261 10.0521 11.7656 12.0050 13.0200 13.1003
13.4684 13.5247 13.8555 13.9157
k = 0.1913 0.1105 0.3124 ( 2856 PWs) bands (ev):
-30.5290 -30.5289 -13.4179 -13.4169 -13.4160 -13.4156 -11.8363 -11.8344
-11.4626 -11.4618 -11.4559 -11.4551 -10.4399 -10.4395 -10.4384 -10.4380
-10.4319 -10.4312 -0.4159 -0.4093 4.8148 4.8676 4.8956 4.9710
5.5108 5.5908 6.1951 6.2287 6.4039 6.5946 7.3657 7.4250
8.6568 8.9397 10.0792 10.1079 11.7221 11.9468 12.9647 13.0445
13.4138 13.4740 13.8268 13.9029
k = 0.1837 0.1060 0.2999 ( 2848 PWs) bands (ev):
-30.5290 -30.5290 -13.4178 -13.4168 -13.4160 -13.4157 -11.8358 -11.8340
-11.4620 -11.4613 -11.4556 -11.4548 -10.4400 -10.4396 -10.4386 -10.4382
-10.4324 -10.4317 -0.4417 -0.4358 4.8117 4.8667 4.8900 4.9693
5.5174 5.5922 6.2157 6.2378 6.3949 6.5886 7.4344 7.4856
8.7410 9.0175 10.1325 10.1644 11.6790 11.8885 12.9100 12.9889
13.3596 13.4241 13.7968 13.8865
k = 0.1760 0.1016 0.2874 ( 2848 PWs) bands (ev):
-30.5290 -30.5290 -13.4177 -13.4168 -13.4159 -13.4157 -11.8353 -11.8337
-11.4615 -11.4608 -11.4553 -11.4545 -10.4402 -10.4398 -10.4388 -10.4384
-10.4329 -10.4322 -0.4678 -0.4625 4.8095 4.8665 4.8852 4.9674
5.5245 5.5942 6.2349 6.2467 6.3866 6.5822 7.5059 7.5500
8.8274 9.0971 10.1860 10.2215 11.6368 11.8305 12.8560 12.9336
13.3063 13.3751 13.7654 13.8678
k = 0.1684 0.0972 0.2749 ( 2848 PWs) bands (ev):
-30.5291 -30.5290 -13.4176 -13.4167 -13.4159 -13.4157 -11.8348 -11.8333
-11.4609 -11.4603 -11.4550 -11.4542 -10.4404 -10.4400 -10.4390 -10.4386
-10.4335 -10.4328 -0.4939 -0.4893 4.8080 4.8669 4.8812 4.9654
5.5319 5.5966 6.2526 6.2554 6.3789 6.5754 7.5803 7.6180
8.9158 9.1783 10.2395 10.2791 11.5960 11.7735 12.8029 12.8787
13.2540 13.3272 13.7324 13.8476
k = 0.1607 0.0928 0.2624 ( 2842 PWs) bands (ev):
-30.5291 -30.5291 -13.4175 -13.4166 -13.4159 -13.4157 -11.8342 -11.8329
-11.4603 -11.4597 -11.4547 -11.4539 -10.4406 -10.4401 -10.4392 -10.4389
-10.4341 -10.4334 -0.5201 -0.5160 4.8073 4.8677 4.8777 4.9632
5.5398 5.5994 6.2639 6.2691 6.3719 6.5683 7.6573 7.6896
9.0058 9.2606 10.2929 10.3370 11.5572 11.7179 12.7511 12.8243
13.2030 13.2803 13.6976 13.8262
k = 0.1531 0.0884 0.2499 ( 2846 PWs) bands (ev):
-30.5292 -30.5291 -13.4174 -13.4166 -13.4158 -13.4158 -11.8337 -11.8325
-11.4597 -11.4592 -11.4544 -11.4537 -10.4408 -10.4403 -10.4393 -10.4391
-10.4347 -10.4340 -0.5461 -0.5426 4.8074 4.8690 4.8749 4.9608
5.5480 5.6026 6.2720 6.2842 6.3656 6.5609 7.7369 7.7645
9.0970 9.3434 10.3463 10.3951 11.5210 11.6644 12.7005 12.7706
13.1535 13.2345 13.6605 13.8034
k = 0.1454 0.0840 0.2375 ( 2846 PWs) bands (ev):
-30.5292 -30.5292 -13.4173 -13.4165 -13.4158 -13.4158 -11.8332 -11.8321
-11.4590 -11.4586 -11.4541 -11.4534 -10.4411 -10.4405 -10.4395 -10.4393
-10.4353 -10.4347 -0.5719 -0.5688 4.8081 4.8705 4.8725 4.9582
5.5566 5.6061 6.2799 6.2982 6.3601 6.5532 7.8189 7.8426
9.1890 9.4262 10.3996 10.4531 11.4879 11.6136 12.6515 12.7176
13.1056 13.1899 13.6205 13.7791
k = 0.1378 0.0795 0.2250 ( 2846 PWs) bands (ev):
-30.5292 -30.5292 -13.4171 -13.4164 -13.4158 -13.4158 -11.8326 -11.8317
-11.4584 -11.4580 -11.4538 -11.4532 -10.4413 -10.4408 -10.4397 -10.4395
-10.4360 -10.4354 -0.5972 -0.5945 4.8094 4.8706 4.8722 4.9553
5.5654 5.6099 6.2873 6.3109 6.3555 6.5452 7.9032 7.9235
9.2811 9.5082 10.4529 10.5110 11.4586 11.5662 12.6042 12.6656
13.0595 13.1464 13.5769 13.7528
k = 0.1301 0.0751 0.2125 ( 2846 PWs) bands (ev):
-30.5293 -30.5292 -13.4170 -13.4163 -13.4158 -13.4157 -11.8321 -11.8313
-11.4578 -11.4574 -11.4535 -11.4529 -10.4415 -10.4410 -10.4399 -10.4397
-10.4367 -10.4360 -0.6219 -0.6197 4.8113 4.8692 4.8741 4.9522
5.5743 5.6139 6.2944 6.3227 6.3518 6.5371 7.9895 8.0069
9.3728 9.5884 10.5064 10.5684 11.4336 11.5231 12.5587 12.6144
13.0152 13.1039 13.5289 13.7236
k = 0.1224 0.0707 0.2000 ( 2850 PWs) bands (ev):
-30.5293 -30.5293 -13.4169 -13.4162 -13.4158 -13.4157 -11.8316 -11.8309
-11.4572 -11.4568 -11.4533 -11.4527 -10.4417 -10.4412 -10.4401 -10.4399
-10.4373 -10.4367 -0.6460 -0.6441 4.8136 4.8681 4.8759 4.9489
5.5834 5.6182 6.3010 6.3333 6.3491 6.5287 8.0776 8.0925
9.4634 9.6659 10.5602 10.6251 11.4135 11.4850 12.5150 12.5644
12.9727 13.0624 13.4755 13.6902
k = 0.1148 0.0663 0.1875 ( 2842 PWs) bands (ev):
-30.5293 -30.5293 -13.4168 -13.4162 -13.4158 -13.4157 -11.8311 -11.8305
-11.4565 -11.4562 -11.4530 -11.4525 -10.4419 -10.4415 -10.4402 -10.4401
-10.4380 -10.4374 -0.6692 -0.6677 4.8164 4.8674 4.8777 4.9454
5.5925 5.6226 6.3072 6.3430 6.3473 6.5201 8.1672 8.1800
9.5518 9.7395 10.6148 10.6810 11.3989 11.4529 12.4734 12.5154
12.9323 13.0218 13.4159 13.6512
k = 0.1071 0.0619 0.1750 ( 2838 PWs) bands (ev):
-30.5294 -30.5293 -13.4167 -13.4161 -13.4158 -13.4156 -11.8306 -11.8301
-11.4559 -11.4556 -11.4527 -11.4522 -10.4422 -10.4417 -10.4404 -10.4403
-10.4386 -10.4381 -0.6915 -0.6903 4.8196 4.8671 4.8794 4.9417
5.6015 5.6272 6.3129 6.3467 6.3518 6.5114 8.2578 8.2688
9.6370 9.8079 10.6708 10.7359 11.3902 11.4278 12.4338 12.4675
12.8937 12.9820 13.3495 13.6043
k = 0.0995 0.0574 0.1625 ( 2836 PWs) bands (ev):
-30.5294 -30.5294 -13.4165 -13.4160 -13.4157 -13.4156 -11.8301 -11.8297
-11.4553 -11.4550 -11.4525 -11.4520 -10.4424 -10.4419 -10.4406 -10.4405
-10.4393 -10.4388 -0.7128 -0.7118 4.8230 4.8670 4.8809 4.9379
5.6103 5.6318 6.3181 6.3470 6.3596 6.5026 8.3490 8.3585
9.7178 9.8698 10.7288 10.7897 11.3877 11.4106 12.3961 12.4208
12.8571 12.9428 13.2760 13.5471
k = 0.0918 0.0530 0.1500 ( 2828 PWs) bands (ev):
-30.5294 -30.5294 -13.4164 -13.4159 -13.4157 -13.4156 -11.8296 -11.8293
-11.4546 -11.4544 -11.4522 -11.4518 -10.4426 -10.4422 -10.4407 -10.4406
-10.4399 -10.4394 -0.7329 -0.7322 4.8267 4.8671 4.8822 4.9339
5.6188 5.6365 6.3229 6.3485 6.3665 6.4937 8.4403 8.4484
9.7927 9.9241 10.7894 10.8430 11.3916 11.4021 12.3603 12.3751
12.8224 12.9040 13.1958 13.4780
k = 0.0842 0.0486 0.1375 ( 2820 PWs) bands (ev):
-30.5294 -30.5294 -13.4163 -13.4159 -13.4157 -13.4155 -11.8292 -11.8289
-11.4541 -11.4539 -11.4520 -11.4516 -10.4428 -10.4424 -10.4409 -10.4408
-10.4404 -10.4400 -0.7518 -0.7512 4.8306 4.8675 4.8833 4.9297
5.6270 5.6411 6.3272 6.3509 6.3726 6.4847 8.5311 8.5380
9.8603 9.9699 10.8533 10.8963 11.4016 11.4026 12.3261 12.3304
12.7895 12.8655 13.1100 13.3960
k = 0.0765 0.0442 0.1250 ( 2820 PWs) bands (ev):
-30.5295 -30.5295 -13.4162 -13.4158 -13.4157 -13.4155 -11.8288 -11.8286
-11.4535 -11.4534 -11.4518 -11.4515 -10.4430 -10.4426 -10.4412 -10.4410
-10.4407 -10.4405 -0.7694 -0.7689 4.8347 4.8681 4.8841 4.9254
5.6347 5.6457 6.3314 6.3541 6.3779 6.4756 8.6207 8.6264
9.9191 10.0068 10.9206 10.9508 11.4118 11.4175 12.2865 12.2928
12.7584 12.8271 13.0205 13.3025
k = 0.0689 0.0398 0.1125 ( 2814 PWs) bands (ev):
-30.5295 -30.5295 -13.4161 -13.4157 -13.4157 -13.4155 -11.8284 -11.8283
-11.4530 -11.4529 -11.4516 -11.4513 -10.4432 -10.4428 -10.4417 -10.4413
-10.4409 -10.4409 -0.7855 -0.7852 4.8389 4.8688 4.8847 4.9211
5.6418 5.6501 6.3356 6.3577 6.3823 6.4666 8.7081 8.7128
9.9680 10.0350 10.9913 11.0080 11.4290 11.4385 12.2431 12.2597
12.7288 12.7886 12.9300 13.2003
k = 0.0612 0.0353 0.1000 ( 2810 PWs) bands (ev):
-30.5295 -30.5295 -13.4160 -13.4157 -13.4157 -13.4155 -11.8280 -11.8279
-11.4526 -11.4524 -11.4514 -11.4512 -10.4433 -10.4430 -10.4421 -10.4418
-10.4410 -10.4410 -0.8002 -0.7999 4.8433 4.8698 4.8850 4.9167
5.6484 5.6544 6.3400 6.3617 6.3859 6.4575 8.7924 8.7961
10.0066 10.0550 11.0652 11.0692 11.4527 11.4640 12.1997 12.2253
12.7007 12.7497 12.8417 13.0933
k = 0.0536 0.0309 0.0875 ( 2809 PWs) bands (ev):
-30.5295 -30.5295 -13.4159 -13.4156 -13.4156 -13.4155 -11.8277 -11.8277
-11.4521 -11.4520 -11.4513 -11.4510 -10.4435 -10.4432 -10.4425 -10.4422
-10.4411 -10.4411 -0.8133 -0.8131 4.8477 4.8708 4.8851 4.9121
5.6542 5.6584 6.3447 6.3658 6.3888 6.4485 8.8725 8.8753
10.0349 10.0678 11.1354 11.1414 11.4810 11.4927 12.1557 12.1878
12.6740 12.7096 12.7604 12.9856
k = 0.0459 0.0265 0.0750 ( 2811 PWs) bands (ev):
-30.5295 -30.5295 -13.4158 -13.4156 -13.4156 -13.4155 -11.8275 -11.8275
-11.4518 -11.4517 -11.4512 -11.4509 -10.4436 -10.4434 -10.4429 -10.4426
-10.4412 -10.4412 -0.8247 -0.8246 4.8522 4.8720 4.8849 4.9076
5.6594 5.6620 6.3498 6.3698 6.3909 6.4396 8.9470 8.9490
10.0538 10.0746 11.2069 11.2195 11.5120 11.5235 12.1102 12.1447
12.6484 12.6649 12.6940 12.8814
k = 0.0383 0.0221 0.0625 ( 2811 PWs) bands (ev):
-30.5296 -30.5296 -13.4158 -13.4156 -13.4156 -13.4155 -11.8273 -11.8273
-11.4515 -11.4514 -11.4510 -11.4509 -10.4437 -10.4435 -10.4432 -10.4430
-10.4413 -10.4413 -0.8345 -0.8345 4.8567 4.8732 4.8845 4.9030
5.6637 5.6653 6.3553 6.3738 6.3922 6.4307 9.0144 9.0157
10.0647 10.0767 11.2833 11.2986 11.5435 11.5545 12.0619 12.0938
12.6147 12.6240 12.6476 12.7849
k = 0.0306 0.0177 0.0500 ( 2815 PWs) bands (ev):
-30.5296 -30.5296 -13.4157 -13.4156 -13.4155 -13.4155 -11.8271 -11.8271
-11.4512 -11.4512 -11.4510 -11.4508 -10.4438 -10.4437 -10.4435 -10.4433
-10.4413 -10.4413 -0.8426 -0.8426 4.8613 4.8745 4.8839 4.8984
5.6673 5.6681 6.3613 6.3775 6.3929 6.4220 9.0731 9.0739
10.0696 10.0757 11.3637 11.3782 11.5736 11.5839 12.0093 12.0340
12.5730 12.6008 12.6107 12.7001
k = 0.0230 0.0133 0.0375 ( 2811 PWs) bands (ev):
-30.5296 -30.5296 -13.4156 -13.4155 -13.4155 -13.4155 -11.8270 -11.8270
-11.4510 -11.4510 -11.4509 -11.4507 -10.4439 -10.4437 -10.4437 -10.4435
-10.4414 -10.4414 -0.8489 -0.8489 4.8659 4.8758 4.8831 4.8937
5.6700 5.6703 6.3677 6.3810 6.3929 6.4135 9.1214 9.1218
10.0704 10.0729 11.4464 11.4575 11.6004 11.6095 11.9515 11.9666
12.5454 12.5792 12.5793 12.6311
k = 0.0153 0.0088 0.0250 ( 2811 PWs) bands (ev):
-30.5296 -30.5296 -13.4156 -13.4155 -13.4155 -13.4155 -11.8269 -11.8269
-11.4508 -11.4508 -11.4508 -11.4507 -10.4439 -10.4438 -10.4438 -10.4437
-10.4414 -10.4414 -0.8534 -0.8534 4.8705 4.8772 4.8821 4.8891
5.6719 5.6720 6.3745 6.3841 6.3922 6.4051 9.1575 9.1576
10.0691 10.0698 11.5286 11.5351 11.6221 11.6291 11.8885 11.8950
12.5313 12.5544 12.5597 12.5806
k = 0.0077 0.0044 0.0125 ( 2813 PWs) bands (ev):
-30.5296 -30.5296 -13.4155 -13.4155 -13.4155 -13.4155 -11.8268 -11.8268
-11.4508 -11.4507 -11.4507 -11.4507 -10.4439 -10.4439 -10.4439 -10.4438
-10.4414 -10.4414 -0.8562 -0.8562 4.8751 4.8785 4.8810 4.8844
5.6731 5.6731 6.3817 6.3869 6.3910 6.3970 9.1798 9.1798
10.0674 10.0675 11.6036 11.6059 11.6368 11.6407 11.8255 11.8267
12.5283 12.5384 12.5433 12.5498
k = 0.0000 0.0000 0.0000 ( 2837 PWs) bands (ev):
-30.5296 -30.5296 -13.4155 -13.4155 -13.4155 -13.4155 -11.8269 -11.8269
-11.4508 -11.4508 -11.4508 -11.4508 -10.4439 -10.4439 -10.4439 -10.4439
-10.4414 -10.4414 -0.8571 -0.8571 4.8798 4.8798 4.8798 4.8798
5.6734 5.6734 6.3892 6.3892 6.3892 6.3892 9.1874 9.1874
10.0667 10.0667 11.6433 11.6433 11.6433 11.6433 11.7898 11.7898
12.5344 12.5344 12.5344 12.5344
k = 0.0000 0.0000 0.0000 ( 2837 PWs) bands (ev):
-30.5296 -30.5296 -13.4155 -13.4155 -13.4155 -13.4155 -11.8269 -11.8269
-11.4508 -11.4508 -11.4508 -11.4508 -10.4439 -10.4439 -10.4439 -10.4439
-10.4414 -10.4414 -0.8571 -0.8571 4.8798 4.8798 4.8798 4.8798
5.6734 5.6734 6.3892 6.3892 6.3892 6.3892 9.1874 9.1874
10.0667 10.0667 11.6433 11.6433 11.6433 11.6433 11.7898 11.7898
12.5344 12.5344 12.5344 12.5344
k = 0.0125 0.0072 0.0051 ( 2813 PWs) bands (ev):
-30.5296 -30.5296 -13.4155 -13.4155 -13.4155 -13.4155 -11.8268 -11.8268
-11.4508 -11.4507 -11.4507 -11.4507 -10.4439 -10.4439 -10.4439 -10.4438
-10.4414 -10.4414 -0.8562 -0.8562 4.8750 4.8798 4.8798 4.8846
5.6731 5.6731 6.3814 6.3889 6.3889 6.3973 9.1798 9.1798
10.0675 10.0675 11.6056 11.6056 11.6354 11.6399 11.8263 11.8263
12.5279 12.5415 12.5415 12.5490
k = 0.0250 0.0144 0.0102 ( 2801 PWs) bands (ev):
-30.5296 -30.5296 -13.4156 -13.4155 -13.4155 -13.4155 -11.8268 -11.8268
-11.4508 -11.4508 -11.4508 -11.4507 -10.4439 -10.4438 -10.4438 -10.4437
-10.4414 -10.4414 -0.8534 -0.8534 4.8702 4.8796 4.8796 4.8894
5.6720 5.6720 6.3741 6.3881 6.3881 6.4058 9.1574 9.1574
10.0696 10.0696 11.5350 11.5350 11.6162 11.6257 11.8934 11.8934
12.5296 12.5626 12.5626 12.5708
k = 0.0375 0.0217 0.0153 ( 2816 PWs) bands (ev):
-30.5296 -30.5296 -13.4156 -13.4155 -13.4155 -13.4155 -11.8270 -11.8270
-11.4510 -11.4510 -11.4509 -11.4508 -10.4438 -10.4437 -10.4437 -10.4436
-10.4414 -10.4414 -0.8489 -0.8489 4.8655 4.8794 4.8794 4.8942
5.6702 5.6702 6.3672 6.3866 6.3866 6.4145 9.1212 9.1212
10.0722 10.0722 11.4585 11.4585 11.5867 11.6018 11.9637 11.9637
12.5388 12.5980 12.5980 12.5986
k = 0.0500 0.0289 0.0204 ( 2816 PWs) bands (ev):
-30.5296 -30.5296 -13.4157 -13.4155 -13.4155 -13.4155 -11.8271 -11.8271
-11.4512 -11.4512 -11.4510 -11.4508 -10.4436 -10.4436 -10.4436 -10.4434
-10.4413 -10.4413 -0.8426 -0.8426 4.8609 4.8792 4.8792 4.8988
5.6677 5.6677 6.3608 6.3847 6.3847 6.4235 9.0725 9.0725
10.0743 10.0743 11.3823 11.3823 11.5481 11.5697 12.0315 12.0315
12.5547 12.6310 12.6473 12.6473
k = 0.0625 0.0361 0.0255 ( 2816 PWs) bands (ev):
-30.5296 -30.5296 -13.4157 -13.4156 -13.4156 -13.4155 -11.8273 -11.8273
-11.4514 -11.4514 -11.4511 -11.4509 -10.4435 -10.4434 -10.4434 -10.4431
-10.4413 -10.4413 -0.8345 -0.8345 4.8565 4.8788 4.8788 4.9034
5.6645 5.6645 6.3549 6.3821 6.3821 6.4327 9.0126 9.0126
10.0747 10.0747 11.3086 11.3086 11.5021 11.5309 12.0951 12.0951
12.5759 12.6665 12.7097 12.7097
k = 0.0750 0.0433 0.0306 ( 2815 PWs) bands (ev):
-30.5295 -30.5295 -13.4158 -13.4156 -13.4156 -13.4155 -11.8275 -11.8275
-11.4517 -11.4517 -11.4512 -11.4510 -10.4432 -10.4432 -10.4432 -10.4428
-10.4412 -10.4412 -0.8247 -0.8247 4.8521 4.8784 4.8784 4.9078
5.6607 5.6607 6.3496 6.3790 6.3790 6.4420 8.9433 8.9433
10.0724 10.0724 11.2388 11.2388 11.4502 11.4866 12.1545 12.1545
12.6014 12.7041 12.7837 12.7837
k = 0.0875 0.0505 0.0357 ( 2815 PWs) bands (ev):
-30.5295 -30.5295 -13.4159 -13.4156 -13.4156 -13.4155 -11.8277 -11.8277
-11.4521 -11.4521 -11.4514 -11.4511 -10.4430 -10.4430 -10.4429 -10.4425
-10.4412 -10.4412 -0.8132 -0.8132 4.8480 4.8780 4.8780 4.9120
5.6564 5.6564 6.3449 6.3753 6.3753 6.4515 8.8659 8.8659
10.0666 10.0666 11.1735 11.1735 11.3937 11.4380 12.2106 12.2106
12.6302 12.7428 12.8674 12.8674
k = 0.1000 0.0577 0.0408 ( 2821 PWs) bands (ev):
-30.5295 -30.5295 -13.4160 -13.4157 -13.4157 -13.4156 -11.8280 -11.8280
-11.4525 -11.4525 -11.4515 -11.4512 -10.4427 -10.4427 -10.4426 -10.4421
-10.4411 -10.4411 -0.8000 -0.8000 4.8440 4.8776 4.8776 4.9161
5.6515 5.6515 6.3408 6.3710 6.3710 6.4610 8.7817 8.7817
10.0567 10.0567 11.1134 11.1134 11.3339 11.3861 12.2644 12.2644
12.6615 12.7821 12.9589 12.9589
k = 0.1125 0.0650 0.0459 ( 2821 PWs) bands (ev):
-30.5295 -30.5295 -13.4161 -13.4157 -13.4157 -13.4156 -11.8284 -11.8284
-11.4529 -11.4529 -11.4517 -11.4514 -10.4425 -10.4425 -10.4422 -10.4416
-10.4410 -10.4410 -0.7853 -0.7853 4.8403 4.8771 4.8771 4.9199
5.6461 5.6461 6.3374 6.3662 6.3662 6.4705 8.6919 8.6919
10.0423 10.0423 11.0588 11.0588 11.2716 11.3316 12.3169 12.3169
12.6948 12.8214 13.0562 13.0562
k = 0.1250 0.0722 0.0510 ( 2824 PWs) bands (ev):
-30.5295 -30.5295 -13.4161 -13.4157 -13.4157 -13.4156 -11.8287 -11.8287
-11.4534 -11.4534 -11.4519 -11.4515 -10.4421 -10.4421 -10.4418 -10.4412
-10.4408 -10.4408 -0.7691 -0.7691 4.8368 4.8767 4.8767 4.9235
5.6404 5.6404 6.3347 6.3607 6.3607 6.4800 8.5976 8.5976
10.0234 10.0234 11.0099 11.0099 11.2078 11.2753 12.3690 12.3690
12.7296 12.8607 13.1577 13.1577
k = 0.1375 0.0794 0.0561 ( 2818 PWs) bands (ev):
-30.5294 -30.5294 -13.4162 -13.4158 -13.4158 -13.4157 -11.8291 -11.8291
-11.4539 -11.4539 -11.4521 -11.4517 -10.4418 -10.4418 -10.4413 -10.4407
-10.4407 -10.4407 -0.7514 -0.7514 4.8336 4.8763 4.8763 4.9268
5.6343 5.6343 6.3327 6.3546 6.3546 6.4894 8.4998 8.4998
10.0000 10.0001 10.9665 10.9665 11.1431 11.2176 12.4210 12.4210
12.7657 12.8999 13.2620 13.2620
k = 0.1500 0.0866 0.0612 ( 2824 PWs) bands (ev):
-30.5294 -30.5294 -13.4163 -13.4158 -13.4158 -13.4158 -11.8295 -11.8295
-11.4545 -11.4545 -11.4523 -11.4519 -10.4414 -10.4414 -10.4408 -10.4406
-10.4406 -10.4401 -0.7324 -0.7324 4.8306 4.8761 4.8761 4.9298
5.6279 5.6279 6.3314 6.3478 6.3478 6.4986 8.3993 8.3993
9.9726 9.9726 10.9286 10.9286 11.0779 11.1591 12.4734 12.4734
12.8030 12.9390 13.3679 13.3679
k = 0.1625 0.0938 0.0663 ( 2824 PWs) bands (ev):
-30.5294 -30.5294 -13.4164 -13.4159 -13.4159 -13.4158 -11.8299 -11.8299
-11.4551 -11.4551 -11.4525 -11.4521 -10.4411 -10.4411 -10.4404 -10.4404
-10.4403 -10.4396 -0.7121 -0.7121 4.8280 4.8759 4.8759 4.9325
5.6212 5.6212 6.3309 6.3404 6.3404 6.5077 8.2970 8.2970
9.9416 9.9416 10.8957 10.8957 11.0128 11.1001 12.5262 12.5262
12.8414 12.9782 13.4742 13.4742
k = 0.1750 0.1010 0.0714 ( 2824 PWs) bands (ev):
-30.5293 -30.5293 -13.4165 -13.4159 -13.4159 -13.4159 -11.8304 -11.8304
-11.4557 -11.4557 -11.4528 -11.4523 -10.4408 -10.4408 -10.4401 -10.4401
-10.4398 -10.4390 -0.6907 -0.6907 4.8256 4.8760 4.8760 4.9348
5.6144 5.6144 6.3311 6.3322 6.3322 6.5165 8.1936 8.1936
9.9075 9.9075 10.8674 10.8674 10.9482 11.0410 12.5796 12.5796
12.8807 13.0176 13.5800 13.5800
k = 0.1875 0.1083 0.0765 ( 2833 PWs) bands (ev):
-30.5293 -30.5293 -13.4166 -13.4160 -13.4160 -13.4160 -11.8309 -11.8309
-11.4564 -11.4564 -11.4530 -11.4525 -10.4405 -10.4405 -10.4398 -10.4398
-10.4392 -10.4384 -0.6682 -0.6682 4.8236 4.8763 4.8763 4.9368
5.6073 5.6073 6.3233 6.3233 6.3321 6.5250 8.0899 8.0899
9.8709 9.8709 10.8434 10.8434 10.8843 10.9821 12.6334 12.6334
12.9211 13.0572 13.6842 13.6842
k = 0.2000 0.1155 0.0816 ( 2830 PWs) bands (ev):
-30.5293 -30.5293 -13.4167 -13.4161 -13.4160 -13.4160 -11.8313 -11.8313
-11.4570 -11.4570 -11.4533 -11.4527 -10.4402 -10.4402 -10.4395 -10.4395
-10.4386 -10.4378 -0.6448 -0.6448 4.8219 4.8768 4.8768 4.9384
5.6002 5.6002 6.3136 6.3136 6.3339 6.5332 7.9865 7.9865
9.8326 9.8326 10.8216 10.8231 10.8231 10.9236 12.6878 12.6878
12.9625 13.0974 13.7857 13.7857
k = 0.2125 0.1227 0.0868 ( 2857 PWs) bands (ev):
-30.5293 -30.5293 -13.4169 -13.4162 -13.4161 -13.4161 -11.8319 -11.8319
-11.4577 -11.4577 -11.4536 -11.4531 -10.4401 -10.4401 -10.4390 -10.4390
-10.4380 -10.4371 -0.6205 -0.6205 4.8205 4.8778 4.8778 4.9396
5.5929 5.5929 6.3030 6.3030 6.3364 6.5411 7.8840 7.8840
9.7930 9.7930 10.7601 10.8061 10.8061 10.8656 12.7424 12.7424
13.0048 13.1382 13.8833 13.8833
k = 0.2250 0.1299 0.0919 ( 2854 PWs) bands (ev):
-30.5292 -30.5292 -13.4170 -13.4163 -13.4161 -13.4161 -11.8324 -11.8324
-11.4584 -11.4584 -11.4538 -11.4533 -10.4399 -10.4399 -10.4386 -10.4386
-10.4374 -10.4365 -0.5956 -0.5956 4.8195 4.8791 4.8791 4.9404
5.5855 5.5855 6.2915 6.2915 6.3397 6.5485 7.7831 7.7831
9.7528 9.7528 10.7002 10.7920 10.7920 10.8086 12.7974 12.7974
13.0482 13.1797 13.9759 13.9759
k = 0.2375 0.1371 0.0970 ( 2854 PWs) bands (ev):
-30.5292 -30.5292 -13.4171 -13.4163 -13.4162 -13.4162 -11.8330 -11.8330
-11.4591 -11.4591 -11.4541 -11.4536 -10.4397 -10.4397 -10.4381 -10.4381
-10.4367 -10.4358 -0.5701 -0.5701 4.8188 4.8810 4.8810 4.9408
5.5780 5.5780 6.2789 6.2789 6.3438 6.5554 7.6842 7.6842
9.7123 9.7123 10.6420 10.7526 10.7804 10.7804 12.8526 12.8526
13.0926 13.2220 14.0617 14.0617
k = 0.2500 0.1443 0.1021 ( 2860 PWs) bands (ev):
-30.5292 -30.5292 -13.4172 -13.4164 -13.4163 -13.4163 -11.8335 -11.8335
-11.4597 -11.4597 -11.4544 -11.4538 -10.4395 -10.4395 -10.4376 -10.4376
-10.4361 -10.4352 -0.5441 -0.5441 4.8185 4.8835 4.8835 4.9408
5.5703 5.5703 6.2653 6.2653 6.3486 6.5617 7.5880 7.5880
9.6720 9.6720 10.5857 10.6979 10.7710 10.7710 12.9079 12.9079
13.1381 13.2652 14.1388 14.1388
k = 0.2625 0.1516 0.1072 ( 2860 PWs) bands (ev):
-30.5291 -30.5291 -13.4173 -13.4166 -13.4163 -13.4163 -11.8340 -11.8340
-11.4604 -11.4604 -11.4546 -11.4541 -10.4393 -10.4393 -10.4372 -10.4372
-10.4354 -10.4346 -0.5180 -0.5180 4.8186 4.8866 4.8866 4.9405
5.5623 5.5623 6.2506 6.2506 6.3541 6.5675 7.4949 7.4949
9.6323 9.6323 10.5316 10.6444 10.7636 10.7636 12.9633 12.9633
13.1845 13.3093 14.2047 14.2047
k = 0.2750 0.1588 0.1123 ( 2866 PWs) bands (ev):
-30.5291 -30.5291 -13.4174 -13.4167 -13.4164 -13.4164 -11.8346 -11.8346
-11.4611 -11.4611 -11.4549 -11.4543 -10.4392 -10.4392 -10.4367 -10.4367
-10.4348 -10.4339 -0.4917 -0.4917 4.8190 4.8905 4.8905 4.9397
5.5540 5.5540 6.2346 6.2346 6.3604 6.5727 7.4056 7.4056
9.5935 9.5935 10.4797 10.5925 10.7579 10.7579 13.0186 13.0186
13.2320 13.3542 14.2562 14.2562
k = 0.2875 0.1660 0.1174 ( 2860 PWs) bands (ev):
-30.5290 -30.5290 -13.4175 -13.4168 -13.4164 -13.4164 -11.8351 -11.8351
-11.4617 -11.4617 -11.4551 -11.4546 -10.4390 -10.4390 -10.4362 -10.4362
-10.4341 -10.4333 -0.4654 -0.4654 4.8197 4.8953 4.8953 4.9385
5.5453 5.5453 6.2174 6.2174 6.3673 6.5772 7.3205 7.3205
9.5558 9.5558 10.4302 10.5423 10.7536 10.7536 13.0739 13.0739
13.2804 13.4001 14.2904 14.2904
k = 0.3000 0.1732 0.1225 ( 2860 PWs) bands (ev):
-30.5290 -30.5290 -13.4176 -13.4169 -13.4165 -13.4165 -11.8356 -11.8356
-11.4623 -11.4623 -11.4554 -11.4548 -10.4388 -10.4388 -10.4358 -10.4358
-10.4335 -10.4327 -0.4394 -0.4394 4.8209 4.9010 4.9010 4.9370
5.5360 5.5360 6.1989 6.1989 6.3748 6.5810 7.2400 7.2400
9.5194 9.5194 10.3832 10.4938 10.7506 10.7506 13.1289 13.1289
13.3297 13.4467 14.3052 14.3052
k = 0.3125 0.1804 0.1276 ( 2857 PWs) bands (ev):
-30.5290 -30.5290 -13.4176 -13.4170 -13.4166 -13.4166 -11.8361 -11.8361
-11.4629 -11.4629 -11.4556 -11.4551 -10.4386 -10.4386 -10.4353 -10.4353
-10.4329 -10.4321 -0.4138 -0.4138 4.8223 4.9079 4.9079 4.9351
5.5260 5.5260 6.1792 6.1792 6.3829 6.5841 7.1646 7.1646
9.4846 9.4846 10.3389 10.4472 10.7488 10.7488 13.1836 13.1836
13.3798 13.4941 14.3012 14.3012
k = 0.3250 0.1876 0.1327 ( 2866 PWs) bands (ev):
-30.5289 -30.5289 -13.4177 -13.4171 -13.4166 -13.4166 -11.8366 -11.8366
-11.4635 -11.4635 -11.4558 -11.4553 -10.4385 -10.4385 -10.4349 -10.4349
-10.4323 -10.4315 -0.3887 -0.3887 4.8241 4.9158 4.9158 4.9328
5.5150 5.5150 6.1583 6.1583 6.3915 6.5864 7.0946 7.0946
9.4514 9.4514 10.2974 10.4026 10.7479 10.7479 13.2378 13.2378
13.4306 13.5420 14.2816 14.2816
k = 0.3375 0.1949 0.1378 ( 2872 PWs) bands (ev):
-30.5289 -30.5289 -13.4178 -13.4172 -13.4167 -13.4167 -11.8371 -11.8371
-11.4641 -11.4641 -11.4560 -11.4556 -10.4383 -10.4383 -10.4344 -10.4344
-10.4317 -10.4310 -0.3644 -0.3644 4.8262 4.9250 4.9250 4.9302
5.5030 5.5030 6.1365 6.1365 6.4007 6.5879 7.0303 7.0303
9.4201 9.4201 10.2587 10.3602 10.7478 10.7478 13.2913 13.2913
13.4819 13.5902 14.2508 14.2508
k = 0.3500 0.2021 0.1429 ( 2863 PWs) bands (ev):
-30.5289 -30.5289 -13.4179 -13.4173 -13.4167 -13.4167 -11.8375 -11.8375
-11.4646 -11.4646 -11.4562 -11.4558 -10.4382 -10.4382 -10.4340 -10.4340
-10.4312 -10.4305 -0.3410 -0.3410 4.8287 4.9272 4.9355 4.9355
5.4895 5.4895 6.1141 6.1141 6.4102 6.5886 6.9719 6.9719
9.3908 9.3908 10.2229 10.3199 10.7484 10.7484 13.3439 13.3439
13.5337 13.6387 14.2131 14.2131
k = 0.3625 0.2093 0.1480 ( 2863 PWs) bands (ev):
-30.5288 -30.5288 -13.4179 -13.4174 -13.4168 -13.4168 -11.8379 -11.8379
-11.4651 -11.4651 -11.4564 -11.4560 -10.4380 -10.4380 -10.4337 -10.4337
-10.4307 -10.4300 -0.3187 -0.3187 4.8314 4.9240 4.9475 4.9475
5.4745 5.4745 6.0914 6.0914 6.4201 6.5884 6.9194 6.9194
9.3635 9.3635 10.1903 10.2820 10.7495 10.7495 13.3951 13.3951
13.5855 13.6869 14.1720 14.1720
k = 0.3750 0.2165 0.1531 ( 2869 PWs) bands (ev):
-30.5288 -30.5288 -13.4180 -13.4175 -13.4168 -13.4168 -11.8384 -11.8384
-11.4656 -11.4656 -11.4566 -11.4562 -10.4379 -10.4379 -10.4333 -10.4333
-10.4302 -10.4296 -0.2977 -0.2977 4.8344 4.9205 4.9609 4.9609
5.4578 5.4578 6.0688 6.0688 6.4303 6.5874 6.8728 6.8728
9.3383 9.3383 10.1607 10.2466 10.7511 10.7511 13.4446 13.4446
13.6372 13.7346 14.1302 14.1302
k = 0.3875 0.2237 0.1582 ( 2863 PWs) bands (ev):
-30.5288 -30.5288 -13.4180 -13.4176 -13.4169 -13.4169 -11.8387 -11.8387
-11.4660 -11.4660 -11.4567 -11.4564 -10.4378 -10.4378 -10.4330 -10.4330
-10.4297 -10.4292 -0.2780 -0.2780 4.8377 4.9168 4.9758 4.9758
5.4392 5.4392 6.0470 6.0470 6.4408 6.5855 6.8319 6.8319
9.3154 9.3154 10.1343 10.2136 10.7529 10.7529 13.4918 13.4918
13.6883 13.7812 14.0898 14.0898
k = 0.4000 0.2309 0.1633 ( 2869 PWs) bands (ev):
-30.5288 -30.5288 -13.4181 -13.4177 -13.4169 -13.4169 -11.8391 -11.8391
-11.4664 -11.4664 -11.4569 -11.4565 -10.4377 -10.4377 -10.4327 -10.4327
-10.4293 -10.4288 -0.2600 -0.2600 4.8413 4.9128 4.9922 4.9922
5.4187 5.4187 6.0264 6.0264 6.4514 6.5828 6.7965 6.7965
9.2947 9.2947 10.1111 10.1833 10.7549 10.7549 13.5360 13.5360
13.7385 13.8261 14.0525 14.0525
k = 0.4125 0.2382 0.1684 ( 2863 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4177 -13.4170 -13.4170 -11.8393 -11.8393
-11.4667 -11.4667 -11.4570 -11.4567 -10.4376 -10.4376 -10.4324 -10.4324
-10.4289 -10.4285 -0.2437 -0.2437 4.8451 4.9086 5.0101 5.0101
5.3964 5.3964 6.0074 6.0074 6.4621 6.5792 6.7662 6.7662
9.2763 9.2763 10.0912 10.1557 10.7570 10.7570 13.5762 13.5762
13.7872 13.8686 14.0196 14.0196
k = 0.4250 0.2454 0.1735 ( 2863 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4178 -13.4170 -13.4170 -11.8396 -11.8396
-11.4670 -11.4670 -11.4571 -11.4568 -10.4375 -10.4375 -10.4322 -10.4322
-10.4286 -10.4282 -0.2293 -0.2293 4.8491 4.9042 5.0294 5.0294
5.3725 5.3725 5.9905 5.9905 6.4728 6.5748 6.7408 6.7408
9.2603 9.2603 10.0746 10.1309 10.7590 10.7590 13.6115 13.6115
13.8337 13.9078 13.9922 13.9922
k = 0.4375 0.2526 0.1786 ( 2863 PWs) bands (ev):
-30.5287 -30.5287 -13.4182 -13.4179 -13.4170 -13.4170 -11.8398 -11.8398
-11.4673 -11.4673 -11.4572 -11.4570 -10.4374 -10.4374 -10.4320 -10.4320
-10.4283 -10.4280 -0.2168 -0.2168 4.8533 4.8997 5.0500 5.0500
5.3474 5.3474 5.9760 5.9760 6.4834 6.5696 6.7199 6.7199
9.2467 9.2467 10.0613 10.1090 10.7609 10.7609 13.6409 13.6409
13.8772 13.9426 13.9711 13.9711
k = 0.4500 0.2598 0.1837 ( 2869 PWs) bands (ev):
-30.5287 -30.5287 -13.4182 -13.4179 -13.4170 -13.4170 -11.8401 -11.8401
-11.4676 -11.4676 -11.4572 -11.4571 -10.4373 -10.4373 -10.4318 -10.4318
-10.4280 -10.4278 -0.2065 -0.2065 4.8576 4.8951 5.0714 5.0714
5.3216 5.3216 5.9641 5.9641 6.4939 6.5636 6.7032 6.7032
9.2356 9.2356 10.0514 10.0900 10.7626 10.7626 13.6635 13.6635
13.9166 13.9566 13.9566 13.9719
k = 0.4625 0.2670 0.1888 ( 2863 PWs) bands (ev):
-30.5287 -30.5287 -13.4182 -13.4180 -13.4171 -13.4171 -11.8402 -11.8402
-11.4677 -11.4677 -11.4573 -11.4571 -10.4373 -10.4373 -10.4317 -10.4317
-10.4278 -10.4276 -0.1983 -0.1983 4.8621 4.8904 5.0931 5.0931
5.2962 5.2962 5.9547 5.9547 6.5041 6.5569 6.6905 6.6905
9.2269 9.2269 10.0448 10.0740 10.7640 10.7640 13.6793 13.6793
13.9482 13.9482 13.9510 13.9944
k = 0.4750 0.2742 0.1939 ( 2863 PWs) bands (ev):
-30.5287 -30.5287 -13.4182 -13.4180 -13.4171 -13.4171 -11.8403 -11.8403
-11.4678 -11.4678 -11.4573 -11.4572 -10.4372 -10.4372 -10.4316 -10.4316
-10.4277 -10.4275 -0.1925 -0.1925 4.8667 4.8857 5.1137 5.1137
5.2728 5.2728 5.9481 5.9481 6.5141 6.5495 6.6816 6.6816
9.2207 9.2207 10.0415 10.0611 10.7650 10.7650 13.6890 13.6890
13.9444 13.9444 13.9790 14.0091
k = 0.4875 0.2815 0.1990 ( 2881 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4171 -11.8404 -11.8404
-11.4679 -11.4679 -11.4574 -11.4573 -10.4372 -10.4372 -10.4315 -10.4315
-10.4276 -10.4275 -0.1889 -0.1889 4.8714 4.8809 5.1302 5.1302
5.2544 5.2544 5.9441 5.9441 6.5237 6.5414 6.6763 6.6763
9.2169 9.2169 10.0415 10.0514 10.7657 10.7657 13.6940 13.6940
13.9432 13.9432 13.9995 14.0149
k = 0.5000 0.2887 0.2041 ( 2884 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4171 -11.8404 -11.8404
-11.4680 -11.4680 -11.4573 -11.4573 -10.4372 -10.4372 -10.4315 -10.4315
-10.4275 -10.4275 -0.1877 -0.1877 4.8761 4.8761 5.1370 5.1370
5.2470 5.2470 5.9428 5.9428 6.5328 6.5328 6.6745 6.6745
9.2157 9.2157 10.0448 10.0448 10.7659 10.7659 13.6956 13.6956
13.9430 13.9430 14.0117 14.0117
k = 0.5000 0.2887 0.2041 ( 2884 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4171 -11.8404 -11.8404
-11.4680 -11.4680 -11.4573 -11.4573 -10.4372 -10.4372 -10.4315 -10.4315
-10.4275 -10.4275 -0.1877 -0.1877 4.8761 4.8761 5.1370 5.1370
5.2470 5.2470 5.9428 5.9428 6.5328 6.5328 6.6745 6.6745
9.2157 9.2157 10.0448 10.0448 10.7659 10.7659 13.6956 13.6956
13.9430 13.9430 14.0117 14.0117
k = 0.5043 0.2762 0.2112 ( 2881 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4171 -11.8406 -11.8403
-11.4681 -11.4679 -11.4573 -11.4573 -10.4372 -10.4372 -10.4315 -10.4315
-10.4275 -10.4275 -0.1880 -0.1870 4.8762 4.8762 5.1257 5.1480
5.2417 5.2542 5.9362 5.9497 6.5331 6.5331 6.6706 6.6785
9.1954 9.2271 10.0328 10.0336 10.7632 10.7996 13.6741 13.7142
13.9236 13.9538 14.0141 14.0150
k = 0.5086 0.2638 0.2182 ( 2865 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4170 -11.8406 -11.8401
-11.4681 -11.4677 -11.4573 -11.4573 -10.4372 -10.4372 -10.4316 -10.4316
-10.4276 -10.4276 -0.1878 -0.1857 4.8762 4.8764 5.1150 5.1575
5.2394 5.2626 5.9298 5.9570 6.5340 6.5341 6.6668 6.6827
9.1664 9.2295 9.9983 10.0040 10.7907 10.8593 13.6497 13.7301
13.8982 13.9563 14.0195 14.0245
k = 0.5129 0.2513 0.2252 ( 2865 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4170 -11.8407 -11.8399
-11.4681 -11.4676 -11.4573 -11.4573 -10.4373 -10.4372 -10.4317 -10.4316
-10.4277 -10.4277 -0.1871 -0.1839 4.8763 4.8768 5.1052 5.1641
5.2417 5.2717 5.9237 5.9647 6.5355 6.5357 6.6630 6.6870
9.1289 9.2228 9.9475 9.9631 10.8424 10.9376 13.6221 13.7430
13.8688 13.9538 14.0260 14.0370
k = 0.5172 0.2389 0.2323 ( 2864 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4180 -13.4170 -13.4169 -11.8408 -11.8398
-11.4681 -11.4675 -11.4574 -11.4574 -10.4373 -10.4372 -10.4318 -10.4317
-10.4278 -10.4278 -0.1859 -0.1817 4.8763 4.8775 5.0965 5.1666
5.2495 5.2813 5.9178 5.9729 6.5375 6.5379 6.6593 6.6915
9.0832 9.2067 9.8878 9.9169 10.9109 11.0283 13.5915 13.7512
13.8383 13.9496 14.0328 14.0501
k = 0.5216 0.2265 0.2393 ( 2864 PWs) bands (ev):
-30.5287 -30.5286 -13.4180 -13.4180 -13.4170 -13.4169 -11.8408 -11.8396
-11.4681 -11.4674 -11.4574 -11.4574 -10.4373 -10.4371 -10.4319 -10.4318
-10.4280 -10.4280 -0.1842 -0.1790 4.8762 4.8785 5.0892 5.1656
5.2623 5.2913 5.9120 5.9816 6.5401 6.5407 6.6556 6.6962
9.0301 9.1809 9.8253 9.8690 10.9903 11.1268 13.5583 13.7477
13.8144 13.9455 14.0396 14.0627
k = 0.5259 0.2140 0.2464 ( 2859 PWs) bands (ev):
-30.5287 -30.5286 -13.4180 -13.4179 -13.4170 -13.4168 -11.8408 -11.8394
-11.4681 -11.4672 -11.4575 -11.4575 -10.4373 -10.4371 -10.4321 -10.4320
-10.4282 -10.4282 -0.1821 -0.1759 4.8760 4.8799 5.0831 5.1622
5.2787 5.3015 5.9063 5.9908 6.5431 6.5442 6.6520 6.7012
8.9702 9.1454 9.7640 9.8216 11.0762 11.2299 13.5230 13.7229
13.8079 13.9421 14.0463 14.0746
k = 0.5302 0.2016 0.2534 ( 2861 PWs) bands (ev):
-30.5287 -30.5286 -13.4180 -13.4179 -13.4169 -13.4167 -11.8409 -11.8392
-11.4681 -11.4670 -11.4575 -11.4575 -10.4373 -10.4371 -10.4323 -10.4322
-10.4285 -10.4285 -0.1795 -0.1724 4.8756 4.8816 5.0785 5.1576
5.2975 5.3118 5.9008 6.0007 6.5465 6.5482 6.6485 6.7065
8.9047 9.1005 9.7063 9.7757 11.1657 11.3354 13.4866 13.6837
13.8127 13.9397 14.0528 14.0856
k = 0.5345 0.1891 0.2604 ( 2859 PWs) bands (ev):
-30.5287 -30.5286 -13.4180 -13.4178 -13.4169 -13.4166 -11.8409 -11.8390
-11.4681 -11.4669 -11.4576 -11.4576 -10.4373 -10.4371 -10.4325 -10.4324
-10.4287 -10.4287 -0.1766 -0.1684 4.8751 4.8838 5.0753 5.1525
5.3179 5.3220 5.8954 6.0111 6.5502 6.5528 6.6451 6.7122
8.8346 9.0471 9.6534 9.7316 11.2561 11.4414 13.4500 13.6392
13.8210 13.9387 14.0590 14.0957
k = 0.5388 0.1767 0.2675 ( 2859 PWs) bands (ev):
-30.5287 -30.5286 -13.4179 -13.4177 -13.4168 -13.4165 -11.8409 -11.8387
-11.4680 -11.4667 -11.4577 -11.4577 -10.4374 -10.4371 -10.4328 -10.4327
-10.4290 -10.4290 -0.1732 -0.1641 4.8744 4.8864 5.0734 5.1473
5.3322 5.3393 5.8901 6.0221 6.5541 6.5579 6.6420 6.7182
8.7611 8.9865 9.6052 9.6893 11.3454 11.5463 13.4147 13.5930
13.8304 13.9389 14.0650 14.1050
k = 0.5431 0.1642 0.2745 ( 2858 PWs) bands (ev):
-30.5287 -30.5286 -13.4179 -13.4176 -13.4167 -13.4163 -11.8408 -11.8385
-11.4680 -11.4665 -11.4578 -11.4578 -10.4374 -10.4371 -10.4330 -10.4330
-10.4293 -10.4292 -0.1695 -0.1595 4.8737 4.8895 5.0727 5.1421
5.3422 5.3613 5.8851 6.0336 6.5580 6.5633 6.6392 6.7246
8.6853 8.9205 9.5613 9.6487 11.4318 11.6486 13.3820 13.5472
13.8403 13.9405 14.0708 14.1135
k = 0.5474 0.1518 0.2816 ( 2868 PWs) bands (ev):
-30.5287 -30.5286 -13.4179 -13.4175 -13.4167 -13.4162 -11.8408 -11.8383
-11.4680 -11.4663 -11.4580 -11.4579 -10.4374 -10.4371 -10.4334 -10.4333
-10.4296 -10.4295 -0.1654 -0.1546 4.8730 4.8930 5.0733 5.1371
5.3519 5.3837 5.8804 6.0457 6.5617 6.5691 6.6369 6.7315
8.6082 8.8508 9.5208 9.6095 11.5134 11.7465 13.3536 13.5037
13.8505 13.9434 14.0763 14.1212
k = 0.5517 0.1394 0.2886 ( 2871 PWs) bands (ev):
-30.5286 -30.5286 -13.4178 -13.4174 -13.4166 -13.4160 -11.8408 -11.8381
-11.4679 -11.4661 -11.4581 -11.4580 -10.4374 -10.4371 -10.4337 -10.4337
-10.4299 -10.4298 -0.1611 -0.1495 4.8722 4.8970 5.0750 5.1324
5.3613 5.4059 5.8762 6.0582 6.5649 6.5751 6.6355 6.7387
8.5308 8.7790 9.4830 9.5714 11.5884 11.8383 13.3312 13.4642
13.8611 13.9475 14.0814 14.1278
k = 0.5560 0.1269 0.2956 ( 2865 PWs) bands (ev):
-30.5286 -30.5285 -13.4178 -13.4173 -13.4165 -13.4159 -11.8407 -11.8379
-11.4678 -11.4659 -11.4582 -11.4581 -10.4374 -10.4371 -10.4341 -10.4340
-10.4302 -10.4301 -0.1565 -0.1442 4.8715 4.9014 5.0778 5.1280
5.3702 5.4277 5.8728 6.0711 6.5671 6.5812 6.6354 6.7465
8.4539 8.7067 9.4471 9.5344 11.6550 11.9221 13.3163 13.4308
13.8719 13.9529 14.0860 14.1335
k = 0.5603 0.1145 0.3027 ( 2869 PWs) bands (ev):
-30.5286 -30.5285 -13.4178 -13.4172 -13.4164 -13.4157 -11.8406 -11.8377
-11.4678 -11.4656 -11.4583 -11.4582 -10.4375 -10.4372 -10.4345 -10.4344
-10.4305 -10.4304 -0.1517 -0.1387 4.8708 4.9063 5.0816 5.1239
5.3786 5.4486 5.8702 6.0844 6.5681 6.5874 6.6367 6.7546
8.3782 8.6351 9.4127 9.4984 11.7118 11.9958 13.3103 13.4053
13.8831 13.9593 14.0900 14.1378
k = 0.5647 0.1020 0.3097 ( 2873 PWs) bands (ev):
-30.5286 -30.5285 -13.4177 -13.4171 -13.4163 -13.4155 -11.8406 -11.8375
-11.4677 -11.4654 -11.4585 -11.4583 -10.4375 -10.4372 -10.4350 -10.4348
-10.4308 -10.4306 -0.1468 -0.1331 4.8701 4.9117 5.0863 5.1201
5.3863 5.4682 5.8689 6.0978 6.5676 6.5936 6.6397 6.7630
8.3046 8.5651 9.3793 9.4632 11.7574 12.0575 13.3142 13.3895
13.8947 13.9667 14.0932 14.1405
k = 0.5690 0.0896 0.3167 ( 2871 PWs) bands (ev):
-30.5286 -30.5285 -13.4177 -13.4170 -13.4162 -13.4154 -11.8405 -11.8372
-11.4676 -11.4652 -11.4586 -11.4584 -10.4376 -10.4373 -10.4354 -10.4352
-10.4311 -10.4309 -0.1418 -0.1275 4.8695 4.9175 5.0919 5.1167
5.3933 5.4860 5.8692 6.1115 6.5656 6.5995 6.6444 6.7716
8.2336 8.4978 9.3468 9.4289 11.7914 12.1056 13.3284 13.3846
13.9065 13.9751 14.0954 14.1415
k = 0.5733 0.0771 0.3238 ( 2867 PWs) bands (ev):
-30.5286 -30.5285 -13.4176 -13.4169 -13.4161 -13.4152 -11.8403 -11.8370
-11.4675 -11.4650 -11.4588 -11.4585 -10.4376 -10.4374 -10.4358 -10.4356
-10.4314 -10.4311 -0.1367 -0.1219 4.8689 4.9236 5.0982 5.1136
5.3994 5.5015 5.8715 6.1251 6.5623 6.6053 6.6504 6.7802
8.1660 8.4339 9.3151 9.3955 11.8136 12.1393 13.3525 13.3909
13.9187 13.9843 14.0964 14.1403
k = 0.5776 0.0647 0.3308 ( 2867 PWs) bands (ev):
-30.5286 -30.5285 -13.4176 -13.4168 -13.4160 -13.4151 -11.8402 -11.8368
-11.4675 -11.4647 -11.4589 -11.4586 -10.4377 -10.4376 -10.4362 -10.4360
-10.4317 -10.4314 -0.1316 -0.1163 4.8683 4.9301 5.1054 5.1108
5.4045 5.5141 5.8762 6.1387 6.5581 6.6107 6.6574 6.7885
8.1025 8.3741 9.2840 9.3631 11.8248 12.1587 13.3855 13.4076
13.9309 13.9941 14.0962 14.1366
k = 0.5819 0.0523 0.3379 ( 2864 PWs) bands (ev):
-30.5286 -30.5285 -13.4175 -13.4167 -13.4159 -13.4149 -11.8401 -11.8366
-11.4674 -11.4645 -11.4590 -11.4586 -10.4378 -10.4378 -10.4366 -10.4364
-10.4320 -10.4316 -0.1266 -0.1109 4.8678 4.9369 5.1083 5.1133
5.4086 5.5235 5.8835 6.1522 6.5532 6.6158 6.6650 6.7964
8.0437 8.3190 9.2536 9.3318 11.8262 12.1652 13.4255 13.4327
13.9430 14.0044 14.0948 14.1300
k = 0.5862 0.0398 0.3449 ( 2866 PWs) bands (ev):
-30.5286 -30.5284 -13.4175 -13.4166 -13.4158 -13.4148 -11.8400 -11.8364
-11.4673 -11.4643 -11.4592 -11.4587 -10.4381 -10.4379 -10.4368 -10.4367
-10.4323 -10.4318 -0.1217 -0.1056 4.8672 4.9439 5.1061 5.1218
5.4115 5.5295 5.8938 6.1654 6.5479 6.6204 6.6730 6.8034
7.9903 8.2691 9.2239 9.3017 11.8193 12.1605 13.4632 13.4707
13.9543 14.0148 14.0925 14.1203
k = 0.5905 0.0274 0.3519 ( 2860 PWs) bands (ev):
-30.5285 -30.5284 -13.4174 -13.4165 -13.4157 -13.4146 -11.8398 -11.8362
-11.4672 -11.4640 -11.4593 -11.4587 -10.4384 -10.4381 -10.4370 -10.4370
-10.4325 -10.4320 -0.1170 -0.1006 4.8665 4.9510 5.1042 5.1309
5.4130 5.5319 5.9069 6.1783 6.5424 6.6247 6.6810 6.8092
7.9429 8.2250 9.1951 9.2729 11.8058 12.1470 13.4956 13.5187
13.9642 14.0245 14.0903 14.1079
k = 0.5948 0.0149 0.3590 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4173 -13.4164 -13.4155 -13.4145 -11.8397 -11.8361
-11.4672 -11.4638 -11.4594 -11.4587 -10.4387 -10.4383 -10.4373 -10.4372
-10.4328 -10.4322 -0.1126 -0.0959 4.8657 4.9582 5.1024 5.1406
5.4133 5.5309 5.9226 6.1909 6.5369 6.6285 6.6888 6.8134
7.9022 8.1870 9.1672 9.2455 11.7872 12.1268 13.5264 13.5673
13.9714 14.0314 14.0896 14.0943
k = 0.5991 0.0025 0.3660 ( 2858 PWs) bands (ev):
-30.5285 -30.5284 -13.4173 -13.4163 -13.4154 -13.4144 -11.8395 -11.8359
-11.4671 -11.4636 -11.4596 -11.4587 -10.4391 -10.4385 -10.4375 -10.4374
-10.4330 -10.4324 -0.1084 -0.0916 4.8648 4.9654 5.1008 5.1506
5.4122 5.5269 5.9407 6.2030 6.5317 6.6318 6.6961 6.8157
7.8687 8.1555 9.1403 9.2198 11.7647 12.1019 13.5517 13.6144
13.9753 14.0303 14.0847 14.0921
k = 0.6034-0.0100 0.3731 ( 2864 PWs) bands (ev):
-30.5285 -30.5284 -13.4172 -13.4163 -13.4153 -13.4142 -11.8394 -11.8358
-11.4671 -11.4635 -11.4597 -11.4587 -10.4394 -10.4387 -10.4377 -10.4376
-10.4333 -10.4326 -0.1047 -0.0878 4.8637 4.9724 5.0992 5.1607
5.4097 5.5202 5.9607 6.2147 6.5270 6.6347 6.7028 6.8159
7.8427 8.1307 9.1146 9.1958 11.7398 12.0739 13.5682 13.6578
13.9763 14.0160 14.0847 14.0987
k = 0.6078-0.0224 0.3801 ( 2870 PWs) bands (ev):
-30.5285 -30.5284 -13.4171 -13.4162 -13.4152 -13.4141 -11.8393 -11.8357
-11.4671 -11.4634 -11.4598 -11.4587 -10.4397 -10.4389 -10.4379 -10.4378
-10.4335 -10.4328 -0.1014 -0.0844 4.8624 4.9791 5.0977 5.1709
5.4059 5.5114 5.9822 6.2259 6.5230 6.6371 6.7088 6.8140
7.8246 8.1127 9.0902 9.1737 11.7131 12.0439 13.5731 13.6951
13.9766 13.9926 14.0909 14.1086
k = 0.6121-0.0348 0.3871 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4171 -13.4162 -13.4151 -13.4141 -11.8391 -11.8355
-11.4671 -11.4632 -11.4598 -11.4587 -10.4400 -10.4391 -10.4381 -10.4380
-10.4337 -10.4329 -0.0985 -0.0817 4.8609 4.9854 5.0962 5.1807
5.4012 5.5010 6.0048 6.2367 6.5200 6.6391 6.7139 6.8100
7.8142 8.1016 9.0673 9.1537 11.6857 12.0131 13.5648 13.7228
13.9673 13.9785 14.0985 14.1202
k = 0.6164-0.0473 0.3942 ( 2864 PWs) bands (ev):
-30.5285 -30.5284 -13.4170 -13.4161 -13.4150 -13.4140 -11.8389 -11.8354
-11.4671 -11.4632 -11.4598 -11.4586 -10.4402 -10.4393 -10.4383 -10.4382
-10.4339 -10.4331 -0.0963 -0.0796 4.8590 4.9910 5.0945 5.1898
5.3958 5.4894 6.0282 6.2469 6.5182 6.6405 6.7181 6.8043
7.8115 8.0973 9.0458 9.1358 11.6581 11.9822 13.5434 13.7361
13.9466 13.9833 14.1053 14.1317
k = 0.6207-0.0597 0.4012 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4160 -13.4150 -13.4139 -11.8388 -11.8353
-11.4671 -11.4631 -11.4597 -11.4585 -10.4404 -10.4395 -10.4385 -10.4384
-10.4340 -10.4332 -0.0947 -0.0781 4.8569 4.9959 5.0925 5.1975
5.3902 5.4773 6.0521 6.2566 6.5177 6.6413 6.7216 6.7973
7.8161 8.0995 9.0261 9.1202 11.6307 11.9516 13.5106 13.7297
13.9364 13.9908 14.1097 14.1411
k = 0.6250-0.0722 0.4082 ( 2870 PWs) bands (ev):
-30.5285 -30.5284 -13.4168 -13.4160 -13.4149 -13.4139 -11.8387 -11.8352
-11.4671 -11.4632 -11.4597 -11.4584 -10.4405 -10.4396 -10.4387 -10.4386
-10.4342 -10.4334 -0.0938 -0.0775 4.8544 4.9996 5.0901 5.2033
5.3853 5.4651 6.0762 6.2657 6.5187 6.6414 6.7244 6.7898
7.8274 8.1080 9.0083 9.1071 11.6040 11.9217 13.4686 13.7033
13.9381 14.0002 14.1106 14.1467
k = 0.6250-0.0722 0.4082 ( 2870 PWs) bands (ev):
-30.5285 -30.5284 -13.4168 -13.4160 -13.4149 -13.4139 -11.8387 -11.8352
-11.4671 -11.4632 -11.4597 -11.4584 -10.4405 -10.4396 -10.4387 -10.4386
-10.4342 -10.4334 -0.0938 -0.0775 4.8544 4.9996 5.0901 5.2033
5.3853 5.4651 6.0762 6.2657 6.5187 6.6414 6.7244 6.7898
7.8274 8.1080 9.0083 9.1071 11.6040 11.9217 13.4686 13.7033
13.9381 14.0002 14.1106 14.1467
k = 0.6176-0.0679 0.4203 ( 2866 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4160 -13.4149 -13.4139 -11.8386 -11.8352
-11.4671 -11.4631 -11.4597 -11.4584 -10.4406 -10.4397 -10.4386 -10.4385
-10.4342 -10.4334 -0.0937 -0.0774 4.8547 4.9998 5.0900 5.2035
5.3837 5.4673 6.0728 6.2688 6.5189 6.6411 6.7248 6.7902
7.8267 8.1082 9.0018 9.1051 11.6100 11.9292 13.4679 13.7000
13.9321 13.9977 14.1062 14.1491
k = 0.6103-0.0637 0.4323 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4160 -13.4149 -13.4139 -11.8386 -11.8352
-11.4671 -11.4631 -11.4597 -11.4584 -10.4407 -10.4399 -10.4385 -10.4383
-10.4342 -10.4334 -0.0935 -0.0770 4.8556 5.0002 5.0899 5.2041
5.3797 5.4734 6.0632 6.2773 6.5196 6.6401 6.7261 6.7914
7.8245 8.1087 8.9833 9.0986 11.6280 11.9514 13.4657 13.6904
13.9149 13.9906 14.0937 14.1539
k = 0.6029-0.0594 0.4443 ( 2858 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4160 -13.4149 -13.4138 -11.8386 -11.8352
-11.4670 -11.4631 -11.4597 -11.4585 -10.4409 -10.4401 -10.4384 -10.4381
-10.4341 -10.4334 -0.0930 -0.0765 4.8570 5.0010 5.0896 5.2050
5.3739 5.4825 6.0490 6.2897 6.5209 6.6386 6.7281 6.7933
7.8210 8.1094 8.9548 9.0870 11.6573 11.9874 13.4618 13.6754
13.8891 13.9782 14.0747 14.1571
k = 0.5956-0.0552 0.4563 ( 2856 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4160 -13.4149 -13.4138 -11.8386 -11.8352
-11.4670 -11.4630 -11.4598 -11.4585 -10.4411 -10.4403 -10.4383 -10.4378
-10.4341 -10.4334 -0.0924 -0.0757 4.8588 5.0019 5.0894 5.2064
5.3674 5.4937 6.0315 6.3042 6.5228 6.6365 6.7309 6.7958
7.8161 8.1103 8.9185 9.0702 11.6970 12.0360 13.4562 13.6561
13.8575 13.9589 14.0520 14.1565
k = 0.5882-0.0509 0.4683 ( 2858 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4161 -13.4148 -13.4138 -11.8387 -11.8352
-11.4669 -11.4629 -11.4599 -11.4586 -10.4413 -10.4405 -10.4381 -10.4375
-10.4340 -10.4334 -0.0916 -0.0747 4.8612 5.0031 5.0891 5.2082
5.3607 5.5064 6.0121 6.3194 6.5254 6.6340 6.7345 6.7989
7.8098 8.1110 8.8767 9.0485 11.7459 12.0958 13.4482 13.6335
13.8227 13.9309 14.0291 14.1524
k = 0.5809-0.0467 0.4803 ( 2859 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4161 -13.4148 -13.4137 -11.8387 -11.8352
-11.4669 -11.4629 -11.4600 -11.4587 -10.4416 -10.4408 -10.4380 -10.4373
-10.4340 -10.4334 -0.0907 -0.0736 4.8639 5.0043 5.0889 5.2103
5.3541 5.5202 5.9913 6.3343 6.5290 6.6311 6.7388 6.8024
7.8024 8.1114 8.8315 9.0230 11.8027 12.1651 13.4369 13.6089
13.7868 13.8938 14.0085 14.1458
k = 0.5735-0.0425 0.4923 ( 2855 PWs) bands (ev):
-30.5285 -30.5283 -13.4169 -13.4162 -13.4148 -13.4137 -11.8387 -11.8352
-11.4668 -11.4627 -11.4601 -11.4588 -10.4418 -10.4410 -10.4378 -10.4370
-10.4339 -10.4334 -0.0896 -0.0724 4.8669 5.0056 5.0889 5.2129
5.3477 5.5350 5.9698 6.3481 6.5335 6.6280 6.7437 6.8062
7.7939 8.1112 8.7847 8.9948 11.8658 12.2421 13.4208 13.5836
13.7518 13.8499 13.9900 14.1376
k = 0.5662-0.0382 0.5043 ( 2853 PWs) bands (ev):
-30.5285 -30.5283 -13.4170 -13.4162 -13.4148 -13.4136 -11.8387 -11.8352
-11.4668 -11.4626 -11.4602 -11.4589 -10.4420 -10.4411 -10.4377 -10.4367
-10.4339 -10.4334 -0.0885 -0.0710 4.8700 5.0069 5.0890 5.2159
5.3417 5.5505 5.9477 6.3603 6.5391 6.6246 6.7492 6.8101
7.7845 8.1099 8.7382 8.9654 11.9336 12.3251 13.3978 13.5591
13.7184 13.8031 13.9725 14.1287
k = 0.5588-0.0340 0.5163 ( 2855 PWs) bands (ev):
-30.5285 -30.5283 -13.4170 -13.4162 -13.4148 -13.4136 -11.8388 -11.8352
-11.4667 -11.4625 -11.4603 -11.4590 -10.4422 -10.4413 -10.4376 -10.4365
-10.4338 -10.4334 -0.0873 -0.0696 4.8733 5.0080 5.0894 5.2194
5.3360 5.5666 5.9254 6.3705 6.5456 6.6212 6.7553 6.8138
7.7745 8.1072 8.6939 8.9360 12.0043 12.4126 13.3664 13.5360
13.6863 13.7582 13.9552 14.1194
k = 0.5515-0.0297 0.5283 ( 2853 PWs) bands (ev):
-30.5285 -30.5283 -13.4170 -13.4163 -13.4147 -13.4135 -11.8388 -11.8352
-11.4666 -11.4624 -11.4604 -11.4592 -10.4424 -10.4415 -10.4375 -10.4363
-10.4338 -10.4333 -0.0861 -0.0681 4.8766 5.0089 5.0900 5.2233
5.3306 5.5835 5.9030 6.3786 6.5527 6.6177 6.7619 6.8172
7.7641 8.1028 8.6532 8.9076 12.0760 12.5030 13.3272 13.5118
13.6545 13.7212 13.9379 14.1100
k = 0.5441-0.0255 0.5403 ( 2855 PWs) bands (ev):
-30.5285 -30.5283 -13.4170 -13.4163 -13.4147 -13.4135 -11.8389 -11.8352
-11.4666 -11.4622 -11.4605 -11.4593 -10.4426 -10.4416 -10.4374 -10.4361
-10.4338 -10.4333 -0.0849 -0.0667 4.8797 5.0095 5.0909 5.2277
5.3253 5.6008 5.8806 6.3848 6.5601 6.6143 6.7688 6.8199
7.7539 8.0965 8.6176 8.8813 12.1470 12.5949 13.2824 13.4805
13.6262 13.6949 13.9205 14.1008
k = 0.5368-0.0212 0.5523 ( 2857 PWs) bands (ev):
-30.5285 -30.5283 -13.4170 -13.4163 -13.4147 -13.4134 -11.8389 -11.8352
-11.4665 -11.4621 -11.4607 -11.4595 -10.4427 -10.4417 -10.4373 -10.4360
-10.4337 -10.4332 -0.0837 -0.0653 4.8826 5.0100 5.0921 5.2325
5.3201 5.6187 5.8583 6.3893 6.5674 6.6110 6.7759 6.8218
7.7441 8.0885 8.5879 8.8580 12.2151 12.6868 13.2350 13.4366
13.6079 13.6778 13.9029 14.0918
k = 0.5294-0.0170 0.5643 ( 2849 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4147 -13.4134 -11.8389 -11.8351
-11.4664 -11.4619 -11.4607 -11.4596 -10.4429 -10.4418 -10.4372 -10.4358
-10.4337 -10.4332 -0.0827 -0.0641 4.8852 5.0102 5.0934 5.2377
5.3150 5.6368 5.8363 6.3923 6.5742 6.6078 6.7832 6.8225
7.7353 8.0793 8.5645 8.8382 12.2778 12.7775 13.1884 13.3811
13.6004 13.6672 13.8855 14.0835
k = 0.5221-0.0127 0.5764 ( 2850 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4147 -13.4134 -11.8389 -11.8351
-11.4664 -11.4618 -11.4609 -11.4597 -10.4430 -10.4419 -10.4372 -10.4357
-10.4337 -10.4332 -0.0818 -0.0630 4.8874 5.0102 5.0947 5.2431
5.3099 5.6550 5.8151 6.3943 6.5800 6.6050 6.7904 6.8220
7.7278 8.0698 8.5476 8.8225 12.3322 12.8659 13.1459 13.3180
13.6001 13.6613 13.8691 14.0761
k = 0.5147-0.0085 0.5884 ( 2850 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4147 -13.4134 -11.8389 -11.8351
-11.4664 -11.4616 -11.4610 -11.4598 -10.4430 -10.4419 -10.4371 -10.4356
-10.4337 -10.4331 -0.0810 -0.0622 4.8890 5.0102 5.0958 5.2483
5.3051 5.6722 5.7955 6.3954 6.5846 6.6026 6.7973 6.8199
7.7221 8.0614 8.5364 8.8111 12.3747 12.9507 13.1113 13.2508
13.6033 13.6589 13.8547 14.0701
k = 0.5074-0.0042 0.6004 ( 2852 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4146 -13.4133 -11.8389 -11.8352
-11.4664 -11.4615 -11.4611 -11.4599 -10.4431 -10.4420 -10.4371 -10.4356
-10.4337 -10.4331 -0.0806 -0.0616 4.8900 5.0101 5.0966 5.2525
5.3012 5.6864 5.7800 6.3960 6.5874 6.6010 6.8039 6.8162
7.7185 8.0554 8.5304 8.8042 12.4020 13.0307 13.0884 13.1815
13.6070 13.6589 13.8442 14.0660
k = 0.5000-0.0000 0.6124 ( 2872 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4146 -13.4133 -11.8390 -11.8352
-11.4664 -11.4615 -11.4612 -11.4600 -10.4431 -10.4420 -10.4371 -10.4356
-10.4337 -10.4331 -0.0804 -0.0614 4.8904 5.0100 5.0969 5.2543
5.2996 5.6924 5.7734 6.3961 6.5883 6.6006 6.8087 6.8124
7.7172 8.0532 8.5285 8.8019 12.4112 13.0789 13.0941 13.1230
13.6087 13.6593 13.8401 14.0645
k = 0.5000-0.0000 0.6124 ( 2872 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4146 -13.4133 -11.8390 -11.8352
-11.4664 -11.4615 -11.4612 -11.4600 -10.4431 -10.4420 -10.4371 -10.4356
-10.4337 -10.4331 -0.0804 -0.0614 4.8904 5.0100 5.0969 5.2543
5.2996 5.6924 5.7734 6.3961 6.5883 6.6006 6.8087 6.8124
7.7172 8.0532 8.5285 8.8019 12.4112 13.0789 13.0941 13.1230
13.6087 13.6593 13.8401 14.0645
k = 0.5000 0.0087 0.6000 ( 2856 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4147 -13.4134 -11.8390 -11.8352
-11.4664 -11.4616 -11.4611 -11.4599 -10.4431 -10.4420 -10.4371 -10.4356
-10.4337 -10.4331 -0.0807 -0.0617 4.8904 5.0092 5.0970 5.2503
5.3036 5.6927 5.7728 6.3956 6.5876 6.6001 6.8013 6.8195
7.7170 8.0555 8.5311 8.8060 12.4097 13.0714 13.0947 13.1259
13.6133 13.6613 13.8414 14.0645
k = 0.5000 0.0175 0.5876 ( 2852 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4147 -13.4134 -11.8390 -11.8352
-11.4664 -11.4617 -11.4609 -11.4599 -10.4430 -10.4419 -10.4371 -10.4356
-10.4337 -10.4331 -0.0815 -0.0625 4.8905 5.0068 5.0972 5.2408
5.3128 5.6935 5.7710 6.3939 6.5853 6.5992 6.7923 6.8276
7.7167 8.0623 8.5391 8.8181 12.4052 13.0558 13.0909 13.1335
13.6263 13.6673 13.8455 14.0644
k = 0.5000 0.0262 0.5753 ( 2852 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4147 -13.4134 -11.8390 -11.8352
-11.4664 -11.4619 -11.4607 -11.4598 -10.4428 -10.4418 -10.4371 -10.4356
-10.4336 -10.4330 -0.0828 -0.0639 4.8906 5.0029 5.0975 5.2293
5.3240 5.6945 5.7682 6.3909 6.5811 6.5983 6.7832 6.8348
7.7173 8.0728 8.5527 8.8375 12.3977 13.0360 13.0828 13.1426
13.6458 13.6778 13.8524 14.0642
k = 0.5000 0.0350 0.5629 ( 2852 PWs) bands (ev):
-30.5285 -30.5283 -13.4171 -13.4164 -13.4148 -13.4135 -11.8391 -11.8353
-11.4664 -11.4621 -11.4606 -11.4598 -10.4426 -10.4416 -10.4371 -10.4356
-10.4336 -10.4329 -0.0846 -0.0658 4.8908 4.9977 5.0979 5.2172
5.3354 5.6953 5.7647 6.3862 6.5754 6.5979 6.7743 6.8408
7.7199 8.0863 8.5724 8.8633 12.3872 13.0123 13.0733 13.1513
13.6676 13.6952 13.8625 14.0638
k = 0.5000 0.0437 0.5505 ( 2856 PWs) bands (ev):
-30.5285 -30.5283 -13.4172 -13.4164 -13.4148 -13.4135 -11.8391 -11.8353
-11.4665 -11.4623 -11.4604 -11.4598 -10.4424 -10.4414 -10.4371 -10.4356
-10.4335 -10.4329 -0.0870 -0.0683 4.8911 4.9914 5.0983 5.2050
5.3466 5.6954 5.7613 6.3796 6.5689 6.5977 6.7653 6.8452
7.7257 8.1023 8.5982 8.8947 12.3738 12.9844 13.0643 13.1589
13.6863 13.7224 13.8761 14.0631
k = 0.5000 0.0525 0.5381 ( 2858 PWs) bands (ev):
-30.5285 -30.5283 -13.4172 -13.4165 -13.4149 -13.4136 -11.8392 -11.8354
-11.4665 -11.4625 -11.4603 -11.4597 -10.4421 -10.4411 -10.4371 -10.4356
-10.4334 -10.4327 -0.0898 -0.0712 4.8913 4.9842 5.0988 5.1931
5.3571 5.6936 5.7588 6.3705 6.5626 6.5976 6.7564 6.8477
7.7359 8.1204 8.6301 8.9305 12.3575 12.9523 13.0569 13.1654
13.7022 13.7572 13.8936 14.0621
k = 0.5000 0.0612 0.5258 ( 2852 PWs) bands (ev):
-30.5285 -30.5284 -13.4172 -13.4165 -13.4150 -13.4137 -11.8393 -11.8355
-11.4666 -11.4627 -11.4601 -11.4596 -10.4417 -10.4408 -10.4371 -10.4356
-10.4333 -10.4326 -0.0930 -0.0746 4.8916 4.9762 5.0992 5.1816
5.3665 5.6890 5.7583 6.3587 6.5572 6.5975 6.7473 6.8482
7.7512 8.1408 8.6676 8.9700 12.3384 12.9159 13.0516 13.1711
13.7167 13.7958 13.9149 14.0606
k = 0.5000 0.0700 0.5134 ( 2860 PWs) bands (ev):
-30.5285 -30.5284 -13.4173 -13.4165 -13.4151 -13.4138 -11.8394 -11.8356
-11.4667 -11.4630 -11.4599 -11.4596 -10.4413 -10.4405 -10.4371 -10.4356
-10.4332 -10.4325 -0.0966 -0.0784 4.8918 4.9678 5.0996 5.1706
5.3749 5.6810 5.7602 6.3441 6.5533 6.5974 6.7381 6.8467
7.7723 8.1636 8.7100 9.0122 12.3162 12.8752 13.0488 13.1763
13.7301 13.8362 13.9397 14.0586
k = 0.5000 0.0787 0.5010 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4173 -13.4165 -13.4152 -13.4140 -11.8395 -11.8358
-11.4668 -11.4632 -11.4598 -11.4595 -10.4409 -10.4402 -10.4370 -10.4356
-10.4330 -10.4323 -0.1006 -0.0827 4.8919 4.9592 5.1000 5.1603
5.3819 5.6698 5.7645 6.3268 6.5510 6.5972 6.7288 6.8433
7.7995 8.1894 8.7565 9.0565 12.2909 12.8299 13.0487 13.1819
13.7423 13.8769 13.9673 14.0562
k = 0.5000 0.0875 0.4887 ( 2860 PWs) bands (ev):
-30.5285 -30.5284 -13.4174 -13.4166 -13.4153 -13.4141 -11.8396 -11.8359
-11.4668 -11.4634 -11.4596 -11.4594 -10.4405 -10.4398 -10.4370 -10.4356
-10.4329 -10.4322 -0.1050 -0.0873 4.8920 4.9505 5.1003 5.1506
5.3875 5.6557 5.7705 6.3072 6.5504 6.5969 6.7192 6.8381
7.8327 8.2186 8.8062 9.1021 12.2622 12.7799 13.0513 13.1884
13.7532 13.9166 13.9962 14.0539
k = 0.5000 0.0962 0.4763 ( 2870 PWs) bands (ev):
-30.5285 -30.5284 -13.4174 -13.4166 -13.4155 -13.4143 -11.8398 -11.8361
-11.4670 -11.4637 -11.4595 -11.4593 -10.4400 -10.4394 -10.4370 -10.4356
-10.4327 -10.4320 -0.1096 -0.0922 4.8920 4.9420 5.1006 5.1417
5.3917 5.6394 5.7779 6.2858 6.5511 6.5964 6.7095 6.8314
7.8720 8.2516 8.8585 9.1485 12.2297 12.7247 13.0567 13.1967
13.7627 13.9538 14.0229 14.0540
k = 0.5000 0.1050 0.4639 ( 2868 PWs) bands (ev):
-30.5286 -30.5284 -13.4174 -13.4167 -13.4156 -13.4144 -11.8399 -11.8362
-11.4671 -11.4639 -11.4593 -11.4592 -10.4395 -10.4390 -10.4369 -10.4355
-10.4325 -10.4318 -0.1144 -0.0974 4.8919 4.9337 5.1005 5.1338
5.3945 5.6213 5.7861 6.2631 6.5528 6.5958 6.6996 6.8235
7.9170 8.2886 8.9125 9.1953 12.1932 12.6644 13.0651 13.2074
13.7708 13.9863 14.0368 14.0667
k = 0.5000 0.1137 0.4515 ( 2868 PWs) bands (ev):
-30.5286 -30.5284 -13.4175 -13.4167 -13.4157 -13.4146 -11.8400 -11.8364
-11.4672 -11.4642 -11.4592 -11.4591 -10.4390 -10.4387 -10.4368 -10.4354
-10.4323 -10.4316 -0.1194 -0.1028 4.8916 4.9258 5.1000 5.1272
5.3957 5.6015 5.7949 6.2398 6.5552 6.5951 6.6896 6.8147
7.9675 8.3297 8.9676 9.2419 12.1522 12.5987 13.0764 13.2210
13.7775 14.0099 14.0417 14.0899
k = 0.5000 0.1225 0.4392 ( 2860 PWs) bands (ev):
-30.5286 -30.5284 -13.4175 -13.4168 -13.4158 -13.4147 -11.8401 -11.8366
-11.4672 -11.4644 -11.4590 -11.4589 -10.4386 -10.4383 -10.4367 -10.4353
-10.4321 -10.4314 -0.1246 -0.1084 4.8912 4.9185 5.0985 5.1225
5.3955 5.5806 5.8041 6.2161 6.5579 6.5943 6.6797 6.8052
8.0232 8.3752 9.0233 9.2880 12.1062 12.5275 13.0908 13.2383
13.7827 14.0183 14.0532 14.1120
k = 0.5000 0.1312 0.4268 ( 2854 PWs) bands (ev):
-30.5286 -30.5285 -13.4176 -13.4168 -13.4160 -13.4149 -11.8402 -11.8367
-11.4673 -11.4646 -11.4588 -11.4588 -10.4382 -10.4380 -10.4365 -10.4352
-10.4318 -10.4312 -0.1298 -0.1141 4.8906 4.9118 5.0957 5.1200
5.3940 5.5585 5.8134 6.1927 6.5604 6.5935 6.6700 6.7954
8.0834 8.4248 9.0792 9.3334 12.0549 12.4509 13.1083 13.2594
13.7864 14.0180 14.0663 14.1300
k = 0.5000 0.1400 0.4144 ( 2848 PWs) bands (ev):
-30.5286 -30.5285 -13.4176 -13.4169 -13.4161 -13.4151 -11.8403 -11.8369
-11.4674 -11.4648 -11.4587 -11.4586 -10.4379 -10.4377 -10.4362 -10.4350
-10.4316 -10.4309 -0.1351 -0.1199 4.8898 4.9057 5.0918 5.1195
5.3911 5.5356 5.8227 6.1698 6.5623 6.5928 6.6608 6.7856
8.1479 8.4785 9.1349 9.3777 11.9982 12.3692 13.1290 13.2847
13.7887 14.0162 14.0742 14.1430
k = 0.5000 0.1487 0.4021 ( 2848 PWs) bands (ev):
-30.5286 -30.5285 -13.4177 -13.4170 -13.4162 -13.4153 -11.8404 -11.8371
-11.4675 -11.4651 -11.4585 -11.4585 -10.4377 -10.4375 -10.4358 -10.4347
-10.4313 -10.4307 -0.1404 -0.1258 4.8889 4.9004 5.0875 5.1206
5.3870 5.5121 5.8319 6.1477 6.5635 6.5921 6.6524 6.7758
8.2162 8.5358 9.1902 9.4208 11.9357 12.2824 13.1528 13.3141
13.7897 14.0148 14.0758 14.1511
k = 0.5000 0.1575 0.3897 ( 2858 PWs) bands (ev):
-30.5286 -30.5285 -13.4177 -13.4171 -13.4163 -13.4155 -11.8405 -11.8374
-11.4676 -11.4653 -11.4584 -11.4584 -10.4376 -10.4374 -10.4354 -10.4344
-10.4310 -10.4305 -0.1456 -0.1316 4.8878 4.8958 5.0833 5.1226
5.3817 5.4880 5.8408 6.1266 6.5637 6.5910 6.6452 6.7663
8.2877 8.5965 9.2448 9.4627 11.8677 12.1909 13.1799 13.3475
13.7896 14.0141 14.0719 14.1548
k = 0.5000 0.1662 0.3773 ( 2860 PWs) bands (ev):
-30.5286 -30.5285 -13.4177 -13.4172 -13.4164 -13.4156 -11.8406 -11.8376
-11.4677 -11.4656 -11.4583 -11.4583 -10.4375 -10.4373 -10.4349 -10.4341
-10.4307 -10.4302 -0.1506 -0.1374 4.8865 4.8920 5.0795 5.1254
5.3754 5.4637 5.8494 6.1067 6.5629 6.5890 6.6399 6.7572
8.3619 8.6601 9.2989 9.5034 11.7943 12.0952 13.2100 13.3848
13.7887 14.0144 14.0636 14.1547
k = 0.5000 0.1750 0.3649 ( 2864 PWs) bands (ev):
-30.5286 -30.5285 -13.4178 -13.4173 -13.4165 -13.4158 -11.8407 -11.8378
-11.4678 -11.4658 -11.4582 -11.4582 -10.4375 -10.4372 -10.4345 -10.4338
-10.4304 -10.4300 -0.1556 -0.1430 4.8850 4.8890 5.0763 5.1288
5.3682 5.4392 5.8577 6.0880 6.5613 6.5855 6.6368 6.7486
8.4383 8.7257 9.3524 9.5430 11.7157 11.9955 13.2431 13.4253
13.7874 14.0153 14.0524 14.1515
k = 0.5000 0.1837 0.3526 ( 2864 PWs) bands (ev):
-30.5286 -30.5286 -13.4178 -13.4174 -13.4166 -13.4160 -11.8408 -11.8381
-11.4679 -11.4660 -11.4581 -11.4580 -10.4374 -10.4372 -10.4340 -10.4335
-10.4301 -10.4297 -0.1603 -0.1485 4.8834 4.8866 5.0740 5.1327
5.3601 5.4149 5.8655 6.0707 6.5591 6.5807 6.6359 6.7405
8.5161 8.7925 9.4056 9.5818 11.6327 11.8925 13.2788 13.4687
13.7857 14.0161 14.0400 14.1460
k = 0.5000 0.1925 0.3402 ( 2862 PWs) bands (ev):
-30.5286 -30.5286 -13.4179 -13.4175 -13.4167 -13.4161 -11.8408 -11.8383
-11.4679 -11.4663 -11.4579 -11.4579 -10.4374 -10.4371 -10.4336 -10.4332
-10.4298 -10.4295 -0.1647 -0.1538 4.8818 4.8848 5.0725 5.1371
5.3514 5.3907 5.8730 6.0546 6.5565 6.5748 6.6368 6.7328
8.5946 8.8594 9.4590 9.6201 11.5457 11.7867 13.3168 13.5143
13.7840 14.0136 14.0302 14.1385
k = 0.5000 0.2012 0.3278 ( 2864 PWs) bands (ev):
-30.5287 -30.5286 -13.4179 -13.4176 -13.4167 -13.4163 -11.8409 -11.8385
-11.4680 -11.4665 -11.4578 -11.4578 -10.4374 -10.4371 -10.4332 -10.4329
-10.4294 -10.4292 -0.1689 -0.1588 4.8804 4.8832 5.0721 5.1418
5.3420 5.3670 5.8801 6.0399 6.5537 6.5685 6.6388 6.7257
8.6729 8.9252 9.5131 9.6584 11.4555 11.6787 13.3564 13.5613
13.7823 14.0036 14.0278 14.1296
k = 0.5000 0.2099 0.3155 ( 2862 PWs) bands (ev):
-30.5287 -30.5286 -13.4179 -13.4177 -13.4168 -13.4164 -11.8409 -11.8387
-11.4680 -11.4667 -11.4577 -11.4577 -10.4374 -10.4371 -10.4329 -10.4326
-10.4291 -10.4289 -0.1727 -0.1635 4.8793 4.8818 5.0728 5.1469
5.3319 5.3442 5.8868 6.0264 6.5507 6.5622 6.6416 6.7191
8.7502 8.9882 9.5687 9.6973 11.3632 11.5693 13.3970 13.6090
13.7804 13.9908 14.0287 14.1194
k = 0.5000 0.2187 0.3031 ( 2868 PWs) bands (ev):
-30.5287 -30.5286 -13.4180 -13.4178 -13.4169 -13.4166 -11.8409 -11.8390
-11.4681 -11.4669 -11.4577 -11.4577 -10.4373 -10.4371 -10.4326 -10.4324
-10.4288 -10.4287 -0.1762 -0.1679 4.8785 4.8806 5.0747 5.1521
5.3190 5.3248 5.8932 6.0139 6.5477 6.5562 6.6447 6.7129
8.8253 9.0467 9.6265 9.7373 11.2696 11.4591 13.4379 13.6566
13.7782 13.9785 14.0301 14.1081
k = 0.5000 0.2274 0.2907 ( 2866 PWs) bands (ev):
-30.5287 -30.5286 -13.4180 -13.4179 -13.4169 -13.4167 -11.8409 -11.8392
-11.4681 -11.4670 -11.4576 -11.4576 -10.4373 -10.4371 -10.4323 -10.4322
-10.4285 -10.4284 -0.1793 -0.1720 4.8779 4.8795 5.0780 5.1572
5.2995 5.3130 5.8994 6.0026 6.5448 6.5507 6.6481 6.7071
8.8970 9.0990 9.6872 9.7791 11.1761 11.3491 13.4784 13.7029
13.7754 13.9681 14.0309 14.0960
k = 0.5000 0.2362 0.2784 ( 2862 PWs) bands (ev):
-30.5287 -30.5286 -13.4180 -13.4179 -13.4169 -13.4168 -11.8409 -11.8394
-11.4681 -11.4672 -11.4575 -11.4575 -10.4373 -10.4371 -10.4321 -10.4320
-10.4283 -10.4282 -0.1819 -0.1756 4.8774 4.8786 5.0826 5.1619
5.2803 5.3024 5.9054 5.9921 6.5420 6.5458 6.6517 6.7017
8.9642 9.1436 9.7507 9.8230 11.0844 11.2405 13.5176 13.7462
13.7726 13.9604 14.0308 14.0829
k = 0.5000 0.2449 0.2660 ( 2864 PWs) bands (ev):
-30.5287 -30.5286 -13.4180 -13.4180 -13.4170 -13.4169 -11.8408 -11.8396
-11.4681 -11.4673 -11.4574 -11.4574 -10.4373 -10.4371 -10.4319 -10.4318
-10.4280 -10.4280 -0.1841 -0.1788 4.8770 4.8778 5.0886 5.1654
5.2634 5.2921 5.9114 5.9824 6.5395 6.5418 6.6554 6.6966
9.0257 9.1794 9.8163 9.8689 10.9965 11.1348 13.5547 13.7619
13.7931 13.9559 14.0296 14.0690
k = 0.5000 0.2537 0.2536 ( 2870 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4180 -13.4170 -13.4169 -11.8408 -11.8398
-11.4681 -11.4675 -11.4574 -11.4574 -10.4373 -10.4372 -10.4318 -10.4317
-10.4279 -10.4278 -0.1858 -0.1816 4.8767 4.8771 5.0961 5.1667
5.2501 5.2819 5.9174 5.9734 6.5373 6.5384 6.6591 6.6918
9.0802 9.2057 9.8821 9.9159 10.9153 11.0341 13.5892 13.7546
13.8310 13.9544 14.0271 14.0544
k = 0.5000 0.2624 0.2412 ( 2870 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4170 -11.8407 -11.8399
-11.4681 -11.4676 -11.4574 -11.4574 -10.4373 -10.4372 -10.4317 -10.4316
-10.4277 -10.4277 -0.1871 -0.1838 4.8765 4.8767 5.1048 5.1643
5.2419 5.2721 5.9234 5.9651 6.5354 6.5359 6.6628 6.6872
9.1270 9.2224 9.9441 9.9620 10.8451 10.9415 13.6207 13.7440
13.8661 13.9554 14.0234 14.0395
k = 0.5000 0.2712 0.2289 ( 2866 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4170 -11.8406 -11.8401
-11.4681 -11.4677 -11.4573 -11.4573 -10.4372 -10.4372 -10.4316 -10.4316
-10.4276 -10.4276 -0.1878 -0.1856 4.8763 4.8763 5.1147 5.1578
5.2394 5.2628 5.9297 5.9572 6.5340 6.5342 6.6667 6.6828
9.1654 9.2295 9.9967 10.0032 10.7919 10.8614 13.6489 13.7306
13.8972 13.9566 14.0187 14.0256
k = 0.5000 0.2799 0.2165 ( 2884 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4171 -11.8406 -11.8403
-11.4681 -11.4679 -11.4574 -11.4574 -10.4372 -10.4372 -10.4316 -10.4315
-10.4275 -10.4275 -0.1880 -0.1869 4.8762 4.8762 5.1256 5.1481
5.2416 5.2543 5.9361 5.9498 6.5331 6.5331 6.6705 6.6786
9.1950 9.2272 10.0324 10.0333 10.7634 10.8003 13.6737 13.7144
13.9233 13.9540 14.0140 14.0152
k = 0.5000 0.2887 0.2041 ( 2884 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4171 -11.8404 -11.8404
-11.4680 -11.4680 -11.4573 -11.4573 -10.4372 -10.4372 -10.4315 -10.4315
-10.4275 -10.4275 -0.1877 -0.1877 4.8761 4.8761 5.1370 5.1370
5.2470 5.2470 5.9428 5.9428 6.5328 6.5328 6.6745 6.6745
9.2157 9.2157 10.0448 10.0448 10.7659 10.7659 13.6956 13.6956
13.9430 13.9430 14.0117 14.0117
k = 0.5000 0.2887 0.2041 ( 2884 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4171 -11.8404 -11.8404
-11.4680 -11.4680 -11.4573 -11.4573 -10.4372 -10.4372 -10.4315 -10.4315
-10.4275 -10.4275 -0.1877 -0.1877 4.8761 4.8761 5.1370 5.1370
5.2470 5.2470 5.9428 5.9428 6.5328 6.5328 6.6745 6.6745
9.2157 9.2157 10.0448 10.0448 10.7659 10.7659 13.6956 13.6956
13.9430 13.9430 14.0117 14.0117
k = 0.4957 0.2862 0.2182 ( 2881 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4171 -11.8406 -11.8403
-11.4681 -11.4679 -11.4573 -11.4573 -10.4372 -10.4372 -10.4315 -10.4315
-10.4275 -10.4275 -0.1880 -0.1870 4.8762 4.8762 5.1257 5.1480
5.2417 5.2542 5.9362 5.9497 6.5331 6.5331 6.6706 6.6785
9.1954 9.2271 10.0328 10.0336 10.7632 10.7996 13.6741 13.7142
13.9236 13.9539 14.0141 14.0150
k = 0.4914 0.2837 0.2323 ( 2865 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4170 -11.8406 -11.8401
-11.4681 -11.4677 -11.4573 -11.4573 -10.4372 -10.4372 -10.4316 -10.4316
-10.4276 -10.4276 -0.1878 -0.1857 4.8762 4.8764 5.1150 5.1575
5.2394 5.2626 5.9298 5.9570 6.5340 6.5341 6.6668 6.6827
9.1664 9.2295 9.9983 10.0040 10.7907 10.8593 13.6497 13.7301
13.8982 13.9563 14.0195 14.0245
k = 0.4871 0.2812 0.2464 ( 2865 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4181 -13.4171 -13.4170 -11.8407 -11.8399
-11.4681 -11.4676 -11.4573 -11.4573 -10.4373 -10.4372 -10.4317 -10.4316
-10.4277 -10.4277 -0.1871 -0.1839 4.8763 4.8768 5.1052 5.1641
5.2417 5.2717 5.9237 5.9647 6.5355 6.5357 6.6630 6.6870
9.1289 9.2228 9.9475 9.9631 10.8424 10.9376 13.6221 13.7430
13.8688 13.9538 14.0260 14.0370
k = 0.4828 0.2787 0.2604 ( 2864 PWs) bands (ev):
-30.5287 -30.5287 -13.4181 -13.4180 -13.4170 -13.4169 -11.8408 -11.8398
-11.4681 -11.4675 -11.4574 -11.4574 -10.4373 -10.4372 -10.4318 -10.4317
-10.4278 -10.4278 -0.1859 -0.1817 4.8763 4.8775 5.0965 5.1666
5.2495 5.2813 5.9178 5.9729 6.5375 6.5379 6.6593 6.6915
9.0832 9.2067 9.8878 9.9169 10.9109 11.0283 13.5915 13.7512
13.8383 13.9496 14.0328 14.0501
k = 0.4784 0.2762 0.2745 ( 2864 PWs) bands (ev):
-30.5287 -30.5286 -13.4180 -13.4180 -13.4170 -13.4169 -11.8408 -11.8396
-11.4681 -11.4674 -11.4574 -11.4574 -10.4373 -10.4371 -10.4319 -10.4318
-10.4280 -10.4280 -0.1842 -0.1790 4.8762 4.8785 5.0892 5.1656
5.2623 5.2913 5.9120 5.9816 6.5401 6.5407 6.6556 6.6962
9.0301 9.1809 9.8253 9.8690 10.9903 11.1268 13.5583 13.7477
13.8144 13.9455 14.0396 14.0627
k = 0.4741 0.2737 0.2886 ( 2859 PWs) bands (ev):
-30.5287 -30.5286 -13.4180 -13.4179 -13.4170 -13.4168 -11.8408 -11.8394
-11.4681 -11.4672 -11.4575 -11.4575 -10.4373 -10.4371 -10.4321 -10.4320
-10.4282 -10.4282 -0.1821 -0.1759 4.8760 4.8799 5.0831 5.1622
5.2787 5.3015 5.9063 5.9908 6.5431 6.5442 6.6520 6.7012
8.9702 9.1454 9.7640 9.8216 11.0762 11.2299 13.5230 13.7229
13.8079 13.9421 14.0463 14.0746
k = 0.4698 0.2713 0.3027 ( 2861 PWs) bands (ev):
-30.5287 -30.5286 -13.4180 -13.4179 -13.4169 -13.4167 -11.8409 -11.8392
-11.4681 -11.4670 -11.4575 -11.4575 -10.4373 -10.4371 -10.4323 -10.4322
-10.4285 -10.4285 -0.1795 -0.1724 4.8756 4.8816 5.0785 5.1576
5.2975 5.3118 5.9008 6.0007 6.5465 6.5482 6.6485 6.7065
8.9047 9.1005 9.7063 9.7757 11.1657 11.3354 13.4866 13.6837
13.8127 13.9397 14.0528 14.0856
k = 0.4655 0.2688 0.3167 ( 2859 PWs) bands (ev):
-30.5287 -30.5286 -13.4180 -13.4178 -13.4169 -13.4166 -11.8409 -11.8390
-11.4681 -11.4669 -11.4576 -11.4576 -10.4373 -10.4371 -10.4325 -10.4324
-10.4287 -10.4287 -0.1766 -0.1684 4.8751 4.8838 5.0753 5.1525
5.3179 5.3220 5.8954 6.0111 6.5502 6.5528 6.6451 6.7122
8.8346 9.0471 9.6534 9.7316 11.2561 11.4414 13.4500 13.6392
13.8210 13.9387 14.0590 14.0957
k = 0.4612 0.2663 0.3308 ( 2859 PWs) bands (ev):
-30.5287 -30.5286 -13.4179 -13.4177 -13.4168 -13.4165 -11.8409 -11.8387
-11.4680 -11.4667 -11.4577 -11.4577 -10.4374 -10.4371 -10.4328 -10.4327
-10.4290 -10.4290 -0.1732 -0.1641 4.8744 4.8864 5.0734 5.1473
5.3322 5.3393 5.8901 6.0221 6.5541 6.5579 6.6420 6.7182
8.7611 8.9865 9.6052 9.6893 11.3454 11.5463 13.4147 13.5930
13.8304 13.9389 14.0650 14.1050
k = 0.4569 0.2638 0.3449 ( 2858 PWs) bands (ev):
-30.5287 -30.5286 -13.4179 -13.4176 -13.4167 -13.4163 -11.8408 -11.8385
-11.4680 -11.4665 -11.4578 -11.4578 -10.4374 -10.4371 -10.4330 -10.4330
-10.4293 -10.4292 -0.1695 -0.1595 4.8737 4.8895 5.0727 5.1421
5.3422 5.3613 5.8851 6.0336 6.5580 6.5633 6.6392 6.7246
8.6853 8.9205 9.5613 9.6487 11.4318 11.6486 13.3820 13.5472
13.8403 13.9405 14.0708 14.1135
k = 0.4526 0.2613 0.3590 ( 2868 PWs) bands (ev):
-30.5287 -30.5286 -13.4179 -13.4175 -13.4167 -13.4162 -11.8408 -11.8383
-11.4680 -11.4663 -11.4580 -11.4579 -10.4374 -10.4371 -10.4334 -10.4333
-10.4296 -10.4295 -0.1654 -0.1546 4.8730 4.8930 5.0733 5.1371
5.3519 5.3837 5.8804 6.0457 6.5617 6.5691 6.6369 6.7315
8.6082 8.8508 9.5208 9.6095 11.5134 11.7465 13.3536 13.5037
13.8505 13.9434 14.0763 14.1212
k = 0.4483 0.2588 0.3731 ( 2871 PWs) bands (ev):
-30.5286 -30.5286 -13.4178 -13.4174 -13.4166 -13.4160 -11.8408 -11.8381
-11.4679 -11.4661 -11.4581 -11.4580 -10.4374 -10.4371 -10.4337 -10.4337
-10.4299 -10.4298 -0.1611 -0.1495 4.8722 4.8970 5.0750 5.1324
5.3613 5.4059 5.8763 6.0582 6.5649 6.5751 6.6355 6.7387
8.5308 8.7790 9.4830 9.5714 11.5884 11.8383 13.3312 13.4642
13.8611 13.9475 14.0814 14.1278
k = 0.4440 0.2563 0.3871 ( 2865 PWs) bands (ev):
-30.5286 -30.5285 -13.4178 -13.4173 -13.4165 -13.4159 -11.8407 -11.8379
-11.4678 -11.4659 -11.4582 -11.4581 -10.4374 -10.4371 -10.4341 -10.4340
-10.4302 -10.4301 -0.1565 -0.1442 4.8715 4.9014 5.0778 5.1280
5.3702 5.4277 5.8728 6.0711 6.5671 6.5812 6.6354 6.7465
8.4539 8.7067 9.4471 9.5344 11.6550 11.9221 13.3163 13.4308
13.8719 13.9529 14.0860 14.1335
k = 0.4397 0.2538 0.4012 ( 2869 PWs) bands (ev):
-30.5286 -30.5285 -13.4178 -13.4172 -13.4164 -13.4157 -11.8406 -11.8377
-11.4678 -11.4656 -11.4583 -11.4582 -10.4375 -10.4372 -10.4345 -10.4344
-10.4305 -10.4304 -0.1517 -0.1387 4.8708 4.9063 5.0816 5.1239
5.3786 5.4486 5.8702 6.0844 6.5681 6.5874 6.6367 6.7546
8.3782 8.6351 9.4127 9.4984 11.7118 11.9958 13.3103 13.4053
13.8831 13.9593 14.0900 14.1378
k = 0.4353 0.2513 0.4153 ( 2873 PWs) bands (ev):
-30.5286 -30.5285 -13.4177 -13.4171 -13.4163 -13.4155 -11.8406 -11.8375
-11.4677 -11.4654 -11.4585 -11.4583 -10.4375 -10.4372 -10.4350 -10.4348
-10.4308 -10.4306 -0.1468 -0.1331 4.8701 4.9117 5.0863 5.1201
5.3863 5.4682 5.8689 6.0978 6.5676 6.5936 6.6397 6.7630
8.3046 8.5651 9.3793 9.4632 11.7574 12.0575 13.3142 13.3895
13.8947 13.9667 14.0932 14.1405
k = 0.4310 0.2489 0.4294 ( 2871 PWs) bands (ev):
-30.5286 -30.5285 -13.4177 -13.4170 -13.4162 -13.4154 -11.8405 -11.8372
-11.4676 -11.4652 -11.4586 -11.4584 -10.4376 -10.4373 -10.4354 -10.4352
-10.4311 -10.4309 -0.1418 -0.1275 4.8695 4.9175 5.0919 5.1167
5.3933 5.4860 5.8692 6.1115 6.5656 6.5995 6.6444 6.7716
8.2336 8.4978 9.3468 9.4289 11.7914 12.1056 13.3284 13.3846
13.9065 13.9751 14.0954 14.1415
k = 0.4267 0.2464 0.4434 ( 2867 PWs) bands (ev):
-30.5286 -30.5285 -13.4176 -13.4169 -13.4161 -13.4152 -11.8403 -11.8370
-11.4675 -11.4650 -11.4588 -11.4585 -10.4376 -10.4374 -10.4358 -10.4356
-10.4314 -10.4311 -0.1367 -0.1219 4.8689 4.9236 5.0982 5.1136
5.3994 5.5015 5.8715 6.1251 6.5623 6.6053 6.6504 6.7802
8.1660 8.4339 9.3151 9.3955 11.8136 12.1393 13.3525 13.3909
13.9187 13.9843 14.0964 14.1403
k = 0.4224 0.2439 0.4575 ( 2867 PWs) bands (ev):
-30.5286 -30.5285 -13.4176 -13.4168 -13.4160 -13.4151 -11.8402 -11.8368
-11.4675 -11.4647 -11.4589 -11.4586 -10.4377 -10.4376 -10.4362 -10.4360
-10.4317 -10.4314 -0.1316 -0.1163 4.8683 4.9301 5.1054 5.1108
5.4045 5.5141 5.8762 6.1387 6.5581 6.6107 6.6574 6.7885
8.1025 8.3741 9.2840 9.3631 11.8248 12.1587 13.3855 13.4076
13.9309 13.9941 14.0962 14.1366
k = 0.4181 0.2414 0.4716 ( 2864 PWs) bands (ev):
-30.5286 -30.5285 -13.4175 -13.4167 -13.4159 -13.4149 -11.8401 -11.8366
-11.4674 -11.4645 -11.4590 -11.4586 -10.4378 -10.4378 -10.4366 -10.4364
-10.4320 -10.4316 -0.1266 -0.1109 4.8678 4.9369 5.1083 5.1133
5.4086 5.5235 5.8836 6.1522 6.5532 6.6158 6.6650 6.7964
8.0437 8.3190 9.2536 9.3318 11.8262 12.1652 13.4255 13.4327
13.9430 14.0044 14.0948 14.1300
k = 0.4138 0.2389 0.4857 ( 2866 PWs) bands (ev):
-30.5286 -30.5284 -13.4175 -13.4166 -13.4158 -13.4148 -11.8400 -11.8364
-11.4673 -11.4643 -11.4592 -11.4587 -10.4381 -10.4379 -10.4368 -10.4367
-10.4323 -10.4318 -0.1217 -0.1056 4.8672 4.9439 5.1061 5.1218
5.4115 5.5295 5.8938 6.1654 6.5479 6.6204 6.6730 6.8034
7.9903 8.2691 9.2239 9.3017 11.8193 12.1605 13.4632 13.4707
13.9543 14.0148 14.0925 14.1203
k = 0.4095 0.2364 0.4998 ( 2860 PWs) bands (ev):
-30.5285 -30.5284 -13.4174 -13.4165 -13.4157 -13.4146 -11.8398 -11.8362
-11.4672 -11.4640 -11.4593 -11.4587 -10.4384 -10.4381 -10.4370 -10.4370
-10.4325 -10.4320 -0.1170 -0.1006 4.8665 4.9510 5.1042 5.1309
5.4131 5.5319 5.9069 6.1783 6.5424 6.6247 6.6810 6.8092
7.9429 8.2250 9.1951 9.2729 11.8058 12.1470 13.4956 13.5187
13.9642 14.0245 14.0903 14.1079
k = 0.4052 0.2339 0.5138 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4173 -13.4164 -13.4155 -13.4145 -11.8397 -11.8361
-11.4672 -11.4638 -11.4594 -11.4587 -10.4387 -10.4383 -10.4373 -10.4372
-10.4328 -10.4322 -0.1126 -0.0959 4.8657 4.9582 5.1024 5.1406
5.4133 5.5309 5.9226 6.1909 6.5369 6.6285 6.6888 6.8134
7.9022 8.1870 9.1672 9.2455 11.7872 12.1268 13.5264 13.5673
13.9714 14.0314 14.0896 14.0943
k = 0.4009 0.2314 0.5279 ( 2858 PWs) bands (ev):
-30.5285 -30.5284 -13.4173 -13.4163 -13.4154 -13.4144 -11.8395 -11.8359
-11.4671 -11.4636 -11.4596 -11.4587 -10.4391 -10.4385 -10.4375 -10.4374
-10.4330 -10.4324 -0.1084 -0.0916 4.8648 4.9654 5.1008 5.1506
5.4122 5.5269 5.9407 6.2030 6.5317 6.6318 6.6961 6.8157
7.8687 8.1555 9.1403 9.2198 11.7647 12.1019 13.5517 13.6144
13.9753 14.0303 14.0847 14.0921
k = 0.3966 0.2289 0.5420 ( 2864 PWs) bands (ev):
-30.5285 -30.5284 -13.4172 -13.4163 -13.4153 -13.4142 -11.8394 -11.8358
-11.4671 -11.4635 -11.4597 -11.4587 -10.4394 -10.4387 -10.4377 -10.4376
-10.4333 -10.4326 -0.1047 -0.0878 4.8637 4.9724 5.0992 5.1607
5.4097 5.5202 5.9607 6.2147 6.5270 6.6347 6.7028 6.8159
7.8427 8.1307 9.1146 9.1958 11.7398 12.0739 13.5682 13.6578
13.9763 14.0160 14.0847 14.0987
k = 0.3922 0.2265 0.5561 ( 2870 PWs) bands (ev):
-30.5285 -30.5284 -13.4171 -13.4162 -13.4152 -13.4141 -11.8393 -11.8357
-11.4671 -11.4634 -11.4598 -11.4587 -10.4397 -10.4389 -10.4379 -10.4378
-10.4335 -10.4328 -0.1014 -0.0844 4.8624 4.9791 5.0977 5.1709
5.4059 5.5114 5.9822 6.2259 6.5230 6.6371 6.7088 6.8140
7.8246 8.1127 9.0902 9.1737 11.7131 12.0439 13.5731 13.6951
13.9766 13.9926 14.0909 14.1086
k = 0.3879 0.2240 0.5701 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4171 -13.4162 -13.4151 -13.4141 -11.8391 -11.8355
-11.4671 -11.4632 -11.4598 -11.4587 -10.4400 -10.4391 -10.4381 -10.4380
-10.4337 -10.4329 -0.0985 -0.0817 4.8609 4.9854 5.0962 5.1807
5.4012 5.5010 6.0048 6.2367 6.5200 6.6391 6.7139 6.8100
7.8142 8.1016 9.0673 9.1537 11.6857 12.0131 13.5648 13.7228
13.9673 13.9785 14.0985 14.1202
k = 0.3836 0.2215 0.5842 ( 2864 PWs) bands (ev):
-30.5285 -30.5284 -13.4170 -13.4161 -13.4150 -13.4140 -11.8389 -11.8354
-11.4671 -11.4632 -11.4598 -11.4586 -10.4402 -10.4393 -10.4383 -10.4382
-10.4339 -10.4331 -0.0963 -0.0796 4.8590 4.9910 5.0945 5.1898
5.3958 5.4894 6.0282 6.2469 6.5182 6.6405 6.7181 6.8043
7.8115 8.0973 9.0458 9.1358 11.6581 11.9822 13.5434 13.7361
13.9466 13.9833 14.1053 14.1317
k = 0.3793 0.2190 0.5983 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4169 -13.4160 -13.4150 -13.4139 -11.8388 -11.8353
-11.4671 -11.4631 -11.4597 -11.4585 -10.4404 -10.4395 -10.4385 -10.4384
-10.4340 -10.4332 -0.0947 -0.0781 4.8569 4.9959 5.0925 5.1975
5.3902 5.4773 6.0521 6.2566 6.5177 6.6413 6.7216 6.7973
7.8161 8.0995 9.0261 9.1202 11.6307 11.9516 13.5106 13.7297
13.9364 13.9908 14.1097 14.1411
k = 0.3750 0.2165 0.6124 ( 2870 PWs) bands (ev):
-30.5285 -30.5284 -13.4168 -13.4160 -13.4149 -13.4139 -11.8387 -11.8352
-11.4671 -11.4632 -11.4597 -11.4584 -10.4405 -10.4396 -10.4387 -10.4386
-10.4342 -10.4334 -0.0938 -0.0775 4.8544 4.9996 5.0901 5.2033
5.3853 5.4651 6.0762 6.2657 6.5187 6.6414 6.7244 6.7898
7.8274 8.1080 9.0083 9.1071 11.6040 11.9217 13.4686 13.7033
13.9381 14.0002 14.1106 14.1467
k = 0.6250-0.0722 0.4082 ( 2870 PWs) bands (ev):
-30.5285 -30.5284 -13.4168 -13.4160 -13.4149 -13.4139 -11.8387 -11.8352
-11.4671 -11.4632 -11.4597 -11.4584 -10.4405 -10.4396 -10.4387 -10.4386
-10.4342 -10.4334 -0.0938 -0.0775 4.8544 4.9996 5.0901 5.2033
5.3853 5.4651 6.0762 6.2657 6.5187 6.6414 6.7244 6.7898
7.8274 8.1080 9.0083 9.1071 11.6040 11.9217 13.4686 13.7033
13.9381 14.0002 14.1106 14.1467
k = 0.6176-0.0849 0.4082 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4167 -13.4159 -13.4148 -13.4138 -11.8384 -11.8351
-11.4671 -11.4632 -11.4595 -11.4582 -10.4407 -10.4398 -10.4390 -10.4390
-10.4344 -10.4336 -0.0932 -0.0774 4.8500 5.0040 5.0859 5.2104
5.3776 5.4456 6.1170 6.2809 6.5225 6.6406 6.7284 6.7774
7.8543 8.1301 8.9805 9.0880 11.5595 11.8720 13.3831 13.6271
13.9620 14.0195 14.1028 14.1463
k = 0.6103-0.0976 0.4082 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4166 -13.4158 -13.4147 -13.4137 -11.8381 -11.8349
-11.4671 -11.4633 -11.4593 -11.4580 -10.4409 -10.4400 -10.4395 -10.4394
-10.4346 -10.4338 -0.0930 -0.0778 4.8458 5.0055 5.0832 5.2165
5.3698 5.4278 6.1569 6.2958 6.5276 6.6389 6.7317 6.7659
7.8854 8.1569 8.9548 9.0714 11.5161 11.8231 13.2864 13.5303
13.9995 14.0373 14.0851 14.1386
k = 0.6029-0.1104 0.4082 ( 2866 PWs) bands (ev):
-30.5285 -30.5284 -13.4165 -13.4157 -13.4146 -13.4137 -11.8378 -11.8348
-11.4671 -11.4634 -11.4590 -11.4578 -10.4411 -10.4402 -10.4399 -10.4399
-10.4348 -10.4340 -0.0932 -0.0786 4.8419 5.0034 5.0830 5.2217
5.3616 5.4117 6.1957 6.3104 6.5338 6.6361 6.7341 6.7555
7.9203 8.1880 8.9315 9.0572 11.4740 11.7750 13.1824 13.4237
14.0351 14.0409 14.0668 14.1389
k = 0.5956-0.1231 0.4082 ( 2866 PWs) bands (ev):
-30.5285 -30.5284 -13.4163 -13.4156 -13.4145 -13.4136 -11.8375 -11.8347
-11.4670 -11.4636 -11.4588 -11.4576 -10.4413 -10.4404 -10.4404 -10.4403
-10.4349 -10.4341 -0.0937 -0.0798 4.8383 4.9975 5.0858 5.2262
5.3533 5.3971 6.2330 6.3246 6.5408 6.6321 6.7354 6.7463
7.9585 8.2226 8.9111 9.0458 11.4332 11.7276 13.0746 13.3123
14.0231 14.0244 14.0940 14.1567
k = 0.5882-0.1358 0.4082 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4162 -13.4156 -13.4144 -13.4136 -11.8372 -11.8345
-11.4670 -11.4637 -11.4585 -11.4574 -10.4414 -10.4409 -10.4407 -10.4406
-10.4350 -10.4343 -0.0944 -0.0813 4.8352 4.9885 5.0912 5.2300
5.3448 5.3839 6.2686 6.3384 6.5481 6.6266 6.7358 6.7387
7.9992 8.2597 8.8941 9.0373 11.3939 11.6808 12.9658 13.1989
13.9938 13.9976 14.1373 14.1843
k = 0.5809-0.1486 0.4082 ( 2864 PWs) bands (ev):
-30.5285 -30.5284 -13.4161 -13.4155 -13.4143 -13.4135 -11.8369 -11.8344
-11.4669 -11.4639 -11.4582 -11.4572 -10.4416 -10.4413 -10.4412 -10.4408
-10.4351 -10.4344 -0.0953 -0.0831 4.8325 4.9774 5.0983 5.2333
5.3362 5.3720 6.3024 6.3519 6.5556 6.6196 6.7325 6.7351
8.0417 8.2979 8.8813 9.0317 11.3563 11.6342 12.8583 13.0859
13.9636 13.9681 14.1807 14.2151
k = 0.5735-0.1613 0.4082 ( 2864 PWs) bands (ev):
-30.5285 -30.5284 -13.4160 -13.4154 -13.4142 -13.4135 -11.8367 -11.8343
-11.4669 -11.4640 -11.4579 -11.4570 -10.4418 -10.4416 -10.4416 -10.4410
-10.4352 -10.4345 -0.0962 -0.0849 4.8305 4.9650 5.1066 5.2361
5.3275 5.3611 6.3343 6.3650 6.5629 6.6112 6.7277 6.7335
8.0852 8.3356 8.8735 9.0291 11.3205 11.5876 12.7546 12.9750
13.9345 13.9388 14.2227 14.2463
k = 0.5662-0.1741 0.4082 ( 2858 PWs) bands (ev):
-30.5285 -30.5284 -13.4159 -13.4154 -13.4141 -13.4135 -11.8364 -11.8342
-11.4668 -11.4642 -11.4576 -11.4568 -10.4422 -10.4420 -10.4418 -10.4411
-10.4352 -10.4346 -0.0972 -0.0869 4.8290 4.9520 5.1157 5.2384
5.3190 5.3512 6.3643 6.3779 6.5695 6.6017 6.7240 6.7311
8.1287 8.3705 8.8717 9.0294 11.2868 11.5409 12.6568 12.8680
13.9071 13.9110 14.2625 14.2767
k = 0.5588-0.1868 0.4082 ( 2858 PWs) bands (ev):
-30.5285 -30.5284 -13.4158 -13.4153 -13.4140 -13.4135 -11.8361 -11.8342
-11.4667 -11.4644 -11.4574 -11.4566 -10.4426 -10.4424 -10.4419 -10.4413
-10.4352 -10.4347 -0.0982 -0.0889 4.8283 4.9389 5.1253 5.2402
5.3106 5.3421 6.3907 6.3923 6.5753 6.5912 6.7212 6.7281
8.1714 8.4008 8.8771 9.0324 11.2556 11.4937 12.5670 12.7663
13.8820 13.8854 14.2998 14.3056
k = 0.5515-0.1995 0.4082 ( 2862 PWs) bands (ev):
-30.5285 -30.5284 -13.4157 -13.4153 -13.4139 -13.4134 -11.8358 -11.8341
-11.4666 -11.4646 -11.4571 -11.4565 -10.4429 -10.4428 -10.4420 -10.4415
-10.4353 -10.4348 -0.0991 -0.0909 4.8283 4.9259 5.1352 5.2413
5.3028 5.3338 6.4033 6.4183 6.5798 6.5801 6.7190 6.7247
8.2123 8.4245 8.8898 9.0378 11.2272 11.4462 12.4868 12.6712
13.8595 13.8623 14.3324 14.3340
k = 0.5441-0.2123 0.4082 ( 2866 PWs) bands (ev):
-30.5285 -30.5284 -13.4156 -13.4153 -13.4139 -13.4134 -11.8356 -11.8341
-11.4666 -11.4648 -11.4569 -11.4564 -10.4432 -10.4431 -10.4421 -10.4416
-10.4353 -10.4349 -0.0999 -0.0927 4.8291 4.9133 5.1454 5.2415
5.2959 5.3261 6.4158 6.4423 6.5687 6.5827 6.7173 6.7213
8.2508 8.4408 8.9095 9.0447 11.2023 11.3987 12.4179 12.5841
13.8396 13.8420 14.3567 14.3648
k = 0.5368-0.2250 0.4082 ( 2866 PWs) bands (ev):
-30.5284 -30.5284 -13.4155 -13.4152 -13.4138 -13.4134 -11.8354 -11.8341
-11.4665 -11.4650 -11.4567 -11.4562 -10.4435 -10.4434 -10.4422 -10.4418
-10.4353 -10.4349 -0.1005 -0.0945 4.8308 4.9013 5.1558 5.2401
5.2905 5.3190 6.4282 6.4643 6.5570 6.5837 6.7159 6.7180
8.2864 8.4497 8.9345 9.0523 11.1817 11.3519 12.3613 12.5059
13.8227 13.8247 14.3784 14.3917
k = 0.5294-0.2377 0.4082 ( 2860 PWs) bands (ev):
-30.5284 -30.5284 -13.4154 -13.4152 -13.4137 -13.4134 -11.8351 -11.8341
-11.4663 -11.4651 -11.4565 -11.4561 -10.4437 -10.4436 -10.4422 -10.4419
-10.4353 -10.4350 -0.1010 -0.0961 4.8335 4.8900 5.1662 5.2368
5.2870 5.3125 6.4406 6.4839 6.5458 6.5825 6.7146 6.7152
8.3186 8.4519 8.9623 9.0592 11.1664 11.3070 12.3179 12.4377
13.8088 13.8103 14.3970 14.4141
k = 0.5221-0.2505 0.4082 ( 2864 PWs) bands (ev):
-30.5284 -30.5284 -13.4154 -13.4152 -13.4137 -13.4134 -11.8350 -11.8342
-11.4662 -11.4653 -11.4564 -11.4561 -10.4439 -10.4438 -10.4422 -10.4420
-10.4353 -10.4350 -0.1012 -0.0975 4.8370 4.8795 5.1766 5.2315
5.2858 5.3065 6.4529 6.4998 6.5363 6.5789 6.7131 6.7134
8.3474 8.4485 8.9901 9.0640 11.1573 11.2654 12.2878 12.3801
13.7979 13.7990 14.4125 14.4308
k = 0.5147-0.2632 0.4082 ( 2874 PWs) bands (ev):
-30.5284 -30.5284 -13.4153 -13.4152 -13.4136 -13.4135 -11.8348 -11.8343
-11.4661 -11.4655 -11.4563 -11.4561 -10.4440 -10.4440 -10.4423 -10.4421
-10.4352 -10.4351 -0.1012 -0.0988 4.8416 4.8699 5.1869 5.2243
5.2865 5.3010 6.4652 6.5062 6.5344 6.5730 6.7118 6.7124
8.3727 8.4405 9.0155 9.0652 11.1554 11.2287 12.2712 12.3339
13.7901 13.7908 14.4248 14.4402
k = 0.5074-0.2759 0.4082 ( 2874 PWs) bands (ev):
-30.5284 -30.5284 -13.4153 -13.4152 -13.4136 -13.4135 -11.8346 -11.8344
-11.4660 -11.4657 -11.4562 -11.4561 -10.4441 -10.4441 -10.4422 -10.4422
-10.4352 -10.4351 -0.1010 -0.0997 4.8472 4.8614 5.1970 5.2160
5.2887 5.2962 6.4773 6.4998 6.5433 6.5648 6.7112 6.7117
8.3946 8.4286 9.0366 9.0615 11.1614 11.1985 12.2678 12.2995
13.7855 13.7859 14.4339 14.4424
k = 0.5000-0.2887 0.4082 ( 2874 PWs) bands (ev):
-30.5284 -30.5284 -13.4152 -13.4152 -13.4135 -13.4135 -11.8345 -11.8345
-11.4658 -11.4658 -11.4562 -11.4562 -10.4441 -10.4441 -10.4422 -10.4422
-10.4352 -10.4352 -0.1005 -0.1005 4.8537 4.8537 5.2067 5.2067
5.2921 5.2921 6.4891 6.4891 6.5546 6.5546 6.7112 6.7112
8.4133 8.4133 9.0521 9.0521 11.1758 11.1758 12.2773 12.2773
13.7841 13.7841 14.4399 14.4399
Writing output data file CaBiAu.save
init_run : 1.20s CPU 0.69s WALL ( 1 calls)
electrons : 287.71s CPU 195.71s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.01s CPU 0.01s WALL ( 1 calls)
potinit : 0.12s CPU 0.08s WALL ( 1 calls)
Called by electrons:
c_bands : 287.70s CPU 195.70s WALL ( 1 calls)
v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.01s CPU 0.01s WALL ( 1 calls)
newd : 0.31s CPU 0.18s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.18s CPU 0.27s WALL ( 310 calls)
cegterg : 258.86s CPU 177.56s WALL ( 618 calls)
Called by sum_band:
Called by *egterg:
h_psi : 180.75s CPU 111.92s WALL ( 8904 calls)
s_psi : 6.98s CPU 4.61s WALL ( 8904 calls)
g_psi : 0.26s CPU 0.18s WALL ( 7976 calls)
cdiaghg : 72.98s CPU 58.35s WALL ( 8286 calls)
cegterg:over : 7.54s CPU 5.51s WALL ( 7976 calls)
cegterg:upda : 5.83s CPU 4.27s WALL ( 7976 calls)
cegterg:last : 2.90s CPU 2.20s WALL ( 1568 calls)
cdiaghg:chol : 3.93s CPU 3.26s WALL ( 8286 calls)
cdiaghg:inve : 2.11s CPU 1.83s WALL ( 8286 calls)
cdiaghg:para : 4.13s CPU 3.27s WALL ( 16572 calls)
Called by h_psi:
h_psi:vloc : 165.08s CPU 101.06s WALL ( 8904 calls)
h_psi:vnl : 15.47s CPU 10.70s WALL ( 8904 calls)
add_vuspsi : 9.43s CPU 6.27s WALL ( 8904 calls)
General routines
calbec : 5.99s CPU 4.39s WALL ( 8904 calls)
fft : 0.03s CPU 0.01s WALL ( 19 calls)
ffts : 0.02s CPU 0.01s WALL ( 4 calls)
fftw : 154.34s CPU 94.06s WALL ( 857828 calls)
interpolate : 0.03s CPU 0.02s WALL ( 4 calls)
davcio : 0.30s CPU 0.49s WALL ( 620 calls)
Parallel routines
fft_scatter : 56.14s CPU 38.24s WALL ( 857851 calls)
PWSCF : 5m 0.84s CPU 3m37.02s WALL
This run was terminated on: 6:15:51 11Feb2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=