Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:46:59
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 36 processors
R & G space division: proc/nbgrp/npool/nimage = 36
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./Mg2Pb.save/
file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized
file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per k-point group (pool) will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 61 38 10 1915 914 137
Max 62 39 11 1919 926 143
Sum 2221 1369 379 69041 33079 5029
bravais-lattice index = 14
lattice parameter (alat) = 9.1345 a.u.
unit-cell volume = 538.9428 (a.u.)^3
number of atoms/cell = 3
number of atomic types = 2
number of electrons = 34.00
number of Kohn-Sham states= 42
kinetic-energy cutoff = 59.0000 Ry
charge density cutoff = 386.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 9.134523 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 Pb read from file:
/users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF
MD5 check sum: 75f9fe62f948a5acf869e43db2c29526
Pseudo is Ultrasoft + core correction, Zval = 14.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1281 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 Mg read from file:
/users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF
MD5 check sum: 99618f2d1dea131ec68d28ce241ef835
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 1129 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
Pb 14.00 207.20000 Pb( 1.00)
Mg 10.00 24.30500 Mg( 1.00)
12 Sym. Ops., with inversion, found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 180 deg rotation - cart. axis [1,0,0]
cryst. s( 2) = ( 1 0 0 )
( 1 -1 0 )
( 1 0 -1 )
cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 3 120 deg rotation - cryst. axis [0,0,1]
cryst. s( 3) = ( -1 1 0 )
( -1 0 0 )
( -1 0 1 )
cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 )
( 0.8660254 -0.5000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 4 120 deg rotation - cryst. axis [0,0,-1]
cryst. s( 4) = ( 0 -1 0 )
( 1 -1 0 )
( 0 -1 1 )
cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 5 180 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 = 6 180 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 )
isym = 7 inversion
cryst. s( 7) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 8 inv. 180 deg rotation - cart. axis [1,0,0]
cryst. s( 8) = ( -1 0 0 )
( -1 1 0 )
( -1 0 1 )
cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1]
cryst. s( 9) = ( 1 -1 0 )
( 1 0 0 )
( 1 0 -1 )
cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 )
( -0.8660254 0.5000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1]
cryst. s(10) = ( 0 1 0 )
( -1 1 0 )
( 0 1 -1 )
cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 )
( 0.8660254 0.5000000 -0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0]
cryst. s(11) = ( 0 1 0 )
( 1 0 0 )
( 0 0 1 )
cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 )
( 0.8660254 -0.5000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0]
cryst. s(12) = ( 1 -1 0 )
( 0 -1 0 )
( 0 -1 1 )
cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 )
( -0.8660254 -0.5000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
double point group D_3d (-3m)
there are 12 classes and 6 irreducible representations
the character table:
E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v
G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 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 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 1.00 -1.00 -1.00 1.00 0.00 0.00
G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -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 -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 -1.00 1.00 1.00 -1.00 0.00 0.00
imaginary part
E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v
G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 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 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 0.00 0.00 0.00 0.00 -1.00 1.00
G_4- 0.00 0.00 0.00 0.00 0.00 0.00 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 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 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 3 4
120 deg rotation - cryst. axis [0,0,1]
-2C3 -3 -4
120 deg rotation - cryst. axis [0,0,1] E
3C2' 2 5 -6
180 deg rotation - cart. axis [1,0,0]
3C2' 6 -5 -2
180 deg rotation - cryst. axis [1,1,0]
i 7
inversion
-i -7
inversion E
2S6 9 10
inv. 120 deg rotation - cryst. axis [0,0,1]
-2S6 -9 -10
inv. 120 deg rotation - cryst. axis [0,0,1] E
3s_v 8 11 -12
inv. 180 deg rotation - cart. axis [1,0,0]
3s_v 12 -11 -8
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 0.1086956), 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 0.3586956), 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 0.1086956 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 0.6413043), 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 0.3308823 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 0.5816326), 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 0.1683673 0.3367347), wk = 0.0032258
k( 118) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0032258
k( 119) = ( 0.1530612 0.1530612 0.3061224), 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 0.2954545 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 0.4015151 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 0.5454545), 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 0.5431034), 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 0.7068965), 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: 69041 G-vectors FFT dimensions: ( 60, 60, 60)
Smooth grid: 33079 G-vectors FFT dimensions: ( 45, 45, 45)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.15 Mb ( 236, 42)
NL pseudopotentials 0.11 Mb ( 118, 62)
Each V/rho on FFT grid 0.11 Mb ( 7200)
Each G-vector array 0.01 Mb ( 1919)
G-vector shells 0.00 Mb ( 495)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.60 Mb ( 236, 168)
Each subspace H/S matrix 0.03 Mb ( 42, 42)
Each <psi_i|beta_j> matrix 0.08 Mb ( 62, 2, 42)
Check: negative/imaginary core charge= -0.000013 0.000000
The potential is recalculated from file :
./Mg2Pb.save/charge-density.dat
Starting wfc are 38 randomized atomic wfcs + 4 random wfc
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 1.8 secs
Computing kpt #: 2
total cpu time spent up to now is 2.0 secs
Computing kpt #: 3
total cpu time spent up to now is 2.2 secs
Computing kpt #: 4
total cpu time spent up to now is 2.4 secs
Computing kpt #: 5
total cpu time spent up to now is 2.7 secs
Computing kpt #: 6
total cpu time spent up to now is 2.9 secs
Computing kpt #: 7
total cpu time spent up to now is 3.2 secs
Computing kpt #: 8
total cpu time spent up to now is 3.4 secs
Computing kpt #: 9
total cpu time spent up to now is 3.6 secs
Computing kpt #: 10
total cpu time spent up to now is 3.9 secs
Computing kpt #: 11
total cpu time spent up to now is 4.1 secs
Computing kpt #: 12
total cpu time spent up to now is 4.4 secs
Computing kpt #: 13
total cpu time spent up to now is 4.6 secs
Computing kpt #: 14
total cpu time spent up to now is 4.9 secs
Computing kpt #: 15
total cpu time spent up to now is 5.2 secs
Computing kpt #: 16
total cpu time spent up to now is 5.5 secs
Computing kpt #: 17
total cpu time spent up to now is 5.8 secs
Computing kpt #: 18
total cpu time spent up to now is 6.1 secs
Computing kpt #: 19
total cpu time spent up to now is 6.3 secs
Computing kpt #: 20
total cpu time spent up to now is 6.6 secs
Computing kpt #: 21
total cpu time spent up to now is 6.9 secs
Computing kpt #: 22
total cpu time spent up to now is 7.2 secs
Computing kpt #: 23
total cpu time spent up to now is 7.5 secs
Computing kpt #: 24
total cpu time spent up to now is 7.8 secs
Computing kpt #: 25
total cpu time spent up to now is 8.1 secs
Computing kpt #: 26
total cpu time spent up to now is 8.4 secs
Computing kpt #: 27
total cpu time spent up to now is 8.7 secs
Computing kpt #: 28
total cpu time spent up to now is 9.1 secs
Computing kpt #: 29
total cpu time spent up to now is 9.4 secs
Computing kpt #: 30
total cpu time spent up to now is 9.7 secs
Computing kpt #: 31
total cpu time spent up to now is 10.0 secs
Computing kpt #: 32
total cpu time spent up to now is 10.3 secs
Computing kpt #: 33
total cpu time spent up to now is 10.6 secs
Computing kpt #: 34
total cpu time spent up to now is 10.9 secs
Computing kpt #: 35
total cpu time spent up to now is 11.3 secs
Computing kpt #: 36
total cpu time spent up to now is 11.6 secs
Computing kpt #: 37
total cpu time spent up to now is 11.9 secs
Computing kpt #: 38
total cpu time spent up to now is 12.2 secs
Computing kpt #: 39
total cpu time spent up to now is 12.5 secs
Computing kpt #: 40
total cpu time spent up to now is 12.8 secs
Computing kpt #: 41
total cpu time spent up to now is 13.2 secs
Computing kpt #: 42
total cpu time spent up to now is 13.6 secs
Computing kpt #: 43
total cpu time spent up to now is 14.0 secs
Computing kpt #: 44
total cpu time spent up to now is 14.4 secs
Computing kpt #: 45
total cpu time spent up to now is 14.8 secs
Computing kpt #: 46
total cpu time spent up to now is 15.2 secs
Computing kpt #: 47
total cpu time spent up to now is 15.6 secs
Computing kpt #: 48
total cpu time spent up to now is 16.0 secs
Computing kpt #: 49
total cpu time spent up to now is 16.4 secs
Computing kpt #: 50
total cpu time spent up to now is 16.7 secs
Computing kpt #: 51
total cpu time spent up to now is 17.1 secs
Computing kpt #: 52
total cpu time spent up to now is 17.4 secs
Computing kpt #: 53
total cpu time spent up to now is 17.7 secs
Computing kpt #: 54
total cpu time spent up to now is 18.0 secs
Computing kpt #: 55
total cpu time spent up to now is 18.3 secs
Computing kpt #: 56
total cpu time spent up to now is 18.6 secs
Computing kpt #: 57
total cpu time spent up to now is 18.9 secs
Computing kpt #: 58
total cpu time spent up to now is 19.2 secs
Computing kpt #: 59
total cpu time spent up to now is 19.4 secs
Computing kpt #: 60
total cpu time spent up to now is 19.7 secs
Computing kpt #: 61
total cpu time spent up to now is 20.0 secs
Computing kpt #: 62
total cpu time spent up to now is 20.2 secs
Computing kpt #: 63
total cpu time spent up to now is 20.5 secs
Computing kpt #: 64
total cpu time spent up to now is 20.7 secs
Computing kpt #: 65
total cpu time spent up to now is 20.9 secs
Computing kpt #: 66
total cpu time spent up to now is 21.2 secs
Computing kpt #: 67
total cpu time spent up to now is 21.4 secs
Computing kpt #: 68
total cpu time spent up to now is 21.7 secs
Computing kpt #: 69
total cpu time spent up to now is 21.9 secs
Computing kpt #: 70
total cpu time spent up to now is 22.1 secs
Computing kpt #: 71
total cpu time spent up to now is 22.3 secs
Computing kpt #: 72
total cpu time spent up to now is 22.6 secs
Computing kpt #: 73
total cpu time spent up to now is 22.8 secs
Computing kpt #: 74
total cpu time spent up to now is 23.0 secs
Computing kpt #: 75
total cpu time spent up to now is 23.3 secs
Computing kpt #: 76
total cpu time spent up to now is 23.5 secs
Computing kpt #: 77
total cpu time spent up to now is 23.7 secs
Computing kpt #: 78
total cpu time spent up to now is 24.0 secs
Computing kpt #: 79
total cpu time spent up to now is 24.2 secs
Computing kpt #: 80
total cpu time spent up to now is 24.5 secs
Computing kpt #: 81
total cpu time spent up to now is 24.8 secs
Computing kpt #: 82
total cpu time spent up to now is 25.0 secs
Computing kpt #: 83
total cpu time spent up to now is 25.3 secs
Computing kpt #: 84
total cpu time spent up to now is 25.5 secs
Computing kpt #: 85
total cpu time spent up to now is 25.8 secs
Computing kpt #: 86
total cpu time spent up to now is 26.1 secs
Computing kpt #: 87
total cpu time spent up to now is 26.4 secs
Computing kpt #: 88
total cpu time spent up to now is 26.6 secs
Computing kpt #: 89
total cpu time spent up to now is 26.9 secs
Computing kpt #: 90
total cpu time spent up to now is 27.2 secs
Computing kpt #: 91
total cpu time spent up to now is 27.5 secs
Computing kpt #: 92
total cpu time spent up to now is 27.8 secs
Computing kpt #: 93
total cpu time spent up to now is 28.1 secs
Computing kpt #: 94
total cpu time spent up to now is 28.4 secs
Computing kpt #: 95
total cpu time spent up to now is 28.7 secs
Computing kpt #: 96
total cpu time spent up to now is 28.9 secs
Computing kpt #: 97
total cpu time spent up to now is 29.2 secs
Computing kpt #: 98
total cpu time spent up to now is 29.5 secs
Computing kpt #: 99
total cpu time spent up to now is 29.8 secs
Computing kpt #: 100
total cpu time spent up to now is 30.0 secs
Computing kpt #: 101
total cpu time spent up to now is 30.3 secs
Computing kpt #: 102
total cpu time spent up to now is 30.6 secs
Computing kpt #: 103
total cpu time spent up to now is 30.9 secs
Computing kpt #: 104
total cpu time spent up to now is 31.1 secs
Computing kpt #: 105
total cpu time spent up to now is 31.4 secs
Computing kpt #: 106
total cpu time spent up to now is 31.7 secs
Computing kpt #: 107
total cpu time spent up to now is 32.0 secs
Computing kpt #: 108
total cpu time spent up to now is 32.2 secs
Computing kpt #: 109
total cpu time spent up to now is 32.5 secs
Computing kpt #: 110
total cpu time spent up to now is 32.8 secs
Computing kpt #: 111
total cpu time spent up to now is 33.1 secs
Computing kpt #: 112
total cpu time spent up to now is 33.3 secs
Computing kpt #: 113
total cpu time spent up to now is 33.6 secs
Computing kpt #: 114
total cpu time spent up to now is 33.9 secs
Computing kpt #: 115
total cpu time spent up to now is 34.2 secs
Computing kpt #: 116
total cpu time spent up to now is 34.4 secs
Computing kpt #: 117
total cpu time spent up to now is 34.7 secs
Computing kpt #: 118
total cpu time spent up to now is 35.0 secs
Computing kpt #: 119
total cpu time spent up to now is 35.3 secs
Computing kpt #: 120
total cpu time spent up to now is 35.5 secs
Computing kpt #: 121
total cpu time spent up to now is 35.8 secs
Computing kpt #: 122
total cpu time spent up to now is 36.1 secs
Computing kpt #: 123
total cpu time spent up to now is 36.3 secs
Computing kpt #: 124
total cpu time spent up to now is 36.6 secs
Computing kpt #: 125
total cpu time spent up to now is 36.8 secs
Computing kpt #: 126
total cpu time spent up to now is 37.1 secs
Computing kpt #: 127
total cpu time spent up to now is 37.4 secs
Computing kpt #: 128
total cpu time spent up to now is 37.6 secs
Computing kpt #: 129
total cpu time spent up to now is 37.9 secs
Computing kpt #: 130
total cpu time spent up to now is 38.1 secs
Computing kpt #: 131
total cpu time spent up to now is 38.4 secs
Computing kpt #: 132
total cpu time spent up to now is 38.6 secs
Computing kpt #: 133
total cpu time spent up to now is 38.9 secs
Computing kpt #: 134
total cpu time spent up to now is 39.1 secs
Computing kpt #: 135
total cpu time spent up to now is 39.4 secs
Computing kpt #: 136
total cpu time spent up to now is 39.6 secs
Computing kpt #: 137
total cpu time spent up to now is 39.8 secs
Computing kpt #: 138
total cpu time spent up to now is 40.1 secs
Computing kpt #: 139
total cpu time spent up to now is 40.4 secs
Computing kpt #: 140
total cpu time spent up to now is 40.6 secs
Computing kpt #: 141
total cpu time spent up to now is 40.9 secs
Computing kpt #: 142
total cpu time spent up to now is 41.1 secs
Computing kpt #: 143
total cpu time spent up to now is 41.4 secs
Computing kpt #: 144
total cpu time spent up to now is 41.6 secs
Computing kpt #: 145
total cpu time spent up to now is 41.8 secs
Computing kpt #: 146
total cpu time spent up to now is 42.1 secs
Computing kpt #: 147
total cpu time spent up to now is 42.3 secs
Computing kpt #: 148
total cpu time spent up to now is 42.6 secs
Computing kpt #: 149
total cpu time spent up to now is 42.9 secs
Computing kpt #: 150
total cpu time spent up to now is 43.1 secs
Computing kpt #: 151
total cpu time spent up to now is 43.4 secs
Computing kpt #: 152
total cpu time spent up to now is 43.6 secs
Computing kpt #: 153
total cpu time spent up to now is 43.9 secs
Computing kpt #: 154
total cpu time spent up to now is 44.2 secs
Computing kpt #: 155
total cpu time spent up to now is 44.4 secs
Computing kpt #: 156
total cpu time spent up to now is 44.7 secs
Computing kpt #: 157
total cpu time spent up to now is 45.0 secs
Computing kpt #: 158
total cpu time spent up to now is 45.2 secs
Computing kpt #: 159
total cpu time spent up to now is 45.5 secs
Computing kpt #: 160
total cpu time spent up to now is 45.8 secs
Computing kpt #: 161
total cpu time spent up to now is 46.0 secs
Computing kpt #: 162
total cpu time spent up to now is 46.3 secs
Computing kpt #: 163
total cpu time spent up to now is 46.6 secs
Computing kpt #: 164
total cpu time spent up to now is 46.9 secs
Computing kpt #: 165
total cpu time spent up to now is 47.2 secs
Computing kpt #: 166
total cpu time spent up to now is 47.4 secs
Computing kpt #: 167
total cpu time spent up to now is 47.7 secs
Computing kpt #: 168
total cpu time spent up to now is 48.0 secs
Computing kpt #: 169
total cpu time spent up to now is 48.2 secs
Computing kpt #: 170
total cpu time spent up to now is 48.5 secs
Computing kpt #: 171
total cpu time spent up to now is 48.8 secs
Computing kpt #: 172
total cpu time spent up to now is 49.0 secs
Computing kpt #: 173
total cpu time spent up to now is 49.3 secs
Computing kpt #: 174
total cpu time spent up to now is 49.5 secs
Computing kpt #: 175
total cpu time spent up to now is 49.8 secs
Computing kpt #: 176
total cpu time spent up to now is 50.0 secs
Computing kpt #: 177
total cpu time spent up to now is 50.3 secs
Computing kpt #: 178
total cpu time spent up to now is 50.5 secs
Computing kpt #: 179
total cpu time spent up to now is 50.8 secs
Computing kpt #: 180
total cpu time spent up to now is 51.0 secs
Computing kpt #: 181
total cpu time spent up to now is 51.3 secs
Computing kpt #: 182
total cpu time spent up to now is 51.5 secs
Computing kpt #: 183
total cpu time spent up to now is 51.7 secs
Computing kpt #: 184
total cpu time spent up to now is 52.0 secs
Computing kpt #: 185
total cpu time spent up to now is 52.2 secs
Computing kpt #: 186
total cpu time spent up to now is 52.5 secs
Computing kpt #: 187
total cpu time spent up to now is 52.7 secs
Computing kpt #: 188
total cpu time spent up to now is 53.0 secs
Computing kpt #: 189
total cpu time spent up to now is 53.3 secs
Computing kpt #: 190
total cpu time spent up to now is 53.5 secs
Computing kpt #: 191
total cpu time spent up to now is 53.8 secs
Computing kpt #: 192
total cpu time spent up to now is 54.1 secs
Computing kpt #: 193
total cpu time spent up to now is 54.4 secs
Computing kpt #: 194
total cpu time spent up to now is 54.7 secs
Computing kpt #: 195
total cpu time spent up to now is 55.0 secs
Computing kpt #: 196
total cpu time spent up to now is 55.2 secs
Computing kpt #: 197
total cpu time spent up to now is 55.5 secs
Computing kpt #: 198
total cpu time spent up to now is 55.7 secs
Computing kpt #: 199
total cpu time spent up to now is 56.0 secs
Computing kpt #: 200
total cpu time spent up to now is 56.2 secs
Computing kpt #: 201
total cpu time spent up to now is 56.5 secs
Computing kpt #: 202
total cpu time spent up to now is 56.8 secs
Computing kpt #: 203
total cpu time spent up to now is 57.0 secs
Computing kpt #: 204
total cpu time spent up to now is 57.3 secs
Computing kpt #: 205
total cpu time spent up to now is 57.5 secs
Computing kpt #: 206
total cpu time spent up to now is 57.8 secs
Computing kpt #: 207
total cpu time spent up to now is 58.1 secs
Computing kpt #: 208
total cpu time spent up to now is 58.4 secs
Computing kpt #: 209
total cpu time spent up to now is 58.7 secs
Computing kpt #: 210
total cpu time spent up to now is 58.9 secs
Computing kpt #: 211
total cpu time spent up to now is 59.2 secs
Computing kpt #: 212
total cpu time spent up to now is 59.5 secs
Computing kpt #: 213
total cpu time spent up to now is 59.8 secs
Computing kpt #: 214
total cpu time spent up to now is 60.1 secs
Computing kpt #: 215
total cpu time spent up to now is 60.4 secs
Computing kpt #: 216
total cpu time spent up to now is 60.6 secs
Computing kpt #: 217
total cpu time spent up to now is 60.9 secs
Computing kpt #: 218
total cpu time spent up to now is 61.1 secs
Computing kpt #: 219
total cpu time spent up to now is 61.4 secs
Computing kpt #: 220
total cpu time spent up to now is 61.6 secs
Computing kpt #: 221
total cpu time spent up to now is 61.9 secs
Computing kpt #: 222
total cpu time spent up to now is 62.1 secs
Computing kpt #: 223
total cpu time spent up to now is 62.4 secs
Computing kpt #: 224
total cpu time spent up to now is 62.6 secs
Computing kpt #: 225
total cpu time spent up to now is 62.8 secs
Computing kpt #: 226
total cpu time spent up to now is 63.2 secs
Computing kpt #: 227
total cpu time spent up to now is 63.4 secs
Computing kpt #: 228
total cpu time spent up to now is 63.6 secs
Computing kpt #: 229
total cpu time spent up to now is 63.9 secs
Computing kpt #: 230
total cpu time spent up to now is 64.1 secs
Computing kpt #: 231
total cpu time spent up to now is 64.3 secs
Computing kpt #: 232
total cpu time spent up to now is 64.5 secs
Computing kpt #: 233
total cpu time spent up to now is 64.8 secs
Computing kpt #: 234
total cpu time spent up to now is 65.0 secs
Computing kpt #: 235
total cpu time spent up to now is 65.3 secs
Computing kpt #: 236
total cpu time spent up to now is 65.5 secs
Computing kpt #: 237
total cpu time spent up to now is 65.8 secs
Computing kpt #: 238
total cpu time spent up to now is 66.0 secs
Computing kpt #: 239
total cpu time spent up to now is 66.3 secs
Computing kpt #: 240
total cpu time spent up to now is 66.5 secs
Computing kpt #: 241
total cpu time spent up to now is 66.8 secs
Computing kpt #: 242
total cpu time spent up to now is 67.1 secs
Computing kpt #: 243
total cpu time spent up to now is 67.4 secs
Computing kpt #: 244
total cpu time spent up to now is 67.7 secs
Computing kpt #: 245
total cpu time spent up to now is 67.9 secs
Computing kpt #: 246
total cpu time spent up to now is 68.2 secs
Computing kpt #: 247
total cpu time spent up to now is 68.5 secs
Computing kpt #: 248
total cpu time spent up to now is 68.8 secs
Computing kpt #: 249
total cpu time spent up to now is 69.1 secs
Computing kpt #: 250
total cpu time spent up to now is 69.4 secs
Computing kpt #: 251
total cpu time spent up to now is 69.7 secs
Computing kpt #: 252
total cpu time spent up to now is 70.0 secs
Computing kpt #: 253
total cpu time spent up to now is 70.2 secs
Computing kpt #: 254
total cpu time spent up to now is 70.5 secs
Computing kpt #: 255
total cpu time spent up to now is 70.8 secs
Computing kpt #: 256
total cpu time spent up to now is 71.0 secs
Computing kpt #: 257
total cpu time spent up to now is 71.3 secs
Computing kpt #: 258
total cpu time spent up to now is 71.5 secs
Computing kpt #: 259
total cpu time spent up to now is 71.8 secs
Computing kpt #: 260
total cpu time spent up to now is 72.0 secs
Computing kpt #: 261
total cpu time spent up to now is 72.2 secs
Computing kpt #: 262
total cpu time spent up to now is 72.5 secs
Computing kpt #: 263
total cpu time spent up to now is 72.7 secs
Computing kpt #: 264
total cpu time spent up to now is 73.0 secs
Computing kpt #: 265
total cpu time spent up to now is 73.2 secs
Computing kpt #: 266
total cpu time spent up to now is 73.4 secs
Computing kpt #: 267
total cpu time spent up to now is 73.7 secs
Computing kpt #: 268
total cpu time spent up to now is 73.9 secs
Computing kpt #: 269
total cpu time spent up to now is 74.2 secs
Computing kpt #: 270
total cpu time spent up to now is 74.4 secs
Computing kpt #: 271
total cpu time spent up to now is 74.7 secs
Computing kpt #: 272
total cpu time spent up to now is 75.0 secs
Computing kpt #: 273
total cpu time spent up to now is 75.3 secs
Computing kpt #: 274
total cpu time spent up to now is 75.5 secs
Computing kpt #: 275
total cpu time spent up to now is 75.8 secs
Computing kpt #: 276
total cpu time spent up to now is 76.1 secs
Computing kpt #: 277
total cpu time spent up to now is 76.4 secs
Computing kpt #: 278
total cpu time spent up to now is 76.7 secs
Computing kpt #: 279
total cpu time spent up to now is 76.9 secs
Computing kpt #: 280
total cpu time spent up to now is 77.2 secs
Computing kpt #: 281
total cpu time spent up to now is 77.5 secs
Computing kpt #: 282
total cpu time spent up to now is 77.7 secs
Computing kpt #: 283
total cpu time spent up to now is 78.0 secs
Computing kpt #: 284
total cpu time spent up to now is 78.2 secs
Computing kpt #: 285
total cpu time spent up to now is 78.5 secs
Computing kpt #: 286
total cpu time spent up to now is 78.7 secs
Computing kpt #: 287
total cpu time spent up to now is 79.0 secs
Computing kpt #: 288
total cpu time spent up to now is 79.3 secs
Computing kpt #: 289
total cpu time spent up to now is 79.6 secs
Computing kpt #: 290
total cpu time spent up to now is 79.8 secs
Computing kpt #: 291
total cpu time spent up to now is 80.1 secs
Computing kpt #: 292
total cpu time spent up to now is 80.4 secs
Computing kpt #: 293
total cpu time spent up to now is 80.7 secs
Computing kpt #: 294
total cpu time spent up to now is 81.0 secs
Computing kpt #: 295
total cpu time spent up to now is 81.3 secs
Computing kpt #: 296
total cpu time spent up to now is 81.6 secs
Computing kpt #: 297
total cpu time spent up to now is 81.9 secs
Computing kpt #: 298
total cpu time spent up to now is 82.2 secs
Computing kpt #: 299
total cpu time spent up to now is 82.5 secs
Computing kpt #: 300
total cpu time spent up to now is 82.8 secs
Computing kpt #: 301
total cpu time spent up to now is 83.1 secs
Computing kpt #: 302
total cpu time spent up to now is 83.4 secs
Computing kpt #: 303
total cpu time spent up to now is 83.7 secs
Computing kpt #: 304
total cpu time spent up to now is 84.0 secs
Computing kpt #: 305
total cpu time spent up to now is 84.3 secs
Computing kpt #: 306
total cpu time spent up to now is 84.6 secs
Computing kpt #: 307
total cpu time spent up to now is 85.0 secs
Computing kpt #: 308
total cpu time spent up to now is 85.3 secs
Computing kpt #: 309
total cpu time spent up to now is 85.7 secs
Computing kpt #: 310
total cpu time spent up to now is 86.1 secs
ethr = 2.94E-08, avg # of iterations = 14.0
total cpu time spent up to now is 86.1 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 4111 PWs) bands (ev):
-69.4088 -69.4088 -69.4077 -69.4077 -36.3514 -36.3514 -36.3456 -36.3456
-36.0635 -36.0635 -36.0635 -36.0635 -36.0574 -36.0574 -36.0574 -36.0574
-10.6811 -10.6811 -10.6811 -10.6811 -8.1728 -8.1728 -8.1231 -8.1231
-8.1231 -8.1231 -2.6599 -2.6599 6.2542 6.2542 7.5801 7.5801
7.8991 7.8991 7.8991 7.8991 9.6344 9.6344 9.6344 9.6344
9.7132 9.7132
k = 0.0109-0.0063 0.0089 ( 4111 PWs) bands (ev):
-69.4088 -69.4088 -69.4077 -69.4077 -36.3514 -36.3514 -36.3456 -36.3456
-36.0635 -36.0635 -36.0634 -36.0634 -36.0574 -36.0574 -36.0574 -36.0574
-10.6811 -10.6811 -10.6811 -10.6811 -8.1728 -8.1728 -8.1231 -8.1231
-8.1231 -8.1231 -2.6588 -2.6588 6.2467 6.2467 7.5399 7.5399
7.8907 7.8907 7.9427 7.9427 9.6296 9.6296 9.6416 9.6416
9.7176 9.7176
k = 0.0217-0.0126 0.0177 ( 4111 PWs) bands (ev):
-69.4088 -69.4088 -69.4077 -69.4077 -36.3514 -36.3514 -36.3456 -36.3456
-36.0635 -36.0635 -36.0634 -36.0634 -36.0574 -36.0574 -36.0574 -36.0574
-10.6811 -10.6811 -10.6810 -10.6810 -8.1727 -8.1727 -8.1231 -8.1231
-8.1231 -8.1231 -2.6554 -2.6554 6.2242 6.2242 7.4534 7.4534
7.8658 7.8658 8.0391 8.0391 9.6073 9.6073 9.6628 9.6628
9.7395 9.7395
k = 0.0326-0.0188 0.0266 ( 4111 PWs) bands (ev):
-69.4088 -69.4088 -69.4077 -69.4077 -36.3515 -36.3515 -36.3456 -36.3456
-36.0635 -36.0635 -36.0635 -36.0635 -36.0574 -36.0574 -36.0574 -36.0574
-10.6810 -10.6810 -10.6810 -10.6810 -8.1726 -8.1726 -8.1231 -8.1231
-8.1230 -8.1230 -2.6498 -2.6498 6.1875 6.1875 7.3536 7.3536
7.8261 7.8261 8.1552 8.1552 9.5633 9.5633 9.6976 9.6976
9.7842 9.7842
k = 0.0435-0.0251 0.0355 ( 4119 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0635 -36.0635 -36.0635 -36.0635 -36.0574 -36.0574 -36.0574 -36.0574
-10.6811 -10.6811 -10.6810 -10.6810 -8.1726 -8.1726 -8.1231 -8.1231
-8.1230 -8.1230 -2.6420 -2.6420 6.1376 6.1376 7.2510 7.2510
7.7740 7.7740 8.2798 8.2798 9.5034 9.5034 9.7452 9.7452
9.8480 9.8480
k = 0.0543-0.0314 0.0444 ( 4135 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0636 -36.0636 -36.0635 -36.0635 -36.0574 -36.0574 -36.0573 -36.0573
-10.6812 -10.6812 -10.6811 -10.6811 -8.1727 -8.1727 -8.1231 -8.1231
-8.1230 -8.1230 -2.6321 -2.6321 6.0758 6.0758 7.1490 7.1490
7.7118 7.7118 8.4088 8.4088 9.4329 9.4329 9.8046 9.8046
9.9270 9.9270
k = 0.0652-0.0377 0.0532 ( 4135 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0636 -36.0636 -36.0635 -36.0635 -36.0575 -36.0575 -36.0573 -36.0573
-10.6811 -10.6811 -10.6810 -10.6810 -8.1725 -8.1725 -8.1231 -8.1231
-8.1229 -8.1229 -2.6199 -2.6199 6.0035 6.0035 7.0488 7.0488
7.6418 7.6418 8.5403 8.5403 9.3554 9.3554 9.8749 9.8749
10.0183 10.0183
k = 0.0761-0.0439 0.0621 ( 4135 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0636 -36.0636 -36.0634 -36.0634 -36.0576 -36.0576 -36.0573 -36.0573
-10.6811 -10.6811 -10.6809 -10.6809 -8.1724 -8.1724 -8.1230 -8.1230
-8.1228 -8.1228 -2.6055 -2.6055 5.9223 5.9223 6.9507 6.9507
7.5661 7.5661 8.6726 8.6726 9.2734 9.2734 9.9546 9.9546
10.1194 10.1194
k = 0.0870-0.0502 0.0710 ( 4135 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0637 -36.0637 -36.0633 -36.0633 -36.0576 -36.0576 -36.0573 -36.0573
-10.6811 -10.6811 -10.6808 -10.6808 -8.1721 -8.1721 -8.1229 -8.1229
-8.1227 -8.1227 -2.5890 -2.5890 5.8335 5.8335 6.8548 6.8548
7.4863 7.4863 8.8042 8.8042 9.1888 9.1888 10.0423 10.0423
10.2285 10.2285
k = 0.0978-0.0565 0.0799 ( 4135 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3514 -36.3514 -36.3457 -36.3457
-36.0637 -36.0637 -36.0632 -36.0632 -36.0577 -36.0577 -36.0572 -36.0572
-10.6810 -10.6810 -10.6806 -10.6806 -8.1719 -8.1719 -8.1229 -8.1229
-8.1226 -8.1226 -2.5704 -2.5704 5.7386 5.7386 6.7611 6.7611
7.4037 7.4037 8.9336 8.9336 9.1028 9.1028 10.1366 10.1366
10.3442 10.3442
k = 0.1087-0.0628 0.0887 ( 4132 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3514 -36.3514 -36.3457 -36.3457
-36.0637 -36.0637 -36.0631 -36.0631 -36.0578 -36.0578 -36.0572 -36.0572
-10.6810 -10.6810 -10.6804 -10.6804 -8.1716 -8.1716 -8.1227 -8.1227
-8.1224 -8.1224 -2.5496 -2.5496 5.6387 5.6387 6.6694 6.6694
7.3193 7.3193 9.0163 9.0163 9.0584 9.0584 10.2353 10.2353
10.4651 10.4651
k = 0.1196-0.0690 0.0976 ( 4120 PWs) bands (ev):
-69.4087 -69.4087 -69.4078 -69.4078 -36.3513 -36.3513 -36.3457 -36.3457
-36.0637 -36.0637 -36.0630 -36.0630 -36.0579 -36.0579 -36.0572 -36.0572
-10.6809 -10.6809 -10.6801 -10.6801 -8.1713 -8.1713 -8.1225 -8.1225
-8.1222 -8.1222 -2.5268 -2.5268 5.5349 5.5349 6.5798 6.5798
7.2341 7.2341 8.9301 8.9301 9.1754 9.1754 10.3350 10.3350
10.5903 10.5903
k = 0.1304-0.0753 0.1065 ( 4112 PWs) bands (ev):
-69.4087 -69.4087 -69.4078 -69.4078 -36.3513 -36.3513 -36.3458 -36.3458
-36.0637 -36.0637 -36.0628 -36.0628 -36.0580 -36.0580 -36.0572 -36.0572
-10.6808 -10.6808 -10.6798 -10.6798 -8.1709 -8.1709 -8.1223 -8.1223
-8.1220 -8.1220 -2.5020 -2.5020 5.4282 5.4282 6.4921 6.4921
7.1487 7.1487 8.8447 8.8447 9.2801 9.2801 10.4297 10.4297
10.7189 10.7189
k = 0.1413-0.0816 0.1154 ( 4112 PWs) bands (ev):
-69.4087 -69.4087 -69.4078 -69.4078 -36.3512 -36.3512 -36.3458 -36.3458
-36.0637 -36.0637 -36.0627 -36.0627 -36.0581 -36.0581 -36.0572 -36.0572
-10.6807 -10.6807 -10.6796 -10.6796 -8.1706 -8.1706 -8.1222 -8.1222
-8.1218 -8.1218 -2.4752 -2.4752 5.3192 5.3192 6.4063 6.4063
7.0636 7.0636 8.7603 8.7603 9.3659 9.3659 10.5079 10.5079
10.8502 10.8502
k = 0.1522-0.0879 0.1242 ( 4104 PWs) bands (ev):
-69.4087 -69.4087 -69.4078 -69.4078 -36.3511 -36.3511 -36.3459 -36.3459
-36.0637 -36.0637 -36.0626 -36.0626 -36.0583 -36.0583 -36.0571 -36.0571
-10.6806 -10.6806 -10.6794 -10.6794 -8.1702 -8.1702 -8.1221 -8.1221
-8.1215 -8.1215 -2.4464 -2.4464 5.2085 5.2085 6.3224 6.3224
6.9792 6.9792 8.6774 8.6774 9.4246 9.4246 10.5580 10.5580
10.9556 10.9556
k = 0.1630-0.0941 0.1331 ( 4104 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3511 -36.3511 -36.3459 -36.3459
-36.0637 -36.0637 -36.0625 -36.0625 -36.0584 -36.0584 -36.0571 -36.0571
-10.6805 -10.6805 -10.6792 -10.6792 -8.1699 -8.1699 -8.1220 -8.1220
-8.1212 -8.1212 -2.4158 -2.4158 5.0968 5.0968 6.2404 6.2404
6.8960 6.8960 8.5961 8.5961 9.4480 9.4480 10.5908 10.5908
11.0260 11.0260
k = 0.1739-0.1004 0.1420 ( 4100 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3510 -36.3510 -36.3460 -36.3460
-36.0638 -36.0638 -36.0623 -36.0623 -36.0585 -36.0585 -36.0570 -36.0570
-10.6804 -10.6804 -10.6790 -10.6790 -8.1694 -8.1694 -8.1219 -8.1219
-8.1209 -8.1209 -2.3834 -2.3834 4.9844 4.9844 6.1604 6.1604
6.8141 6.8141 8.5167 8.5167 9.4331 9.4331 10.6335 10.6335
11.1330 11.1330
k = 0.1848-0.1067 0.1509 ( 4096 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3510 -36.3510 -36.3460 -36.3460
-36.0638 -36.0638 -36.0621 -36.0621 -36.0587 -36.0587 -36.0570 -36.0570
-10.6803 -10.6803 -10.6787 -10.6787 -8.1691 -8.1691 -8.1218 -8.1218
-8.1206 -8.1206 -2.3492 -2.3492 4.8717 4.8717 6.0825 6.0825
6.7338 6.7338 8.4393 8.4393 9.3837 9.3837 10.6995 10.6995
11.2589 11.2589
k = 0.1957-0.1130 0.1597 ( 4108 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3509 -36.3509 -36.3461 -36.3461
-36.0638 -36.0638 -36.0620 -36.0620 -36.0589 -36.0589 -36.0570 -36.0570
-10.6802 -10.6802 -10.6786 -10.6786 -8.1688 -8.1688 -8.1218 -8.1218
-8.1204 -8.1204 -2.3133 -2.3133 4.7591 4.7591 6.0065 6.0065
6.6552 6.6552 8.3639 8.3639 9.3083 9.3083 10.7877 10.7877
11.3957 11.3957
k = 0.2065-0.1192 0.1686 ( 4108 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3509 -36.3509 -36.3462 -36.3462
-36.0638 -36.0638 -36.0619 -36.0619 -36.0590 -36.0590 -36.0570 -36.0570
-10.6802 -10.6802 -10.6784 -10.6784 -8.1684 -8.1684 -8.1216 -8.1216
-8.1201 -8.1201 -2.2758 -2.2758 4.6467 4.6467 5.9328 5.9328
6.5787 6.5787 8.2908 8.2908 9.2159 9.2159 10.8927 10.8927
11.5396 11.5396
k = 0.2174-0.1255 0.1775 ( 4100 PWs) bands (ev):
-69.4086 -69.4086 -69.4079 -69.4079 -36.3508 -36.3508 -36.3462 -36.3462
-36.0638 -36.0638 -36.0617 -36.0617 -36.0592 -36.0592 -36.0569 -36.0569
-10.6800 -10.6800 -10.6781 -10.6781 -8.1680 -8.1680 -8.1215 -8.1215
-8.1197 -8.1197 -2.2368 -2.2368 4.5349 4.5349 5.8612 5.8612
6.5042 6.5042 8.2200 8.2200 9.1135 9.1135 11.0090 11.0090
11.6888 11.6888
k = 0.2283-0.1318 0.1864 ( 4100 PWs) bands (ev):
-69.4086 -69.4086 -69.4079 -69.4079 -36.3507 -36.3507 -36.3463 -36.3463
-36.0638 -36.0638 -36.0615 -36.0615 -36.0594 -36.0594 -36.0569 -36.0569
-10.6799 -10.6799 -10.6779 -10.6779 -8.1677 -8.1677 -8.1214 -8.1214
-8.1194 -8.1194 -2.1965 -2.1965 4.4238 4.4238 5.7918 5.7918
6.4320 6.4320 8.1516 8.1516 9.0057 9.0057 11.1324 11.1324
11.8423 11.8423
k = 0.2391-0.1381 0.1952 ( 4088 PWs) bands (ev):
-69.4086 -69.4086 -69.4079 -69.4079 -36.3506 -36.3506 -36.3464 -36.3464
-36.0638 -36.0638 -36.0613 -36.0613 -36.0595 -36.0595 -36.0569 -36.0569
-10.6798 -10.6798 -10.6774 -10.6774 -8.1673 -8.1673 -8.1210 -8.1210
-8.1190 -8.1190 -2.1548 -2.1548 4.3137 4.3137 5.7248 5.7248
6.3620 6.3620 8.0855 8.0855 8.8959 8.8959 11.2603 11.2603
11.9993 11.9993
k = 0.2500-0.1443 0.2041 ( 4088 PWs) bands (ev):
-69.4086 -69.4086 -69.4079 -69.4079 -36.3505 -36.3505 -36.3465 -36.3465
-36.0639 -36.0639 -36.0611 -36.0611 -36.0597 -36.0597 -36.0569 -36.0569
-10.6797 -10.6797 -10.6772 -10.6772 -8.1670 -8.1670 -8.1209 -8.1209
-8.1187 -8.1187 -2.1119 -2.1119 4.2048 4.2048 5.6601 5.6601
6.2945 6.2945 8.0220 8.0220 8.7860 8.7860 11.3907 11.3907
12.1593 12.1593
k = 0.2609-0.1506 0.2130 ( 4088 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3505 -36.3505 -36.3465 -36.3465
-36.0639 -36.0639 -36.0610 -36.0610 -36.0598 -36.0598 -36.0569 -36.0569
-10.6796 -10.6796 -10.6769 -10.6769 -8.1666 -8.1666 -8.1208 -8.1208
-8.1183 -8.1183 -2.0680 -2.0680 4.0972 4.0972 5.5978 5.5978
6.2294 6.2294 7.9609 7.9609 8.6776 8.6776 11.5222 11.5222
12.3220 12.3220
k = 0.2717-0.1569 0.2219 ( 4096 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3504 -36.3504 -36.3466 -36.3466
-36.0639 -36.0639 -36.0608 -36.0608 -36.0600 -36.0600 -36.0569 -36.0569
-10.6796 -10.6796 -10.6768 -10.6768 -8.1664 -8.1664 -8.1207 -8.1207
-8.1180 -8.1180 -2.0232 -2.0232 3.9912 3.9912 5.5380 5.5380
6.1669 6.1669 7.9023 7.9023 8.5716 8.5716 11.6541 11.6541
12.4661 12.4661
k = 0.2826-0.1632 0.2307 ( 4112 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3503 -36.3503 -36.3467 -36.3467
-36.0639 -36.0639 -36.0607 -36.0607 -36.0602 -36.0602 -36.0569 -36.0569
-10.6796 -10.6796 -10.6766 -10.6766 -8.1662 -8.1662 -8.1206 -8.1206
-8.1177 -8.1177 -1.9776 -1.9776 3.8871 3.8871 5.4807 5.4807
6.1070 6.1070 7.8463 7.8463 8.4688 8.4688 11.7856 11.7856
12.5951 12.5951
k = 0.2935-0.1694 0.2396 ( 4112 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3503 -36.3503 -36.3468 -36.3468
-36.0640 -36.0640 -36.0605 -36.0605 -36.0604 -36.0604 -36.0569 -36.0569
-10.6796 -10.6796 -10.6764 -10.6764 -8.1659 -8.1659 -8.1205 -8.1205
-8.1173 -8.1173 -1.9315 -1.9315 3.7849 3.7849 5.4259 5.4259
6.0497 6.0497 7.7930 7.7930 8.3697 8.3697 11.9166 11.9166
12.7230 12.7230
k = 0.3043-0.1757 0.2485 ( 4100 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3502 -36.3502 -36.3469 -36.3469
-36.0640 -36.0640 -36.0605 -36.0605 -36.0603 -36.0603 -36.0568 -36.0568
-10.6794 -10.6794 -10.6761 -10.6761 -8.1655 -8.1655 -8.1203 -8.1203
-8.1169 -8.1169 -1.8850 -1.8850 3.6849 3.6849 5.3738 5.3738
5.9952 5.9952 7.7422 7.7422 8.2748 8.2748 12.0465 12.0465
12.8497 12.8497
k = 0.3152-0.1820 0.2574 ( 4100 PWs) bands (ev):
-69.4085 -69.4085 -69.4080 -69.4080 -36.3501 -36.3501 -36.3469 -36.3469
-36.0640 -36.0640 -36.0607 -36.0607 -36.0602 -36.0602 -36.0568 -36.0568
-10.6793 -10.6793 -10.6758 -10.6758 -8.1652 -8.1652 -8.1202 -8.1202
-8.1165 -8.1165 -1.8384 -1.8384 3.5875 3.5875 5.3242 5.3242
5.9434 5.9434 7.6941 7.6941 8.1841 8.1841 12.1752 12.1752
12.9753 12.9753
k = 0.3261-0.1883 0.2662 ( 4092 PWs) bands (ev):
-69.4085 -69.4085 -69.4080 -69.4080 -36.3501 -36.3501 -36.3470 -36.3470
-36.0640 -36.0640 -36.0608 -36.0608 -36.0600 -36.0600 -36.0568 -36.0568
-10.6792 -10.6792 -10.6755 -10.6755 -8.1649 -8.1649 -8.1200 -8.1200
-8.1161 -8.1161 -1.7918 -1.7918 3.4928 3.4928 5.2774 5.2774
5.8944 5.8944 7.6487 7.6487 8.0982 8.0982 12.3026 12.3026
13.1000 13.1000
k = 0.3370-0.1945 0.2751 ( 4092 PWs) bands (ev):
-69.4085 -69.4085 -69.4080 -69.4080 -36.3500 -36.3500 -36.3470 -36.3470
-36.0640 -36.0640 -36.0609 -36.0609 -36.0599 -36.0599 -36.0568 -36.0568
-10.6791 -10.6791 -10.6753 -10.6753 -8.1647 -8.1647 -8.1199 -8.1199
-8.1158 -8.1158 -1.7456 -1.7456 3.4011 3.4011 5.2332 5.2332
5.8482 5.8482 7.6059 7.6059 8.0169 8.0169 12.4285 12.4285
13.2239 13.2239
k = 0.3478-0.2008 0.2840 ( 4104 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3500 -36.3500 -36.3471 -36.3471
-36.0640 -36.0640 -36.0611 -36.0611 -36.0597 -36.0597 -36.0568 -36.0568
-10.6791 -10.6791 -10.6752 -10.6752 -8.1645 -8.1645 -8.1199 -8.1199
-8.1155 -8.1155 -1.7000 -1.7000 3.3128 3.3128 5.1917 5.1917
5.8049 5.8049 7.5659 7.5659 7.9406 7.9406 12.5527 12.5527
13.3470 13.3470
k = 0.3587-0.2071 0.2929 ( 4104 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3499 -36.3499 -36.3472 -36.3472
-36.0640 -36.0640 -36.0612 -36.0612 -36.0596 -36.0596 -36.0568 -36.0568
-10.6791 -10.6791 -10.6750 -10.6750 -8.1643 -8.1643 -8.1198 -8.1198
-8.1152 -8.1152 -1.6552 -1.6552 3.2281 3.2281 5.1530 5.1530
5.7644 5.7644 7.5285 7.5285 7.8693 7.8693 12.6753 12.6753
13.4698 13.4698
k = 0.3696-0.2134 0.3017 ( 4104 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3498 -36.3498 -36.3473 -36.3473
-36.0641 -36.0641 -36.0614 -36.0614 -36.0595 -36.0595 -36.0567 -36.0567
-10.6790 -10.6790 -10.6748 -10.6748 -8.1641 -8.1641 -8.1197 -8.1197
-8.1148 -8.1148 -1.6117 -1.6117 3.1475 3.1475 5.1171 5.1171
5.7268 5.7268 7.4939 7.4939 7.8031 7.8031 12.7959 12.7959
13.5920 13.5920
k = 0.3804-0.2196 0.3106 ( 4108 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3498 -36.3498 -36.3473 -36.3473
-36.0641 -36.0641 -36.0615 -36.0615 -36.0593 -36.0593 -36.0567 -36.0567
-10.6790 -10.6790 -10.6746 -10.6746 -8.1640 -8.1640 -8.1196 -8.1196
-8.1145 -8.1145 -1.5697 -1.5697 3.0712 3.0712 5.0840 5.0840
5.6922 5.6922 7.4620 7.4620 7.7420 7.7420 12.9142 12.9142
13.7139 13.7139
k = 0.3913-0.2259 0.3195 ( 4108 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3498 -36.3498 -36.3474 -36.3474
-36.0641 -36.0641 -36.0616 -36.0616 -36.0592 -36.0592 -36.0567 -36.0567
-10.6790 -10.6790 -10.6745 -10.6745 -8.1638 -8.1638 -8.1195 -8.1195
-8.1143 -8.1143 -1.5296 -1.5296 2.9997 2.9997 5.0536 5.0536
5.6605 5.6605 7.4329 7.4329 7.6862 7.6862 13.0299 13.0299
13.8354 13.8354
k = 0.4022-0.2322 0.3284 ( 4108 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3497 -36.3497 -36.3474 -36.3474
-36.0641 -36.0641 -36.0617 -36.0617 -36.0591 -36.0591 -36.0567 -36.0567
-10.6789 -10.6789 -10.6743 -10.6743 -8.1637 -8.1637 -8.1194 -8.1194
-8.1140 -8.1140 -1.4917 -1.4917 2.9333 2.9333 5.0262 5.0262
5.6318 5.6318 7.4065 7.4065 7.6356 7.6356 13.1424 13.1424
13.9564 13.9564
k = 0.4130-0.2385 0.3372 ( 4108 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3497 -36.3497 -36.3474 -36.3474
-36.0641 -36.0641 -36.0618 -36.0618 -36.0590 -36.0590 -36.0567 -36.0567
-10.6789 -10.6789 -10.6742 -10.6742 -8.1636 -8.1636 -8.1194 -8.1194
-8.1137 -8.1137 -1.4565 -1.4565 2.8724 2.8724 5.0015 5.0015
5.6061 5.6061 7.3828 7.3828 7.5903 7.5903 13.2511 13.2511
14.0766 14.0766
k = 0.4239-0.2447 0.3461 ( 4108 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3496 -36.3496 -36.3475 -36.3475
-36.0641 -36.0641 -36.0619 -36.0619 -36.0590 -36.0590 -36.0567 -36.0567
-10.6789 -10.6789 -10.6740 -10.6740 -8.1635 -8.1635 -8.1192 -8.1192
-8.1135 -8.1135 -1.4242 -1.4242 2.8176 2.8176 4.9798 4.9798
5.5833 5.5833 7.3620 7.3620 7.5503 7.5503 13.3548 13.3548
14.1954 14.1954
k = 0.4348-0.2510 0.3550 ( 4116 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3496 -36.3496 -36.3475 -36.3475
-36.0641 -36.0641 -36.0620 -36.0620 -36.0589 -36.0589 -36.0567 -36.0567
-10.6789 -10.6789 -10.6740 -10.6740 -8.1634 -8.1634 -8.1193 -8.1193
-8.1133 -8.1133 -1.3954 -1.3954 2.7690 2.7690 4.9609 4.9609
5.5636 5.5636 7.3439 7.3439 7.5156 7.5156 13.4523 13.4523
14.3118 14.3118
k = 0.4457-0.2573 0.3639 ( 4128 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3496 -36.3496 -36.3476 -36.3476
-36.0642 -36.0642 -36.0621 -36.0621 -36.0589 -36.0589 -36.0567 -36.0567
-10.6789 -10.6789 -10.6741 -10.6741 -8.1633 -8.1633 -8.1195 -8.1195
-8.1132 -8.1132 -1.3703 -1.3703 2.7272 2.7272 4.9449 4.9449
5.5469 5.5469 7.3285 7.3285 7.4862 7.4862 13.5418 13.5418
14.4018 14.4018
k = 0.4565-0.2636 0.3727 ( 4128 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3496 -36.3496 -36.3476 -36.3476
-36.0642 -36.0642 -36.0621 -36.0621 -36.0588 -36.0588 -36.0567 -36.0567
-10.6788 -10.6788 -10.6740 -10.6740 -8.1633 -8.1633 -8.1194 -8.1194
-8.1131 -8.1131 -1.3492 -1.3492 2.6925 2.6925 4.9318 4.9318
5.5332 5.5332 7.3160 7.3160 7.4622 7.4622 13.6211 13.6211
14.4304 14.4304
k = 0.4674-0.2698 0.3816 ( 4120 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3496 -36.3496 -36.3476 -36.3476
-36.0641 -36.0641 -36.0622 -36.0622 -36.0588 -36.0588 -36.0567 -36.0567
-10.6787 -10.6787 -10.6739 -10.6739 -8.1632 -8.1632 -8.1194 -8.1194
-8.1129 -8.1129 -1.3325 -1.3325 2.6651 2.6651 4.9216 4.9216
5.5226 5.5226 7.3062 7.3062 7.4435 7.4435 13.6874 13.6874
14.4520 14.4520
k = 0.4783-0.2761 0.3905 ( 4120 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3496 -36.3496 -36.3476 -36.3476
-36.0641 -36.0641 -36.0622 -36.0622 -36.0588 -36.0588 -36.0567 -36.0567
-10.6787 -10.6787 -10.6739 -10.6739 -8.1632 -8.1632 -8.1193 -8.1193
-8.1128 -8.1128 -1.3204 -1.3204 2.6454 2.6454 4.9143 4.9143
5.5150 5.5150 7.2992 7.2992 7.4302 7.4302 13.7379 13.7379
14.4677 14.4677
k = 0.4891-0.2824 0.3994 ( 4124 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3495 -36.3495 -36.3477 -36.3477
-36.0641 -36.0641 -36.0622 -36.0622 -36.0587 -36.0587 -36.0567 -36.0567
-10.6788 -10.6788 -10.6739 -10.6739 -8.1632 -8.1632 -8.1193 -8.1193
-8.1128 -8.1128 -1.3130 -1.3130 2.6334 2.6334 4.9100 4.9100
5.5104 5.5104 7.2950 7.2950 7.4221 7.4221 13.7696 13.7696
14.4772 14.4772
k = 0.5000-0.2887 0.4082 ( 4136 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3495 -36.3495 -36.3477 -36.3477
-36.0641 -36.0641 -36.0623 -36.0623 -36.0587 -36.0587 -36.0567 -36.0567
-10.6788 -10.6788 -10.6740 -10.6740 -8.1632 -8.1632 -8.1194 -8.1194
-8.1128 -8.1128 -1.3106 -1.3106 2.6294 2.6294 4.9085 4.9085
5.5089 5.5089 7.2936 7.2936 7.4194 7.4194 13.7804 13.7804
14.4804 14.4804
k = 0.5000-0.2887 0.4082 ( 4136 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3495 -36.3495 -36.3477 -36.3477
-36.0641 -36.0641 -36.0623 -36.0623 -36.0587 -36.0587 -36.0567 -36.0567
-10.6788 -10.6788 -10.6740 -10.6740 -8.1632 -8.1632 -8.1194 -8.1194
-8.1128 -8.1128 -1.3106 -1.3106 2.6294 2.6294 4.9085 4.9085
5.5089 5.5089 7.2936 7.2936 7.4194 7.4194 13.7804 13.7804
14.4804 14.4804
k = 0.5000-0.2761 0.4171 ( 4134 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3495 -36.3495 -36.3477 -36.3477
-36.0642 -36.0642 -36.0623 -36.0623 -36.0587 -36.0587 -36.0567 -36.0567
-10.6788 -10.6788 -10.6740 -10.6740 -8.1632 -8.1632 -8.1194 -8.1194
-8.1128 -8.1128 -1.3105 -1.3105 2.6310 2.6310 4.9035 4.9035
5.5014 5.5014 7.3049 7.3049 7.4274 7.4274 13.7700 13.7700
14.4576 14.4576
k = 0.5000-0.2636 0.4260 ( 4134 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3496 -36.3496 -36.3477 -36.3477
-36.0642 -36.0642 -36.0622 -36.0622 -36.0587 -36.0587 -36.0567 -36.0567
-10.6788 -10.6788 -10.6740 -10.6740 -8.1632 -8.1632 -8.1194 -8.1194
-8.1129 -8.1129 -1.3103 -1.3103 2.6355 2.6355 4.8888 4.8888
5.4797 5.4797 7.3381 7.3381 7.4513 7.4513 13.7375 13.7375
14.3917 14.3917
k = 0.5000-0.2510 0.4349 ( 4136 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3496 -36.3496 -36.3477 -36.3477
-36.0642 -36.0642 -36.0622 -36.0622 -36.0587 -36.0587 -36.0567 -36.0567
-10.6788 -10.6788 -10.6740 -10.6740 -8.1631 -8.1631 -8.1194 -8.1194
-8.1130 -8.1130 -1.3099 -1.3099 2.6431 2.6431 4.8647 4.8647
5.4457 5.4457 7.3909 7.3909 7.4909 7.4909 13.6802 13.6802
14.2898 14.2898
k = 0.5000-0.2385 0.4437 ( 4136 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3496 -36.3496 -36.3477 -36.3477
-36.0641 -36.0641 -36.0622 -36.0622 -36.0587 -36.0587 -36.0568 -36.0568
-10.6788 -10.6788 -10.6740 -10.6740 -8.1631 -8.1631 -8.1194 -8.1194
-8.1131 -8.1131 -1.3095 -1.3095 2.6538 2.6538 4.8318 4.8318
5.4019 5.4019 7.4603 7.4603 7.5463 7.5463 13.5951 13.5951
14.1593 14.1593
k = 0.5000-0.2259 0.4526 ( 4136 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3495 -36.3495 -36.3477 -36.3477
-36.0641 -36.0641 -36.0622 -36.0622 -36.0587 -36.0587 -36.0568 -36.0568
-10.6788 -10.6788 -10.6740 -10.6740 -8.1630 -8.1630 -8.1193 -8.1193
-8.1132 -8.1132 -1.3089 -1.3089 2.6674 2.6674 4.7909 4.7909
5.3509 5.3509 7.5422 7.5422 7.6181 7.6181 13.4818 13.4818
14.0063 14.0063
k = 0.5000-0.2134 0.4615 ( 4136 PWs) bands (ev):
-69.4084 -69.4084 -69.4081 -69.4081 -36.3495 -36.3495 -36.3477 -36.3477
-36.0641 -36.0641 -36.0622 -36.0622 -36.0587 -36.0587 -36.0568 -36.0568
-10.6787 -10.6787 -10.6741 -10.6741 -8.1629 -8.1629 -8.1193 -8.1193
-8.1133 -8.1133 -1.3082 -1.3082 2.6840 2.6840 4.7427 4.7427
5.2956 5.2956 7.6325 7.6325 7.7069 7.7069 13.3430 13.3430
13.8357 13.8357
k = 0.5000-0.2008 0.4704 ( 4140 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3495 -36.3495 -36.3478 -36.3478
-36.0640 -36.0640 -36.0623 -36.0623 -36.0587 -36.0587 -36.0569 -36.0569
-10.6787 -10.6787 -10.6742 -10.6742 -8.1628 -8.1628 -8.1193 -8.1193
-8.1135 -8.1135 -1.3074 -1.3074 2.7035 2.7035 4.6881 4.6881
5.2380 5.2380 7.7288 7.7288 7.8120 7.8120 13.1839 13.1839
13.6519 13.6519
k = 0.5000-0.1883 0.4792 ( 4134 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3494 -36.3494 -36.3478 -36.3478
-36.0640 -36.0640 -36.0623 -36.0623 -36.0587 -36.0587 -36.0569 -36.0569
-10.6786 -10.6786 -10.6742 -10.6742 -8.1626 -8.1626 -8.1192 -8.1192
-8.1137 -8.1137 -1.3066 -1.3066 2.7260 2.7260 4.6281 4.6281
5.1801 5.1801 7.8312 7.8312 7.9306 7.9306 13.0098 13.0098
13.4589 13.4589
k = 0.5000-0.1757 0.4881 ( 4142 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3494 -36.3494 -36.3478 -36.3478
-36.0639 -36.0639 -36.0623 -36.0623 -36.0587 -36.0587 -36.0570 -36.0570
-10.6786 -10.6786 -10.6743 -10.6743 -8.1626 -8.1626 -8.1192 -8.1192
-8.1139 -8.1139 -1.3056 -1.3056 2.7513 2.7513 4.5635 4.5635
5.1232 5.1232 7.9404 7.9404 8.0598 8.0598 12.8254 12.8254
13.2595 13.2595
k = 0.5000-0.1632 0.4970 ( 4142 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3494 -36.3494 -36.3479 -36.3479
-36.0639 -36.0639 -36.0623 -36.0623 -36.0587 -36.0587 -36.0571 -36.0571
-10.6785 -10.6785 -10.6743 -10.6743 -8.1624 -8.1624 -8.1192 -8.1192
-8.1141 -8.1141 -1.3046 -1.3046 2.7793 2.7793 4.4952 4.4952
5.0684 5.0684 8.0565 8.0565 8.1975 8.1975 12.6340 12.6340
13.0560 13.0560
k = 0.5000-0.1506 0.5059 ( 4130 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3493 -36.3493 -36.3479 -36.3479
-36.0638 -36.0638 -36.0623 -36.0623 -36.0586 -36.0586 -36.0571 -36.0571
-10.6784 -10.6784 -10.6743 -10.6743 -8.1622 -8.1622 -8.1190 -8.1190
-8.1143 -8.1143 -1.3036 -1.3036 2.8100 2.8100 4.4242 4.4242
5.0164 5.0164 8.1794 8.1794 8.3422 8.3422 12.4382 12.4382
12.8501 12.8501
k = 0.5000-0.1381 0.5147 ( 4132 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3493 -36.3493 -36.3479 -36.3479
-36.0637 -36.0637 -36.0623 -36.0623 -36.0586 -36.0586 -36.0572 -36.0572
-10.6783 -10.6783 -10.6744 -10.6744 -8.1620 -8.1620 -8.1189 -8.1189
-8.1146 -8.1146 -1.3026 -1.3026 2.8432 2.8432 4.3513 4.3513
4.9677 4.9677 8.3087 8.3087 8.4929 8.4929 12.2398 12.2398
12.6427 12.6427
k = 0.5000-0.1255 0.5236 ( 4128 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3492 -36.3492 -36.3480 -36.3480
-36.0636 -36.0636 -36.0624 -36.0624 -36.0586 -36.0586 -36.0573 -36.0573
-10.6782 -10.6782 -10.6745 -10.6745 -8.1618 -8.1618 -8.1188 -8.1188
-8.1148 -8.1148 -1.3016 -1.3016 2.8789 2.8789 4.2773 4.2773
4.9227 4.9227 8.4440 8.4440 8.6488 8.6488 12.0400 12.0400
12.4349 12.4349
k = 0.5000-0.1130 0.5325 ( 4124 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3492 -36.3492 -36.3480 -36.3480
-36.0636 -36.0636 -36.0624 -36.0624 -36.0585 -36.0585 -36.0573 -36.0573
-10.6780 -10.6780 -10.6745 -10.6745 -8.1617 -8.1617 -8.1187 -8.1187
-8.1150 -8.1150 -1.3006 -1.3006 2.9167 2.9167 4.2032 4.2032
4.8816 4.8816 8.5849 8.5849 8.8095 8.8095 11.8399 11.8399
12.2274 12.2274
k = 0.5000-0.1004 0.5414 ( 4128 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3491 -36.3491 -36.3481 -36.3481
-36.0635 -36.0635 -36.0624 -36.0624 -36.0585 -36.0585 -36.0574 -36.0574
-10.6780 -10.6780 -10.6747 -10.6747 -8.1616 -8.1616 -8.1186 -8.1186
-8.1153 -8.1153 -1.2997 -1.2997 2.9565 2.9565 4.1298 4.1298
4.8446 4.8446 8.7310 8.7310 8.9744 8.9744 11.6404 11.6404
12.0204 12.0204
k = 0.5000-0.0879 0.5502 ( 4126 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3491 -36.3491 -36.3481 -36.3481
-36.0634 -36.0634 -36.0625 -36.0625 -36.0585 -36.0585 -36.0575 -36.0575
-10.6779 -10.6779 -10.6747 -10.6747 -8.1614 -8.1614 -8.1185 -8.1185
-8.1155 -8.1155 -1.2988 -1.2988 2.9977 2.9977 4.0578 4.0578
4.8117 4.8117 8.8819 8.8819 9.1432 9.1432 11.4421 11.4421
11.8144 11.8144
k = 0.5000-0.0753 0.5591 ( 4130 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0633 -36.0633 -36.0625 -36.0625 -36.0584 -36.0584 -36.0576 -36.0576
-10.6779 -10.6779 -10.6748 -10.6748 -8.1613 -8.1613 -8.1184 -8.1184
-8.1158 -8.1158 -1.2980 -1.2980 3.0398 3.0398 3.9884 3.9884
4.7831 4.7831 9.0370 9.0370 9.3157 9.3157 11.2456 11.2456
11.6098 11.6098
k = 0.5000-0.0628 0.5680 ( 4130 PWs) bands (ev):
-69.4083 -69.4083 -69.4082 -69.4082 -36.3489 -36.3489 -36.3483 -36.3483
-36.0632 -36.0632 -36.0626 -36.0626 -36.0584 -36.0584 -36.0577 -36.0577
-10.6778 -10.6778 -10.6749 -10.6749 -8.1612 -8.1612 -8.1183 -8.1183
-8.1161 -8.1161 -1.2973 -1.2973 3.0821 3.0821 3.9226 3.9226
4.7588 4.7588 9.1958 9.1958 9.4914 9.4914 11.0517 11.0517
11.4067 11.4067
k = 0.5000-0.0502 0.5769 ( 4134 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3489 -36.3489 -36.3483 -36.3483
-36.0632 -36.0632 -36.0626 -36.0626 -36.0583 -36.0583 -36.0578 -36.0578
-10.6777 -10.6777 -10.6750 -10.6750 -8.1612 -8.1612 -8.1182 -8.1182
-8.1163 -8.1163 -1.2967 -1.2967 3.1231 3.1231 3.8619 3.8619
4.7388 4.7388 9.3575 9.3575 9.6702 9.6702 10.8614 10.8614
11.2054 11.2054
k = 0.5000-0.0377 0.5857 ( 4146 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3484 -36.3484
-36.0631 -36.0631 -36.0627 -36.0627 -36.0583 -36.0583 -36.0579 -36.0579
-10.6778 -10.6778 -10.6751 -10.6751 -8.1612 -8.1612 -8.1181 -8.1181
-8.1167 -8.1167 -1.2963 -1.2963 3.1609 3.1609 3.8087 3.8087
4.7232 4.7232 9.5204 9.5204 9.8517 9.8517 10.6764 10.6764
11.0062 11.0062
k = 0.5000-0.0251 0.5946 ( 4142 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3485 -36.3485
-36.0630 -36.0630 -36.0627 -36.0627 -36.0582 -36.0582 -36.0579 -36.0579
-10.6777 -10.6777 -10.6751 -10.6751 -8.1611 -8.1611 -8.1179 -8.1179
-8.1169 -8.1169 -1.2959 -1.2959 3.1925 3.1925 3.7659 3.7659
4.7121 4.7121 9.6808 9.6808 10.0348 10.0348 10.5012 10.5012
10.8094 10.8094
k = 0.5000-0.0126 0.6035 ( 4142 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0630 -36.0630 -36.0628 -36.0628 -36.0582 -36.0582 -36.0580 -36.0580
-10.6777 -10.6777 -10.6751 -10.6751 -8.1611 -8.1611 -8.1177 -8.1177
-8.1170 -8.1170 -1.2957 -1.2957 3.2142 3.2142 3.7375 3.7375
4.7054 4.7054 9.8257 9.8257 10.2116 10.2116 10.3560 10.3560
10.6158 10.6158
k = 0.5000 0.0000 0.6124 ( 4156 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3486 -36.3486
-36.0629 -36.0629 -36.0629 -36.0629 -36.0581 -36.0581 -36.0581 -36.0581
-10.6778 -10.6778 -10.6753 -10.6753 -8.1612 -8.1612 -8.1177 -8.1177
-8.1172 -8.1172 -1.2957 -1.2957 3.2219 3.2219 3.7275 3.7275
4.7032 4.7032 9.8997 9.8997 10.2479 10.2479 10.4132 10.4132
10.4427 10.4427
k = 0.5000 0.0000 0.6124 ( 4156 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3486 -36.3486
-36.0629 -36.0629 -36.0629 -36.0629 -36.0581 -36.0581 -36.0581 -36.0581
-10.6778 -10.6778 -10.6753 -10.6753 -8.1612 -8.1612 -8.1177 -8.1177
-8.1172 -8.1172 -1.2957 -1.2957 3.2219 3.2219 3.7275 3.7275
4.7032 4.7032 9.8997 9.8997 10.2479 10.2479 10.4132 10.4132
10.4427 10.4427
k = 0.4926 0.0127 0.6124 ( 4146 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3486 -36.3486
-36.0629 -36.0629 -36.0628 -36.0628 -36.0582 -36.0582 -36.0580 -36.0580
-10.6777 -10.6777 -10.6752 -10.6752 -8.1611 -8.1611 -8.1178 -8.1178
-8.1171 -8.1171 -1.2961 -1.2961 3.2183 3.2183 3.7313 3.7313
4.7077 4.7077 9.8492 9.8492 10.2443 10.2443 10.3597 10.3597
10.5554 10.5554
k = 0.4853 0.0255 0.6124 ( 4146 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0630 -36.0630 -36.0628 -36.0628 -36.0582 -36.0582 -36.0580 -36.0580
-10.6777 -10.6777 -10.6752 -10.6752 -8.1611 -8.1611 -8.1180 -8.1180
-8.1169 -8.1169 -1.2975 -1.2975 3.2081 3.2081 3.7412 3.7412
4.7219 4.7219 9.7177 9.7177 10.2041 10.2041 10.4164 10.4164
10.6865 10.6865
k = 0.4779 0.0382 0.6124 ( 4146 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3485 -36.3485
-36.0630 -36.0630 -36.0627 -36.0627 -36.0582 -36.0582 -36.0580 -36.0580
-10.6778 -10.6778 -10.6752 -10.6752 -8.1612 -8.1612 -8.1182 -8.1182
-8.1166 -8.1166 -1.2996 -1.2996 3.1930 3.1930 3.7544 3.7544
4.7466 4.7466 9.5491 9.5491 10.1616 10.1616 10.5200 10.5200
10.8209 10.8209
k = 0.4706 0.0509 0.6124 ( 4146 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3485 -36.3485
-36.0631 -36.0631 -36.0627 -36.0627 -36.0583 -36.0583 -36.0579 -36.0579
-10.6778 -10.6778 -10.6752 -10.6752 -8.1612 -8.1612 -8.1184 -8.1184
-8.1164 -8.1164 -1.3022 -1.3022 3.1747 3.1747 3.7683 3.7683
4.7820 4.7820 9.3678 9.3678 10.1250 10.1250 10.6390 10.6390
10.9577 10.9577
k = 0.4632 0.0637 0.6124 ( 4136 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3484 -36.3484
-36.0631 -36.0631 -36.0627 -36.0627 -36.0583 -36.0583 -36.0579 -36.0579
-10.6777 -10.6777 -10.6751 -10.6751 -8.1612 -8.1612 -8.1186 -8.1186
-8.1161 -8.1161 -1.3053 -1.3053 3.1547 3.1547 3.7811 3.7811
4.8282 4.8282 9.1835 9.1835 10.0929 10.0929 10.7658 10.7658
11.0967 11.0967
k = 0.4559 0.0764 0.6124 ( 4135 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3484 -36.3484
-36.0631 -36.0631 -36.0626 -36.0626 -36.0583 -36.0583 -36.0579 -36.0579
-10.6778 -10.6778 -10.6751 -10.6751 -8.1612 -8.1612 -8.1188 -8.1188
-8.1159 -8.1159 -1.3086 -1.3086 3.1341 3.1341 3.7917 3.7917
4.8843 4.8843 9.0006 9.0006 10.0642 10.0642 10.8974 10.8974
11.2377 11.2377
k = 0.4485 0.0891 0.6124 ( 4137 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3489 -36.3489 -36.3484 -36.3484
-36.0631 -36.0631 -36.0626 -36.0626 -36.0584 -36.0584 -36.0578 -36.0578
-10.6778 -10.6778 -10.6751 -10.6751 -8.1613 -8.1613 -8.1190 -8.1190
-8.1157 -8.1157 -1.3121 -1.3121 3.1138 3.1138 3.7997 3.7997
4.9493 4.9493 8.8216 8.8216 10.0385 10.0385 11.0325 11.0325
11.3803 11.3803
k = 0.4412 0.1019 0.6124 ( 4140 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3489 -36.3489 -36.3483 -36.3483
-36.0631 -36.0631 -36.0626 -36.0626 -36.0584 -36.0584 -36.0578 -36.0578
-10.6779 -10.6779 -10.6750 -10.6750 -8.1613 -8.1613 -8.1192 -8.1192
-8.1155 -8.1155 -1.3156 -1.3156 3.0943 3.0943 3.8052 3.8052
5.0216 5.0216 8.6482 8.6482 10.0154 10.0154 11.1701 11.1701
11.5244 11.5244
k = 0.4338 0.1146 0.6124 ( 4138 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3489 -36.3489 -36.3483 -36.3483
-36.0632 -36.0632 -36.0625 -36.0625 -36.0584 -36.0584 -36.0578 -36.0578
-10.6779 -10.6779 -10.6750 -10.6750 -8.1614 -8.1614 -8.1193 -8.1193
-8.1153 -8.1153 -1.3191 -1.3191 3.0761 3.0761 3.8084 3.8084
5.0991 5.0991 8.4821 8.4821 9.9950 9.9950 11.3097 11.3097
11.6697 11.6697
k = 0.4265 0.1274 0.6124 ( 4137 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3489 -36.3489 -36.3483 -36.3483
-36.0632 -36.0632 -36.0625 -36.0625 -36.0585 -36.0585 -36.0578 -36.0578
-10.6779 -10.6779 -10.6750 -10.6750 -8.1614 -8.1614 -8.1195 -8.1195
-8.1152 -8.1152 -1.3223 -1.3223 3.0596 3.0596 3.8100 3.8100
5.1796 5.1796 8.3250 8.3250 9.9770 9.9770 11.4505 11.4505
11.8156 11.8156
k = 0.4191 0.1401 0.6124 ( 4135 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3483 -36.3483
-36.0632 -36.0632 -36.0625 -36.0625 -36.0585 -36.0585 -36.0577 -36.0577
-10.6780 -10.6780 -10.6749 -10.6749 -8.1615 -8.1615 -8.1196 -8.1196
-8.1150 -8.1150 -1.3253 -1.3253 3.0449 3.0449 3.8102 3.8102
5.2605 5.2605 8.1789 8.1789 9.9614 9.9614 11.5917 11.5917
11.9614 11.9614
k = 0.4118 0.1528 0.6124 ( 4139 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0632 -36.0632 -36.0625 -36.0625 -36.0585 -36.0585 -36.0577 -36.0577
-10.6780 -10.6780 -10.6749 -10.6749 -8.1616 -8.1616 -8.1197 -8.1197
-8.1149 -8.1149 -1.3280 -1.3280 3.0322 3.0322 3.8097 3.8097
5.3389 5.3389 8.0463 8.0463 9.9482 9.9482 11.7321 11.7321
12.1059 12.1059
k = 0.4044 0.1656 0.6124 ( 4130 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0632 -36.0632 -36.0624 -36.0624 -36.0585 -36.0585 -36.0577 -36.0577
-10.6780 -10.6780 -10.6749 -10.6749 -8.1616 -8.1616 -8.1197 -8.1197
-8.1147 -8.1147 -1.3303 -1.3303 3.0217 3.0217 3.8088 3.8088
5.4114 5.4114 7.9301 7.9301 9.9375 9.9375 11.8698 11.8698
12.2470 12.2470
k = 0.3971 0.1783 0.6124 ( 4132 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0632 -36.0632 -36.0624 -36.0624 -36.0585 -36.0585 -36.0577 -36.0577
-10.6780 -10.6780 -10.6749 -10.6749 -8.1616 -8.1616 -8.1198 -8.1198
-8.1147 -8.1147 -1.3321 -1.3321 3.0134 3.0134 3.8078 3.8078
5.4740 5.4740 7.8338 7.8338 9.9291 9.9291 12.0012 12.0012
12.3805 12.3805
k = 0.3897 0.1910 0.6124 ( 4132 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0632 -36.0632 -36.0624 -36.0624 -36.0585 -36.0585 -36.0577 -36.0577
-10.6780 -10.6780 -10.6749 -10.6749 -8.1616 -8.1616 -8.1199 -8.1199
-8.1146 -8.1146 -1.3334 -1.3334 3.0075 3.0075 3.8069 3.8069
5.5228 5.5228 7.7611 7.7611 9.9232 9.9232 12.1194 12.1194
12.4979 12.4979
k = 0.3824 0.2038 0.6124 ( 4137 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0633 -36.0633 -36.0624 -36.0624 -36.0586 -36.0586 -36.0577 -36.0577
-10.6781 -10.6781 -10.6749 -10.6749 -8.1617 -8.1617 -8.1199 -8.1199
-8.1146 -8.1146 -1.3342 -1.3342 3.0039 3.0039 3.8063 3.8063
5.5540 5.5540 7.7157 7.7157 9.9196 9.9196 12.2092 12.2092
12.5826 12.5826
k = 0.3750 0.2165 0.6124 ( 4149 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0633 -36.0633 -36.0624 -36.0624 -36.0586 -36.0586 -36.0577 -36.0577
-10.6782 -10.6782 -10.6750 -10.6750 -8.1618 -8.1618 -8.1200 -8.1200
-8.1147 -8.1147 -1.3345 -1.3345 3.0027 3.0027 3.8060 3.8060
5.5647 5.5647 7.7003 7.7003 9.9184 9.9184 12.2448 12.2448
12.6135 12.6135
k = 0.3750 0.2165 0.6124 ( 4149 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0633 -36.0633 -36.0624 -36.0624 -36.0586 -36.0586 -36.0577 -36.0577
-10.6782 -10.6782 -10.6750 -10.6750 -8.1618 -8.1618 -8.1200 -8.1200
-8.1147 -8.1147 -1.3345 -1.3345 3.0027 3.0027 3.8060 3.8060
5.5647 5.5647 7.7003 7.7003 9.9184 9.9184 12.2448 12.2448
12.6135 12.6135
k = 0.3673 0.2121 0.5999 ( 4139 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3489 -36.3489 -36.3483 -36.3483
-36.0631 -36.0631 -36.0624 -36.0624 -36.0585 -36.0585 -36.0578 -36.0578
-10.6781 -10.6781 -10.6750 -10.6750 -8.1616 -8.1616 -8.1201 -8.1201
-8.1146 -8.1146 -1.3431 -1.3431 3.0418 3.0418 3.7444 3.7444
5.6031 5.6031 7.7416 7.7416 10.1434 10.1434 12.1255 12.1255
12.4939 12.4939
k = 0.3597 0.2077 0.5874 ( 4135 PWs) bands (ev):
-69.4083 -69.4083 -69.4082 -69.4082 -36.3488 -36.3488 -36.3484 -36.3484
-36.0630 -36.0630 -36.0625 -36.0625 -36.0585 -36.0585 -36.0580 -36.0580
-10.6780 -10.6780 -10.6751 -10.6751 -8.1615 -8.1615 -8.1203 -8.1203
-8.1146 -8.1146 -1.3534 -1.3534 3.0792 3.0792 3.6935 3.6935
5.6440 5.6440 7.7851 7.7851 10.3709 10.3709 12.0081 12.0081
12.3765 12.3765
k = 0.3520 0.2033 0.5749 ( 4131 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3484 -36.3484
-36.0629 -36.0629 -36.0625 -36.0625 -36.0584 -36.0584 -36.0581 -36.0581
-10.6779 -10.6779 -10.6751 -10.6751 -8.1615 -8.1615 -8.1206 -8.1206
-8.1145 -8.1145 -1.3656 -1.3656 3.1131 3.1131 3.6553 3.6553
5.6872 5.6872 7.8307 7.8307 10.6002 10.6002 11.8929 11.8929
12.2615 12.2615
k = 0.3444 0.1988 0.5624 ( 4131 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0627 -36.0627 -36.0625 -36.0625 -36.0584 -36.0584 -36.0582 -36.0582
-10.6779 -10.6779 -10.6752 -10.6752 -8.1615 -8.1615 -8.1208 -8.1208
-8.1145 -8.1145 -1.3797 -1.3797 3.1414 3.1414 3.6326 3.6326
5.7326 5.7326 7.8784 7.8784 10.8301 10.8301 11.7803 11.7803
12.1489 12.1489
k = 0.3367 0.1944 0.5499 ( 4127 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0626 -36.0626 -36.0625 -36.0625 -36.0584 -36.0584 -36.0583 -36.0583
-10.6779 -10.6779 -10.6753 -10.6753 -8.1615 -8.1615 -8.1211 -8.1211
-8.1144 -8.1144 -1.3960 -1.3960 3.1621 3.1621 3.6273 3.6273
5.7800 5.7800 7.9281 7.9281 11.0582 11.0582 11.6711 11.6711
12.0388 12.0388
k = 0.3291 0.1900 0.5374 ( 4133 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0626 -36.0626 -36.0624 -36.0624 -36.0585 -36.0585 -36.0583 -36.0583
-10.6779 -10.6779 -10.6754 -10.6754 -8.1615 -8.1615 -8.1214 -8.1214
-8.1144 -8.1144 -1.4144 -1.4144 3.1747 3.1747 3.6403 3.6403
5.8294 5.8294 7.9796 7.9796 11.2769 11.2769 11.5687 11.5687
11.9311 11.9311
k = 0.3214 0.1856 0.5249 ( 4131 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3484 -36.3484
-36.0626 -36.0626 -36.0623 -36.0623 -36.0587 -36.0587 -36.0583 -36.0583
-10.6779 -10.6779 -10.6755 -10.6755 -8.1616 -8.1616 -8.1216 -8.1216
-8.1143 -8.1143 -1.4350 -1.4350 3.1809 3.1809 3.6698 3.6698
5.8805 5.8805 8.0329 8.0329 11.4146 11.4146 11.5325 11.5325
11.8259 11.8259
k = 0.3138 0.1812 0.5124 ( 4127 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3483 -36.3483
-36.0626 -36.0626 -36.0621 -36.0621 -36.0588 -36.0588 -36.0583 -36.0583
-10.6779 -10.6779 -10.6756 -10.6756 -8.1617 -8.1617 -8.1219 -8.1219
-8.1142 -8.1142 -1.4579 -1.4579 3.1837 3.1837 3.7132 3.7132
5.9334 5.9334 8.0879 8.0879 11.3408 11.3408 11.6520 11.6520
11.7238 11.7238
k = 0.3061 0.1767 0.4999 ( 4127 PWs) bands (ev):
-69.4083 -69.4083 -69.4082 -69.4082 -36.3489 -36.3489 -36.3482 -36.3482
-36.0627 -36.0627 -36.0620 -36.0620 -36.0590 -36.0590 -36.0582 -36.0582
-10.6780 -10.6780 -10.6757 -10.6757 -8.1618 -8.1618 -8.1221 -8.1221
-8.1142 -8.1142 -1.4830 -1.4830 3.1862 3.1862 3.7673 3.7673
5.9877 5.9877 8.1443 8.1443 11.2453 11.2453 11.6215 11.6215
11.6774 11.6774
k = 0.2985 0.1723 0.4874 ( 4119 PWs) bands (ev):
-69.4083 -69.4083 -69.4082 -69.4082 -36.3490 -36.3490 -36.3481 -36.3481
-36.0627 -36.0627 -36.0618 -36.0618 -36.0591 -36.0591 -36.0582 -36.0582
-10.6780 -10.6780 -10.6757 -10.6757 -8.1619 -8.1619 -8.1224 -8.1224
-8.1141 -8.1141 -1.5103 -1.5103 3.1909 3.1909 3.8297 3.8297
6.0435 6.0435 8.2021 8.2021 11.1508 11.1508 11.5242 11.5242
11.6184 11.6184
k = 0.2908 0.1679 0.4749 ( 4121 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3491 -36.3491 -36.3481 -36.3481
-36.0627 -36.0627 -36.0617 -36.0617 -36.0593 -36.0593 -36.0582 -36.0582
-10.6781 -10.6781 -10.6757 -10.6757 -8.1621 -8.1621 -8.1226 -8.1226
-8.1141 -8.1141 -1.5398 -1.5398 3.1994 3.1994 3.8985 3.8985
6.1005 6.1005 8.2610 8.2610 11.0590 11.0590 11.4288 11.4288
11.5334 11.5334
k = 0.2832 0.1635 0.4624 ( 4129 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3492 -36.3492 -36.3480 -36.3480
-36.0627 -36.0627 -36.0615 -36.0615 -36.0594 -36.0594 -36.0582 -36.0582
-10.6783 -10.6783 -10.6759 -10.6759 -8.1623 -8.1623 -8.1229 -8.1229
-8.1142 -8.1142 -1.5713 -1.5713 3.2129 3.2129 3.9726 3.9726
6.1586 6.1586 8.3208 8.3208 10.9706 10.9706 11.3359 11.3359
11.4411 11.4411
k = 0.2755 0.1591 0.4499 ( 4121 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3492 -36.3492 -36.3479 -36.3479
-36.0628 -36.0628 -36.0614 -36.0614 -36.0596 -36.0596 -36.0581 -36.0581
-10.6783 -10.6783 -10.6760 -10.6760 -8.1624 -8.1624 -8.1231 -8.1231
-8.1141 -8.1141 -1.6047 -1.6047 3.2321 3.2321 4.0512 4.0512
6.2176 6.2176 8.3811 8.3811 10.8859 10.8859 11.2454 11.2454
11.3473 11.3473
k = 0.2679 0.1546 0.4374 ( 4125 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3494 -36.3494 -36.3478 -36.3478
-36.0628 -36.0628 -36.0612 -36.0612 -36.0598 -36.0598 -36.0581 -36.0581
-10.6784 -10.6784 -10.6761 -10.6761 -8.1627 -8.1627 -8.1232 -8.1232
-8.1142 -8.1142 -1.6399 -1.6399 3.2574 3.2574 4.1336 4.1336
6.2773 6.2773 8.4417 8.4417 10.8052 10.8052 11.1573 11.1573
11.2545 11.2545
k = 0.2602 0.1502 0.4249 ( 4129 PWs) bands (ev):
-69.4084 -69.4084 -69.4081 -69.4081 -36.3495 -36.3495 -36.3477 -36.3477
-36.0628 -36.0628 -36.0610 -36.0610 -36.0599 -36.0599 -36.0581 -36.0581
-10.6785 -10.6785 -10.6763 -10.6763 -8.1630 -8.1630 -8.1235 -8.1235
-8.1143 -8.1143 -1.6767 -1.6767 3.2890 3.2890 4.2195 4.2195
6.3376 6.3376 8.5021 8.5021 10.7285 10.7285 11.0716 11.0716
11.1637 11.1637
k = 0.2526 0.1458 0.4124 ( 4121 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3495 -36.3495 -36.3476 -36.3476
-36.0628 -36.0628 -36.0609 -36.0609 -36.0601 -36.0601 -36.0580 -36.0580
-10.6785 -10.6785 -10.6763 -10.6763 -8.1632 -8.1632 -8.1236 -8.1236
-8.1144 -8.1144 -1.7149 -1.7149 3.3270 3.3270 4.3085 4.3085
6.3983 6.3983 8.5618 8.5618 10.6562 10.6562 10.9885 10.9885
11.0759 11.0759
k = 0.2449 0.1414 0.3999 ( 4131 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3496 -36.3496 -36.3475 -36.3475
-36.0629 -36.0629 -36.0607 -36.0607 -36.0603 -36.0603 -36.0580 -36.0580
-10.6787 -10.6787 -10.6765 -10.6765 -8.1636 -8.1636 -8.1238 -8.1238
-8.1146 -8.1146 -1.7543 -1.7543 3.3714 3.3714 4.4003 4.4003
6.4591 6.4591 8.6201 8.6201 10.5884 10.5884 10.9074 10.9074
10.9916 10.9916
k = 0.2372 0.1370 0.3874 ( 4127 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3497 -36.3497 -36.3474 -36.3474
-36.0629 -36.0629 -36.0605 -36.0605 -36.0604 -36.0604 -36.0580 -36.0580
-10.6788 -10.6788 -10.6766 -10.6766 -8.1639 -8.1639 -8.1239 -8.1239
-8.1147 -8.1147 -1.7947 -1.7947 3.4222 3.4222 4.4947 4.4947
6.5199 6.5199 8.6766 8.6766 10.5249 10.5249 10.8289 10.8289
10.9116 10.9116
k = 0.2296 0.1326 0.3749 ( 4123 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3498 -36.3498 -36.3473 -36.3473
-36.0630 -36.0630 -36.0606 -36.0606 -36.0604 -36.0604 -36.0579 -36.0579
-10.6789 -10.6789 -10.6767 -10.6767 -8.1642 -8.1642 -8.1240 -8.1240
-8.1148 -8.1148 -1.8359 -1.8359 3.4792 3.4792 4.5916 4.5916
6.5804 6.5804 8.7304 8.7304 10.4658 10.4658 10.7528 10.7528
10.8366 10.8366
k = 0.2219 0.1281 0.3624 ( 4119 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3499 -36.3499 -36.3472 -36.3472
-36.0630 -36.0630 -36.0607 -36.0607 -36.0602 -36.0602 -36.0579 -36.0579
-10.6790 -10.6790 -10.6768 -10.6768 -8.1645 -8.1645 -8.1240 -8.1240
-8.1150 -8.1150 -1.8777 -1.8777 3.5423 3.5423 4.6908 4.6908
6.6403 6.6403 8.7805 8.7805 10.4104 10.4104 10.6795 10.6795
10.7679 10.7679
k = 0.2143 0.1237 0.3499 ( 4123 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3500 -36.3500 -36.3471 -36.3471
-36.0630 -36.0630 -36.0609 -36.0609 -36.0600 -36.0600 -36.0578 -36.0578
-10.6792 -10.6792 -10.6770 -10.6770 -8.1649 -8.1649 -8.1241 -8.1241
-8.1153 -8.1153 -1.9199 -1.9199 3.6113 3.6113 4.7920 4.7920
6.6996 6.6996 8.8261 8.8261 10.3580 10.3580 10.6091 10.6091
10.7069 10.7069
k = 0.2066 0.1193 0.3374 ( 4113 PWs) bands (ev):
-69.4085 -69.4085 -69.4080 -69.4080 -36.3501 -36.3501 -36.3470 -36.3470
-36.0631 -36.0631 -36.0611 -36.0611 -36.0599 -36.0599 -36.0578 -36.0578
-10.6793 -10.6793 -10.6771 -10.6771 -8.1652 -8.1652 -8.1241 -8.1241
-8.1155 -8.1155 -1.9622 -1.9622 3.6860 3.6860 4.8952 4.8952
6.7578 6.7578 8.8664 8.8664 10.3072 10.3072 10.5418 10.5418
10.6557 10.6557
k = 0.1990 0.1149 0.3249 ( 4119 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3502 -36.3502 -36.3469 -36.3469
-36.0631 -36.0631 -36.0612 -36.0612 -36.0597 -36.0597 -36.0578 -36.0578
-10.6794 -10.6794 -10.6773 -10.6773 -8.1656 -8.1656 -8.1242 -8.1242
-8.1158 -8.1158 -2.0045 -2.0045 3.7661 3.7661 5.0001 5.0001
6.8149 6.8149 8.9002 8.9002 10.2566 10.2566 10.4775 10.4775
10.6165 10.6165
k = 0.1913 0.1105 0.3124 ( 4113 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3503 -36.3503 -36.3468 -36.3468
-36.0631 -36.0631 -36.0614 -36.0614 -36.0595 -36.0595 -36.0577 -36.0577
-10.6795 -10.6795 -10.6774 -10.6774 -8.1660 -8.1660 -8.1241 -8.1241
-8.1161 -8.1161 -2.0466 -2.0466 3.8516 3.8516 5.1066 5.1066
6.8707 6.8707 8.9271 8.9271 10.2049 10.2049 10.4159 10.4159
10.5912 10.5912
k = 0.1837 0.1060 0.2999 ( 4115 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3504 -36.3504 -36.3467 -36.3467
-36.0632 -36.0632 -36.0616 -36.0616 -36.0594 -36.0594 -36.0577 -36.0577
-10.6796 -10.6796 -10.6776 -10.6776 -8.1664 -8.1664 -8.1242 -8.1242
-8.1164 -8.1164 -2.0883 -2.0883 3.9422 3.9422 5.2144 5.2144
6.9250 6.9250 8.9465 8.9465 10.1516 10.1516 10.3569 10.3569
10.5807 10.5807
k = 0.1760 0.1016 0.2874 ( 4115 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3505 -36.3505 -36.3466 -36.3466
-36.0632 -36.0632 -36.0617 -36.0617 -36.0592 -36.0592 -36.0577 -36.0577
-10.6797 -10.6797 -10.6778 -10.6778 -8.1668 -8.1668 -8.1242 -8.1242
-8.1168 -8.1168 -2.1294 -2.1294 4.0375 4.0375 5.3233 5.3233
6.9777 6.9777 8.9583 8.9583 10.0972 10.0972 10.3004 10.3004
10.5846 10.5846
k = 0.1684 0.0972 0.2749 ( 4103 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3506 -36.3506 -36.3465 -36.3465
-36.0632 -36.0632 -36.0618 -36.0618 -36.0590 -36.0590 -36.0576 -36.0576
-10.6798 -10.6798 -10.6779 -10.6779 -8.1671 -8.1671 -8.1241 -8.1241
-8.1170 -8.1170 -2.1697 -2.1697 4.1375 4.1375 5.4330 5.4330
7.0286 7.0286 8.9628 8.9628 10.0423 10.0423 10.2462 10.2462
10.6014 10.6014
k = 0.1607 0.0928 0.2624 ( 4109 PWs) bands (ev):
-69.4086 -69.4086 -69.4079 -69.4079 -36.3506 -36.3506 -36.3464 -36.3464
-36.0633 -36.0633 -36.0620 -36.0620 -36.0589 -36.0589 -36.0576 -36.0576
-10.6799 -10.6799 -10.6781 -10.6781 -8.1675 -8.1675 -8.1241 -8.1241
-8.1175 -8.1175 -2.2092 -2.2092 4.2417 4.2417 5.5434 5.5434
7.0779 7.0779 8.9603 8.9603 9.9879 9.9879 10.1944 10.1944
10.6290 10.6290
k = 0.1531 0.0884 0.2499 ( 4113 PWs) bands (ev):
-69.4086 -69.4086 -69.4079 -69.4079 -36.3507 -36.3507 -36.3463 -36.3463
-36.0633 -36.0633 -36.0621 -36.0621 -36.0588 -36.0588 -36.0575 -36.0575
-10.6800 -10.6800 -10.6784 -10.6784 -8.1679 -8.1679 -8.1241 -8.1241
-8.1179 -8.1179 -2.2477 -2.2477 4.3500 4.3500 5.6541 5.6541
7.1255 7.1255 8.9517 8.9517 9.9348 9.9348 10.1449 10.1449
10.6650 10.6650
k = 0.1454 0.0840 0.2375 ( 4115 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3508 -36.3508 -36.3463 -36.3463
-36.0633 -36.0633 -36.0623 -36.0623 -36.0586 -36.0586 -36.0575 -36.0575
-10.6802 -10.6802 -10.6786 -10.6786 -8.1684 -8.1684 -8.1240 -8.1240
-8.1183 -8.1183 -2.2849 -2.2849 4.4620 4.4620 5.7647 5.7647
7.1716 7.1716 8.9376 8.9376 9.8837 9.8837 10.0977 10.0977
10.7062 10.7062
k = 0.1378 0.0795 0.2250 ( 4115 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3509 -36.3509 -36.3462 -36.3462
-36.0634 -36.0634 -36.0624 -36.0624 -36.0585 -36.0585 -36.0575 -36.0575
-10.6803 -10.6803 -10.6788 -10.6788 -8.1687 -8.1687 -8.1240 -8.1240
-8.1187 -8.1187 -2.3209 -2.3209 4.5774 4.5774 5.8748 5.8748
7.2163 7.2163 8.9187 8.9187 9.8352 9.8352 10.0529 10.0529
10.7490 10.7490
k = 0.1301 0.0751 0.2125 ( 4127 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3510 -36.3510 -36.3461 -36.3461
-36.0634 -36.0634 -36.0625 -36.0625 -36.0584 -36.0584 -36.0575 -36.0575
-10.6805 -10.6805 -10.6790 -10.6790 -8.1692 -8.1692 -8.1240 -8.1240
-8.1191 -8.1191 -2.3555 -2.3555 4.6957 4.6957 5.9841 5.9841
7.2600 7.2600 8.8957 8.8957 9.7897 9.7897 10.0105 10.0105
10.7890 10.7890
k = 0.1224 0.0707 0.2000 ( 4127 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3510 -36.3510 -36.3460 -36.3460
-36.0634 -36.0634 -36.0627 -36.0627 -36.0583 -36.0583 -36.0575 -36.0575
-10.6806 -10.6806 -10.6792 -10.6792 -8.1696 -8.1696 -8.1240 -8.1240
-8.1195 -8.1195 -2.3886 -2.3886 4.8167 4.8167 6.0921 6.0921
7.3030 7.3030 8.8692 8.8692 9.7476 9.7476 9.9705 9.9705
10.8199 10.8199
k = 0.1148 0.0663 0.1875 ( 4117 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3511 -36.3511 -36.3460 -36.3460
-36.0635 -36.0635 -36.0628 -36.0628 -36.0581 -36.0581 -36.0574 -36.0574
-10.6806 -10.6806 -10.6793 -10.6793 -8.1699 -8.1699 -8.1239 -8.1239
-8.1198 -8.1198 -2.4201 -2.4201 4.9397 4.9397 6.1983 6.1983
7.3457 7.3457 8.8395 8.8395 9.7092 9.7092 9.9330 9.9330
10.8340 10.8340
k = 0.1071 0.0619 0.1750 ( 4117 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3512 -36.3512 -36.3459 -36.3459
-36.0635 -36.0635 -36.0628 -36.0628 -36.0580 -36.0580 -36.0574 -36.0574
-10.6807 -10.6807 -10.6795 -10.6795 -8.1702 -8.1702 -8.1238 -8.1238
-8.1201 -8.1201 -2.4499 -2.4499 5.0642 5.0642 6.3023 6.3023
7.3885 7.3885 8.8068 8.8068 9.6751 9.6751 9.8979 9.8979
10.8219 10.8219
k = 0.0995 0.0574 0.1625 ( 4103 PWs) bands (ev):
-69.4087 -69.4087 -69.4078 -69.4078 -36.3512 -36.3512 -36.3458 -36.3458
-36.0635 -36.0635 -36.0629 -36.0629 -36.0579 -36.0579 -36.0574 -36.0574
-10.6807 -10.6807 -10.6796 -10.6796 -8.1704 -8.1704 -8.1237 -8.1237
-8.1204 -8.1204 -2.4780 -2.4780 5.1894 5.1894 6.4037 6.4037
7.4319 7.4319 8.7710 8.7710 9.6453 9.6453 9.8652 9.8652
10.7772 10.7772
k = 0.0918 0.0530 0.1500 ( 4107 PWs) bands (ev):
-69.4087 -69.4087 -69.4078 -69.4078 -36.3512 -36.3512 -36.3458 -36.3458
-36.0635 -36.0635 -36.0630 -36.0630 -36.0578 -36.0578 -36.0574 -36.0574
-10.6808 -10.6808 -10.6798 -10.6798 -8.1708 -8.1708 -8.1236 -8.1236
-8.1208 -8.1208 -2.5042 -2.5042 5.3145 5.3145 6.5022 6.5022
7.4762 7.4762 8.7318 8.7318 9.6202 9.6202 9.8349 9.8349
10.6994 10.6994
k = 0.0842 0.0486 0.1375 ( 4117 PWs) bands (ev):
-69.4087 -69.4087 -69.4078 -69.4078 -36.3513 -36.3513 -36.3457 -36.3457
-36.0635 -36.0635 -36.0631 -36.0631 -36.0577 -36.0577 -36.0574 -36.0574
-10.6809 -10.6809 -10.6801 -10.6801 -8.1711 -8.1711 -8.1236 -8.1236
-8.1212 -8.1212 -2.5286 -2.5286 5.4383 5.4383 6.5977 6.5977
7.5216 7.5216 8.6889 8.6889 9.6002 9.6002 9.8070 9.8070
10.5955 10.5955
k = 0.0765 0.0442 0.1250 ( 4121 PWs) bands (ev):
-69.4087 -69.4087 -69.4078 -69.4078 -36.3514 -36.3514 -36.3457 -36.3457
-36.0636 -36.0636 -36.0632 -36.0632 -36.0576 -36.0576 -36.0573 -36.0573
-10.6809 -10.6809 -10.6803 -10.6803 -8.1714 -8.1714 -8.1236 -8.1236
-8.1215 -8.1215 -2.5510 -2.5510 5.5597 5.5597 6.6907 6.6907
7.5682 7.5682 8.6415 8.6415 9.5855 9.5855 9.7815 9.7815
10.4752 10.4752
k = 0.0689 0.0398 0.1125 ( 4127 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3514 -36.3514 -36.3457 -36.3457
-36.0636 -36.0636 -36.0633 -36.0633 -36.0576 -36.0576 -36.0573 -36.0573
-10.6810 -10.6810 -10.6805 -10.6805 -8.1718 -8.1718 -8.1235 -8.1235
-8.1219 -8.1219 -2.5714 -2.5714 5.6769 5.6769 6.7817 6.7817
7.6154 7.6154 8.5889 8.5889 9.5763 9.5763 9.7584 9.7584
10.3482 10.3482
k = 0.0612 0.0353 0.1000 ( 4127 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0636 -36.0636 -36.0634 -36.0634 -36.0575 -36.0575 -36.0573 -36.0573
-10.6810 -10.6810 -10.6807 -10.6807 -8.1720 -8.1720 -8.1235 -8.1235
-8.1221 -8.1221 -2.5898 -2.5898 5.7882 5.7882 6.8718 6.8718
7.6628 7.6628 8.5300 8.5300 9.5726 9.5726 9.7377 9.7377
10.2218 10.2218
k = 0.0536 0.0309 0.0875 ( 4129 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0636 -36.0636 -36.0634 -36.0634 -36.0575 -36.0575 -36.0573 -36.0573
-10.6810 -10.6810 -10.6809 -10.6809 -8.1722 -8.1722 -8.1234 -8.1234
-8.1224 -8.1224 -2.6061 -2.6061 5.8916 5.8916 6.9625 6.9625
7.7093 7.7093 8.4638 8.4638 9.5742 9.5742 9.7194 9.7194
10.1019 10.1019
k = 0.0459 0.0265 0.0750 ( 4121 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0636 -36.0636 -36.0635 -36.0635 -36.0574 -36.0574 -36.0573 -36.0573
-10.6810 -10.6810 -10.6809 -10.6809 -8.1724 -8.1724 -8.1233 -8.1233
-8.1225 -8.1225 -2.6203 -2.6203 5.9848 5.9848 7.0551 7.0551
7.7537 7.7537 8.3895 8.3895 9.5807 9.5807 9.7033 9.7033
9.9930 9.9930
k = 0.0383 0.0221 0.0625 ( 4121 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0636 -36.0636 -36.0635 -36.0635 -36.0574 -36.0574 -36.0573 -36.0573
-10.6810 -10.6810 -10.6810 -10.6810 -8.1725 -8.1725 -8.1233 -8.1233
-8.1227 -8.1227 -2.6323 -2.6323 6.0659 6.0659 7.1510 7.1510
7.7944 7.7944 8.3069 8.3069 9.5912 9.5912 9.6894 9.6894
9.8986 9.8986
k = 0.0306 0.0177 0.0500 ( 4129 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0636 -36.0636 -36.0635 -36.0635 -36.0574 -36.0574 -36.0574 -36.0574
-10.6811 -10.6811 -10.6811 -10.6811 -8.1727 -8.1727 -8.1233 -8.1233
-8.1229 -8.1229 -2.6422 -2.6422 6.1334 6.1334 7.2505 7.2505
7.8301 7.8301 8.2165 8.2165 9.6038 9.6038 9.6769 9.6769
9.8218 9.8218
k = 0.0230 0.0133 0.0375 ( 4117 PWs) bands (ev):
-69.4088 -69.4088 -69.4077 -69.4077 -36.3515 -36.3515 -36.3456 -36.3456
-36.0635 -36.0635 -36.0634 -36.0634 -36.0574 -36.0574 -36.0574 -36.0574
-10.6811 -10.6811 -10.6811 -10.6811 -8.1727 -8.1727 -8.1232 -8.1232
-8.1230 -8.1230 -2.6499 -2.6499 6.1863 6.1863 7.3525 7.3525
7.8594 7.8594 8.1205 8.1205 9.6166 9.6166 9.6648 9.6648
9.7654 9.7654
k = 0.0153 0.0088 0.0250 ( 4111 PWs) bands (ev):
-69.4088 -69.4088 -69.4077 -69.4077 -36.3514 -36.3514 -36.3456 -36.3456
-36.0634 -36.0634 -36.0634 -36.0634 -36.0574 -36.0574 -36.0574 -36.0574
-10.6811 -10.6811 -10.6810 -10.6810 -8.1727 -8.1727 -8.1231 -8.1231
-8.1230 -8.1230 -2.6554 -2.6554 6.2241 6.2241 7.4530 7.4530
7.8812 7.8812 8.0236 8.0236 9.6268 9.6268 9.6515 9.6515
9.7315 9.7315
k = 0.0077 0.0044 0.0125 ( 4111 PWs) bands (ev):
-69.4088 -69.4088 -69.4077 -69.4077 -36.3514 -36.3514 -36.3456 -36.3456
-36.0634 -36.0634 -36.0634 -36.0634 -36.0574 -36.0574 -36.0574 -36.0574
-10.6811 -10.6811 -10.6811 -10.6811 -8.1728 -8.1728 -8.1231 -8.1231
-8.1231 -8.1231 -2.6588 -2.6588 6.2467 6.2467 7.5400 7.5400
7.8946 7.8946 7.9386 7.9386 9.6326 9.6326 9.6394 9.6394
9.7168 9.7168
k = 0.0000 0.0000 0.0000 ( 4111 PWs) bands (ev):
-69.4088 -69.4088 -69.4077 -69.4077 -36.3514 -36.3514 -36.3456 -36.3456
-36.0635 -36.0635 -36.0635 -36.0635 -36.0574 -36.0574 -36.0574 -36.0574
-10.6811 -10.6811 -10.6811 -10.6811 -8.1728 -8.1728 -8.1231 -8.1231
-8.1231 -8.1231 -2.6599 -2.6599 6.2542 6.2542 7.5801 7.5801
7.8991 7.8991 7.8991 7.8991 9.6344 9.6344 9.6344 9.6344
9.7132 9.7132
k = 0.0000 0.0000 0.0000 ( 4111 PWs) bands (ev):
-69.4088 -69.4088 -69.4077 -69.4077 -36.3514 -36.3514 -36.3456 -36.3456
-36.0635 -36.0635 -36.0635 -36.0635 -36.0574 -36.0574 -36.0574 -36.0574
-10.6811 -10.6811 -10.6811 -10.6811 -8.1728 -8.1728 -8.1231 -8.1231
-8.1231 -8.1231 -2.6599 -2.6599 6.2542 6.2542 7.5801 7.5801
7.8991 7.8991 7.8991 7.8991 9.6344 9.6344 9.6344 9.6344
9.7132 9.7132
k = 0.0125 0.0072 0.0051 ( 4111 PWs) bands (ev):
-69.4088 -69.4088 -69.4077 -69.4077 -36.3514 -36.3514 -36.3456 -36.3456
-36.0634 -36.0634 -36.0634 -36.0634 -36.0574 -36.0574 -36.0574 -36.0574
-10.6811 -10.6811 -10.6811 -10.6811 -8.1728 -8.1728 -8.1231 -8.1231
-8.1231 -8.1231 -2.6588 -2.6588 6.2467 6.2467 7.5399 7.5399
7.8961 7.8961 7.9372 7.9372 9.6337 9.6337 9.6387 9.6387
9.7165 9.7165
k = 0.0250 0.0144 0.0102 ( 4111 PWs) bands (ev):
-69.4088 -69.4088 -69.4077 -69.4077 -36.3514 -36.3514 -36.3456 -36.3456
-36.0634 -36.0634 -36.0634 -36.0634 -36.0574 -36.0574 -36.0574 -36.0574
-10.6811 -10.6811 -10.6810 -10.6810 -8.1727 -8.1727 -8.1231 -8.1231
-8.1230 -8.1230 -2.6554 -2.6554 6.2240 6.2240 7.4526 7.4526
7.8870 7.8870 8.0181 8.0181 9.6320 9.6320 9.6513 9.6513
9.7267 9.7267
k = 0.0375 0.0217 0.0153 ( 4108 PWs) bands (ev):
-69.4088 -69.4088 -69.4077 -69.4077 -36.3515 -36.3515 -36.3456 -36.3456
-36.0635 -36.0635 -36.0634 -36.0634 -36.0574 -36.0574 -36.0573 -36.0573
-10.6810 -10.6810 -10.6810 -10.6810 -8.1727 -8.1727 -8.1232 -8.1232
-8.1229 -8.1229 -2.6499 -2.6499 6.1856 6.1856 7.3522 7.3522
7.8721 7.8721 8.1070 8.1070 9.6313 9.6313 9.6719 9.6719
9.7446 9.7446
k = 0.0500 0.0289 0.0204 ( 4123 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0636 -36.0636 -36.0635 -36.0635 -36.0574 -36.0574 -36.0573 -36.0573
-10.6811 -10.6811 -10.6811 -10.6811 -8.1726 -8.1726 -8.1233 -8.1233
-8.1229 -8.1229 -2.6422 -2.6422 6.1313 6.1313 7.2516 7.2516
7.8520 7.8520 8.1898 8.1898 9.6352 9.6352 9.6996 9.6996
9.7708 9.7708
k = 0.0625 0.0361 0.0255 ( 4123 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0636 -36.0636 -36.0635 -36.0635 -36.0574 -36.0574 -36.0573 -36.0573
-10.6811 -10.6811 -10.6810 -10.6810 -8.1725 -8.1725 -8.1233 -8.1233
-8.1227 -8.1227 -2.6323 -2.6323 6.0610 6.0610 7.1564 7.1564
7.8274 7.8274 8.2595 8.2595 9.6478 9.6478 9.7338 9.7338
9.8061 9.8061
k = 0.0750 0.0433 0.0306 ( 4129 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0636 -36.0636 -36.0635 -36.0635 -36.0574 -36.0574 -36.0574 -36.0574
-10.6811 -10.6811 -10.6810 -10.6810 -8.1724 -8.1724 -8.1234 -8.1234
-8.1226 -8.1226 -2.6203 -2.6203 5.9750 5.9750 7.0689 7.0689
7.7987 7.7987 8.3124 8.3124 9.6713 9.6713 9.7733 9.7733
9.8508 9.8508
k = 0.0875 0.0505 0.0357 ( 4129 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3456 -36.3456
-36.0635 -36.0635 -36.0634 -36.0634 -36.0575 -36.0575 -36.0574 -36.0574
-10.6811 -10.6811 -10.6809 -10.6809 -8.1722 -8.1722 -8.1235 -8.1235
-8.1223 -8.1223 -2.6061 -2.6061 5.8746 5.8746 6.9898 6.9898
7.7668 7.7668 8.3467 8.3467 9.7061 9.7061 9.8170 9.8170
9.9061 9.9061
k = 0.1000 0.0577 0.0408 ( 4141 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3515 -36.3515 -36.3457 -36.3457
-36.0635 -36.0635 -36.0635 -36.0635 -36.0575 -36.0575 -36.0574 -36.0574
-10.6811 -10.6811 -10.6808 -10.6808 -8.1721 -8.1721 -8.1237 -8.1237
-8.1221 -8.1221 -2.5898 -2.5898 5.7616 5.7616 6.9189 6.9189
7.7322 7.7322 8.3630 8.3630 9.7502 9.7502 9.8635 9.8635
9.9731 9.9731
k = 0.1125 0.0650 0.0459 ( 4135 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3514 -36.3514 -36.3457 -36.3457
-36.0635 -36.0635 -36.0634 -36.0634 -36.0575 -36.0575 -36.0575 -36.0575
-10.6811 -10.6811 -10.6806 -10.6806 -8.1718 -8.1718 -8.1237 -8.1237
-8.1218 -8.1218 -2.5715 -2.5715 5.6383 5.6383 6.8552 6.8552
7.6956 7.6956 8.3633 8.3633 9.8001 9.8001 9.9114 9.9114
10.0531 10.0531
k = 0.1250 0.0722 0.0510 ( 4128 PWs) bands (ev):
-69.4088 -69.4088 -69.4078 -69.4078 -36.3514 -36.3514 -36.3457 -36.3457
-36.0634 -36.0634 -36.0634 -36.0634 -36.0576 -36.0576 -36.0575 -36.0575
-10.6810 -10.6810 -10.6803 -10.6803 -8.1715 -8.1715 -8.1238 -8.1238
-8.1214 -8.1214 -2.5511 -2.5511 5.5069 5.5069 6.7974 6.7974
7.6575 7.6575 8.3506 8.3506 9.8522 9.8522 9.9593 9.9593
10.1459 10.1459
k = 0.1375 0.0794 0.0561 ( 4122 PWs) bands (ev):
-69.4087 -69.4087 -69.4078 -69.4078 -36.3513 -36.3513 -36.3458 -36.3458
-36.0633 -36.0633 -36.0633 -36.0633 -36.0576 -36.0576 -36.0575 -36.0575
-10.6810 -10.6810 -10.6801 -10.6801 -8.1712 -8.1712 -8.1238 -8.1238
-8.1211 -8.1211 -2.5288 -2.5288 5.3694 5.3694 6.7445 6.7445
7.6185 7.6185 8.3279 8.3279 9.9036 9.9036 10.0053 10.0053
10.2503 10.2503
k = 0.1500 0.0866 0.0612 ( 4119 PWs) bands (ev):
-69.4087 -69.4087 -69.4078 -69.4078 -36.3512 -36.3512 -36.3458 -36.3458
-36.0633 -36.0633 -36.0632 -36.0632 -36.0577 -36.0577 -36.0576 -36.0576
-10.6809 -10.6809 -10.6799 -10.6799 -8.1709 -8.1709 -8.1239 -8.1239
-8.1207 -8.1207 -2.5045 -2.5045 5.2277 5.2277 6.6953 6.6953
7.5788 7.5788 8.2980 8.2980 9.9526 9.9526 10.0479 10.0479
10.3645 10.3645
k = 0.1625 0.0938 0.0663 ( 4113 PWs) bands (ev):
-69.4087 -69.4087 -69.4078 -69.4078 -36.3512 -36.3512 -36.3459 -36.3459
-36.0632 -36.0632 -36.0632 -36.0632 -36.0577 -36.0577 -36.0576 -36.0576
-10.6808 -10.6808 -10.6796 -10.6796 -8.1705 -8.1705 -8.1240 -8.1240
-8.1202 -8.1202 -2.4784 -2.4784 5.0832 5.0832 6.6492 6.6492
7.5390 7.5390 8.2630 8.2630 9.9976 9.9976 10.0852 10.0852
10.4863 10.4863
k = 0.1750 0.1010 0.0714 ( 4113 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3511 -36.3511 -36.3459 -36.3459
-36.0632 -36.0632 -36.0631 -36.0631 -36.0577 -36.0577 -36.0577 -36.0577
-10.6808 -10.6808 -10.6794 -10.6794 -8.1702 -8.1702 -8.1241 -8.1241
-8.1198 -8.1198 -2.4505 -2.4505 4.9371 4.9371 6.6057 6.6057
7.4993 7.4993 8.2247 8.2247 10.0372 10.0372 10.1154 10.1154
10.6137 10.6137
k = 0.1875 0.1083 0.0765 ( 4113 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3511 -36.3511 -36.3460 -36.3460
-36.0631 -36.0631 -36.0631 -36.0631 -36.0578 -36.0578 -36.0578 -36.0578
-10.6807 -10.6807 -10.6792 -10.6792 -8.1699 -8.1699 -8.1243 -8.1243
-8.1193 -8.1193 -2.4210 -2.4210 4.7905 4.7905 6.5642 6.5642
7.4599 7.4599 8.1844 8.1844 10.0703 10.0703 10.1374 10.1374
10.7453 10.7453
k = 0.2000 0.1155 0.0816 ( 4113 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3510 -36.3510 -36.3460 -36.3460
-36.0630 -36.0630 -36.0630 -36.0630 -36.0579 -36.0579 -36.0578 -36.0578
-10.6806 -10.6806 -10.6790 -10.6790 -8.1695 -8.1695 -8.1244 -8.1244
-8.1189 -8.1189 -2.3898 -2.3898 4.6443 4.6443 6.5245 6.5245
7.4212 7.4212 8.1431 8.1431 10.0958 10.0958 10.1503 10.1503
10.8794 10.8794
k = 0.2125 0.1227 0.0868 ( 4116 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3509 -36.3509 -36.3461 -36.3461
-36.0629 -36.0629 -36.0629 -36.0629 -36.0579 -36.0579 -36.0579 -36.0579
-10.6805 -10.6805 -10.6789 -10.6789 -8.1692 -8.1692 -8.1246 -8.1246
-8.1184 -8.1184 -2.3571 -2.3571 4.4990 4.4990 6.4865 6.4865
7.3832 7.3832 8.1016 8.1016 10.1131 10.1131 10.1538 10.1538
11.0148 11.0148
k = 0.2250 0.1299 0.0919 ( 4116 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3509 -36.3509 -36.3462 -36.3462
-36.0629 -36.0629 -36.0629 -36.0629 -36.0580 -36.0580 -36.0580 -36.0580
-10.6804 -10.6804 -10.6787 -10.6787 -8.1688 -8.1688 -8.1248 -8.1248
-8.1179 -8.1179 -2.3231 -2.3231 4.3553 4.3553 6.4500 6.4500
7.3462 7.3462 8.0604 8.0604 10.1217 10.1217 10.1483 10.1483
11.1501 11.1501
k = 0.2375 0.1371 0.0970 ( 4116 PWs) bands (ev):
-69.4087 -69.4087 -69.4079 -69.4079 -36.3508 -36.3508 -36.3463 -36.3463
-36.0628 -36.0628 -36.0628 -36.0628 -36.0581 -36.0581 -36.0581 -36.0581
-10.6804 -10.6804 -10.6785 -10.6785 -8.1685 -8.1685 -8.1249 -8.1249
-8.1174 -8.1174 -2.2878 -2.2878 4.2137 4.2137 6.4149 6.4149
7.3103 7.3103 8.0200 8.0200 10.1222 10.1222 10.1349 10.1349
11.2834 11.2834
k = 0.2500 0.1443 0.1021 ( 4122 PWs) bands (ev):
-69.4086 -69.4086 -69.4079 -69.4079 -36.3507 -36.3507 -36.3464 -36.3464
-36.0627 -36.0627 -36.0627 -36.0627 -36.0582 -36.0582 -36.0582 -36.0582
-10.6803 -10.6803 -10.6783 -10.6783 -8.1682 -8.1682 -8.1251 -8.1251
-8.1170 -8.1170 -2.2514 -2.2514 4.0747 4.0747 6.3813 6.3813
7.2756 7.2756 7.9807 7.9807 10.1147 10.1147 10.1152 10.1152
11.4111 11.4111
k = 0.2625 0.1516 0.1072 ( 4119 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3506 -36.3506 -36.3465 -36.3465
-36.0626 -36.0626 -36.0626 -36.0626 -36.0583 -36.0583 -36.0583 -36.0583
-10.6803 -10.6803 -10.6781 -10.6781 -8.1678 -8.1678 -8.1252 -8.1252
-8.1165 -8.1165 -2.2141 -2.2141 3.9387 3.9387 6.3491 6.3491
7.2422 7.2422 7.9426 7.9426 10.0892 10.0892 10.1018 10.1018
11.5157 11.5157
k = 0.2750 0.1588 0.1123 ( 4122 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3505 -36.3505 -36.3466 -36.3466
-36.0625 -36.0625 -36.0625 -36.0625 -36.0584 -36.0584 -36.0584 -36.0584
-10.6802 -10.6802 -10.6779 -10.6779 -8.1674 -8.1674 -8.1254 -8.1254
-8.1160 -8.1160 -2.1760 -2.1760 3.8061 3.8061 6.3183 6.3183
7.2102 7.2102 7.9061 7.9061 10.0598 10.0598 10.0834 10.0834
11.5305 11.5305
k = 0.2875 0.1660 0.1174 ( 4116 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3504 -36.3504 -36.3466 -36.3466
-36.0624 -36.0624 -36.0624 -36.0624 -36.0585 -36.0585 -36.0585 -36.0585
-10.6801 -10.6801 -10.6776 -10.6776 -8.1670 -8.1670 -8.1255 -8.1255
-8.1155 -8.1155 -2.1373 -2.1373 3.6774 3.6774 6.2890 6.2890
7.1797 7.1797 7.8712 7.8712 10.0277 10.0277 10.0612 10.0612
11.4919 11.4919
k = 0.3000 0.1732 0.1225 ( 4116 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3503 -36.3503 -36.3467 -36.3467
-36.0623 -36.0623 -36.0623 -36.0623 -36.0586 -36.0586 -36.0586 -36.0586
-10.6800 -10.6800 -10.6774 -10.6774 -8.1667 -8.1667 -8.1256 -8.1256
-8.1151 -8.1151 -2.0982 -2.0982 3.5528 3.5528 6.2612 6.2612
7.1507 7.1507 7.8380 7.8380 9.9940 9.9940 10.0363 10.0363
11.4459 11.4459
k = 0.3125 0.1804 0.1276 ( 4134 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3502 -36.3502 -36.3469 -36.3469
-36.0622 -36.0622 -36.0622 -36.0622 -36.0588 -36.0588 -36.0587 -36.0587
-10.6801 -10.6801 -10.6773 -10.6773 -8.1664 -8.1664 -8.1258 -8.1258
-8.1148 -8.1148 -2.0591 -2.0591 3.4327 3.4327 6.2349 6.2349
7.1232 7.1232 7.8067 7.8067 9.9596 9.9596 10.0097 10.0097
11.3994 11.3994
k = 0.3250 0.1876 0.1327 ( 4146 PWs) bands (ev):
-69.4086 -69.4086 -69.4080 -69.4080 -36.3502 -36.3502 -36.3470 -36.3470
-36.0622 -36.0622 -36.0622 -36.0622 -36.0589 -36.0589 -36.0588 -36.0588
-10.6801 -10.6801 -10.6772 -10.6772 -8.1662 -8.1662 -8.1261 -8.1261
-8.1144 -8.1144 -2.0201 -2.0201 3.3176 3.3176 6.2101 6.2101
7.0974 7.0974 7.7773 7.7773 9.9252 9.9252 9.9822 9.9822
11.3543 11.3543
k = 0.3375 0.1949 0.1378 ( 4146 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3501 -36.3501 -36.3471 -36.3471
-36.0621 -36.0621 -36.0620 -36.0620 -36.0590 -36.0590 -36.0589 -36.0589
-10.6800 -10.6800 -10.6771 -10.6771 -8.1659 -8.1659 -8.1262 -8.1262
-8.1139 -8.1139 -1.9815 -1.9815 3.2078 3.2078 6.1868 6.1868
7.0733 7.0733 7.7498 7.7498 9.8916 9.8916 9.9547 9.9547
11.3113 11.3113
k = 0.3500 0.2021 0.1429 ( 4146 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3500 -36.3500 -36.3472 -36.3472
-36.0620 -36.0620 -36.0619 -36.0619 -36.0591 -36.0591 -36.0590 -36.0590
-10.6800 -10.6800 -10.6769 -10.6769 -8.1656 -8.1656 -8.1263 -8.1263
-8.1135 -8.1135 -1.9437 -1.9437 3.1038 3.1038 6.1652 6.1652
7.0508 7.0508 7.7244 7.7244 9.8591 9.8591 9.9276 9.9276
11.2707 11.2707
k = 0.3625 0.2093 0.1480 ( 4140 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3499 -36.3499 -36.3473 -36.3473
-36.0619 -36.0619 -36.0618 -36.0618 -36.0592 -36.0592 -36.0591 -36.0591
-10.6799 -10.6799 -10.6766 -10.6766 -8.1653 -8.1653 -8.1264 -8.1264
-8.1131 -8.1131 -1.9069 -1.9069 3.0059 3.0059 6.1452 6.1452
7.0301 7.0301 7.7009 7.7009 9.8281 9.8281 9.9016 9.9016
11.2329 11.2329
k = 0.3750 0.2165 0.1531 ( 4137 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3497 -36.3497 -36.3474 -36.3474
-36.0617 -36.0617 -36.0617 -36.0617 -36.0593 -36.0593 -36.0592 -36.0592
-10.6798 -10.6798 -10.6765 -10.6765 -8.1651 -8.1651 -8.1265 -8.1265
-8.1127 -8.1127 -1.8716 -1.8716 2.9145 2.9145 6.1268 6.1268
7.0111 7.0111 7.6794 7.6794 9.7990 9.7990 9.8768 9.8768
11.1979 11.1979
k = 0.3875 0.2237 0.1582 ( 4152 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3497 -36.3497 -36.3475 -36.3475
-36.0616 -36.0616 -36.0616 -36.0616 -36.0595 -36.0595 -36.0594 -36.0594
-10.6799 -10.6799 -10.6764 -10.6764 -8.1649 -8.1649 -8.1267 -8.1267
-8.1125 -8.1125 -1.8380 -1.8380 2.8300 2.8300 6.1102 6.1102
6.9939 6.9939 7.6599 7.6599 9.7721 9.7721 9.8536 9.8536
11.1659 11.1659
k = 0.4000 0.2309 0.1633 ( 4158 PWs) bands (ev):
-69.4085 -69.4085 -69.4082 -69.4082 -36.3495 -36.3495 -36.3477 -36.3477
-36.0615 -36.0615 -36.0615 -36.0615 -36.0596 -36.0596 -36.0595 -36.0595
-10.6799 -10.6799 -10.6763 -10.6763 -8.1647 -8.1647 -8.1268 -8.1268
-8.1122 -8.1122 -1.8066 -1.8066 2.7530 2.7530 6.0952 6.0952
6.9784 6.9784 7.6425 7.6425 9.7475 9.7475 9.8324 9.8324
11.1371 11.1371
k = 0.4125 0.2382 0.1684 ( 4149 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3494 -36.3494 -36.3478 -36.3478
-36.0614 -36.0614 -36.0613 -36.0613 -36.0597 -36.0597 -36.0596 -36.0596
-10.6798 -10.6798 -10.6761 -10.6761 -8.1645 -8.1645 -8.1268 -8.1268
-8.1119 -8.1119 -1.7777 -1.7777 2.6837 2.6837 6.0819 6.0819
6.9648 6.9648 7.6272 7.6272 9.7255 9.7255 9.8133 9.8133
11.1115 11.1115
k = 0.4250 0.2454 0.1735 ( 4146 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3493 -36.3493 -36.3479 -36.3479
-36.0613 -36.0613 -36.0612 -36.0612 -36.0598 -36.0598 -36.0597 -36.0597
-10.6798 -10.6798 -10.6760 -10.6760 -8.1643 -8.1643 -8.1269 -8.1269
-8.1116 -8.1116 -1.7517 -1.7517 2.6227 2.6227 6.0704 6.0704
6.9529 6.9529 7.6139 7.6139 9.7062 9.7062 9.7965 9.7965
11.0891 11.0891
k = 0.4375 0.2526 0.1786 ( 4140 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3492 -36.3492 -36.3480 -36.3480
-36.0611 -36.0611 -36.0611 -36.0611 -36.0599 -36.0599 -36.0599 -36.0599
-10.6797 -10.6797 -10.6758 -10.6758 -8.1641 -8.1641 -8.1269 -8.1269
-8.1114 -8.1114 -1.7289 -1.7289 2.5703 2.5703 6.0606 6.0606
6.9429 6.9429 7.6026 7.6026 9.6896 9.6896 9.7820 9.7820
11.0702 11.0702
k = 0.4500 0.2598 0.1837 ( 4140 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3481 -36.3481
-36.0610 -36.0610 -36.0610 -36.0610 -36.0600 -36.0600 -36.0600 -36.0600
-10.6797 -10.6797 -10.6757 -10.6757 -8.1640 -8.1640 -8.1270 -8.1270
-8.1112 -8.1112 -1.7098 -1.7098 2.5268 2.5268 6.0525 6.0525
6.9347 6.9347 7.5934 7.5934 9.6760 9.6760 9.7701 9.7701
11.0546 11.0546
k = 0.4625 0.2670 0.1888 ( 4137 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3489 -36.3489 -36.3482 -36.3482
-36.0609 -36.0609 -36.0609 -36.0609 -36.0601 -36.0601 -36.0601 -36.0601
-10.6797 -10.6797 -10.6756 -10.6756 -8.1639 -8.1639 -8.1270 -8.1270
-8.1110 -8.1110 -1.6946 -1.6946 2.4927 2.4927 6.0463 6.0463
6.9283 6.9283 7.5862 7.5862 9.6653 9.6653 9.7607 9.7607
11.0424 11.0424
k = 0.4750 0.2742 0.1939 ( 4128 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3483 -36.3483
-36.0607 -36.0607 -36.0607 -36.0607 -36.0602 -36.0602 -36.0602 -36.0602
-10.6796 -10.6796 -10.6755 -10.6755 -8.1638 -8.1638 -8.1270 -8.1270
-8.1109 -8.1109 -1.6836 -1.6836 2.4681 2.4681 6.0418 6.0418
6.9237 6.9237 7.5811 7.5811 9.6577 9.6577 9.7540 9.7540
11.0337 11.0337
k = 0.4875 0.2815 0.1990 ( 4140 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0606 -36.0606 -36.0606 -36.0606 -36.0604 -36.0604 -36.0604 -36.0604
-10.6797 -10.6797 -10.6756 -10.6756 -8.1638 -8.1638 -8.1271 -8.1271
-8.1109 -8.1109 -1.6769 -1.6769 2.4532 2.4532 6.0391 6.0391
6.9209 6.9209 7.5781 7.5781 9.6530 9.6530 9.7499 9.7499
11.0285 11.0285
k = 0.5000 0.2887 0.2041 ( 4140 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0606 -36.0606 -36.0605 -36.0605 -36.0605 -36.0605 -36.0605 -36.0605
-10.6797 -10.6797 -10.6756 -10.6756 -8.1638 -8.1638 -8.1271 -8.1271
-8.1109 -8.1109 -1.6746 -1.6746 2.4483 2.4483 6.0382 6.0382
6.9200 6.9200 7.5770 7.5770 9.6515 9.6515 9.7485 9.7485
11.0267 11.0267
k = 0.5000 0.2887 0.2041 ( 4140 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0606 -36.0606 -36.0605 -36.0605 -36.0605 -36.0605 -36.0605 -36.0605
-10.6797 -10.6797 -10.6756 -10.6756 -8.1638 -8.1638 -8.1271 -8.1271
-8.1109 -8.1109 -1.6746 -1.6746 2.4483 2.4483 6.0382 6.0382
6.9200 6.9200 7.5770 7.5770 9.6515 9.6515 9.7485 9.7485
11.0267 11.0267
k = 0.5043 0.2762 0.2112 ( 4140 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0606 -36.0606 -36.0606 -36.0606 -36.0604 -36.0604 -36.0604 -36.0604
-10.6797 -10.6797 -10.6756 -10.6756 -8.1637 -8.1637 -8.1271 -8.1271
-8.1109 -8.1109 -1.6739 -1.6739 2.4496 2.4496 6.0288 6.0288
6.8989 6.8989 7.6040 7.6040 9.6487 9.6487 9.7475 9.7475
11.0426 11.0426
k = 0.5086 0.2638 0.2182 ( 4128 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0607 -36.0607 -36.0607 -36.0607 -36.0603 -36.0603 -36.0602 -36.0602
-10.6795 -10.6795 -10.6755 -10.6755 -8.1636 -8.1636 -8.1269 -8.1269
-8.1109 -8.1109 -1.6718 -1.6718 2.4534 2.4534 6.0005 6.0005
6.8450 6.8450 7.6752 7.6752 9.6360 9.6360 9.7506 9.7506
11.0887 11.0887
k = 0.5129 0.2513 0.2252 ( 4129 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0608 -36.0608 -36.0608 -36.0608 -36.0602 -36.0602 -36.0601 -36.0601
-10.6795 -10.6795 -10.6755 -10.6755 -8.1636 -8.1636 -8.1269 -8.1269
-8.1109 -8.1109 -1.6683 -1.6683 2.4598 2.4598 5.9536 5.9536
6.7752 6.7752 7.7730 7.7730 9.6077 9.6077 9.7673 9.7673
11.1613 11.1613
k = 0.5172 0.2389 0.2323 ( 4124 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0609 -36.0609 -36.0609 -36.0609 -36.0601 -36.0601 -36.0600 -36.0600
-10.6795 -10.6795 -10.6755 -10.6755 -8.1635 -8.1635 -8.1267 -8.1267
-8.1110 -8.1110 -1.6634 -1.6634 2.4688 2.4688 5.8888 5.8888
6.7014 6.7014 7.8840 7.8840 9.5681 9.5681 9.7989 9.7989
11.2557 11.2557
k = 0.5216 0.2265 0.2393 ( 4118 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0610 -36.0610 -36.0610 -36.0610 -36.0599 -36.0599 -36.0599 -36.0599
-10.6793 -10.6793 -10.6755 -10.6755 -8.1634 -8.1634 -8.1265 -8.1265
-8.1110 -8.1110 -1.6571 -1.6571 2.4803 2.4803 5.8078 5.8078
6.6297 6.6297 7.9988 7.9988 9.5252 9.5252 9.8432 9.8432
11.3676 11.3676
k = 0.5259 0.2140 0.2464 ( 4124 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0612 -36.0612 -36.0611 -36.0611 -36.0598 -36.0598 -36.0598 -36.0598
-10.6793 -10.6793 -10.6755 -10.6755 -8.1634 -8.1634 -8.1264 -8.1264
-8.1112 -8.1112 -1.6496 -1.6496 2.4942 2.4942 5.7131 5.7131
6.5621 6.5621 8.1104 8.1104 9.4868 9.4868 9.8983 9.8983
11.4933 11.4933
k = 0.5302 0.2016 0.2534 ( 4122 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0613 -36.0613 -36.0612 -36.0612 -36.0597 -36.0597 -36.0597 -36.0597
-10.6792 -10.6792 -10.6755 -10.6755 -8.1632 -8.1632 -8.1262 -8.1262
-8.1113 -8.1113 -1.6407 -1.6407 2.5107 2.5107 5.6074 5.6074
6.4988 6.4988 8.2122 8.2122 9.4603 9.4603 9.9630 9.9630
11.6298 11.6298
k = 0.5345 0.1891 0.2604 ( 4116 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0614 -36.0614 -36.0613 -36.0613 -36.0596 -36.0596 -36.0596 -36.0596
-10.6791 -10.6791 -10.6755 -10.6755 -8.1631 -8.1631 -8.1260 -8.1260
-8.1114 -8.1114 -1.6307 -1.6307 2.5296 2.5296 5.4937 5.4937
6.4392 6.4392 8.2971 8.2971 9.4533 9.4533 10.0366 10.0366
11.7744 11.7744
k = 0.5388 0.1767 0.2675 ( 4124 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0615 -36.0615 -36.0614 -36.0614 -36.0595 -36.0595 -36.0595 -36.0595
-10.6791 -10.6791 -10.6755 -10.6755 -8.1630 -8.1630 -8.1258 -8.1258
-8.1116 -8.1116 -1.6194 -1.6194 2.5508 2.5508 5.3743 5.3743
6.3823 6.3823 8.3586 8.3586 9.4726 9.4726 10.1184 10.1184
11.9237 11.9237
k = 0.5431 0.1642 0.2745 ( 4129 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0616 -36.0616 -36.0615 -36.0615 -36.0594 -36.0594 -36.0594 -36.0594
-10.6790 -10.6790 -10.6756 -10.6756 -8.1629 -8.1629 -8.1256 -8.1256
-8.1118 -8.1118 -1.6071 -1.6071 2.5745 2.5745 5.2515 5.2515
6.3275 6.3275 8.3930 8.3930 9.5223 9.5223 10.2077 10.2077
12.0718 12.0718
k = 0.5474 0.1518 0.2816 ( 4127 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0617 -36.0617 -36.0616 -36.0616 -36.0593 -36.0593 -36.0593 -36.0593
-10.6789 -10.6789 -10.6756 -10.6756 -8.1628 -8.1628 -8.1253 -8.1253
-8.1119 -8.1119 -1.5937 -1.5937 2.6003 2.6003 5.1269 5.1269
6.2742 6.2742 8.4013 8.4013 9.6017 9.6017 10.3040 10.3040
12.2024 12.2024
k = 0.5517 0.1394 0.2886 ( 4127 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0618 -36.0618 -36.0617 -36.0617 -36.0592 -36.0592 -36.0592 -36.0592
-10.6788 -10.6788 -10.6756 -10.6756 -8.1627 -8.1627 -8.1250 -8.1250
-8.1121 -8.1121 -1.5794 -1.5794 2.6284 2.6284 5.0019 5.0019
6.2222 6.2222 8.3881 8.3881 9.7062 9.7062 10.4068 10.4068
12.2613 12.2613
k = 0.5560 0.1269 0.2956 ( 4127 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0619 -36.0619 -36.0618 -36.0618 -36.0591 -36.0591 -36.0591 -36.0591
-10.6787 -10.6787 -10.6755 -10.6755 -8.1626 -8.1626 -8.1247 -8.1247
-8.1123 -8.1123 -1.5643 -1.5643 2.6585 2.6585 4.8775 4.8775
6.1713 6.1713 8.3593 8.3593 9.8298 9.8298 10.5157 10.5157
12.1987 12.1987
k = 0.5603 0.1145 0.3027 ( 4131 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0620 -36.0620 -36.0619 -36.0619 -36.0591 -36.0591 -36.0590 -36.0590
-10.6786 -10.6786 -10.6756 -10.6756 -8.1625 -8.1625 -8.1244 -8.1244
-8.1125 -8.1125 -1.5484 -1.5484 2.6905 2.6905 4.7547 4.7547
6.1214 6.1214 8.3201 8.3201 9.9673 9.9673 10.6301 10.6301
12.0748 12.0748
k = 0.5647 0.1020 0.3097 ( 4129 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0621 -36.0621 -36.0619 -36.0619 -36.0590 -36.0590 -36.0589 -36.0589
-10.6785 -10.6785 -10.6755 -10.6755 -8.1623 -8.1623 -8.1240 -8.1240
-8.1127 -8.1127 -1.5319 -1.5319 2.7243 2.7243 4.6343 4.6343
6.0727 6.0727 8.2747 8.2747 10.1145 10.1145 10.7496 10.7496
11.9331 11.9331
k = 0.5690 0.0896 0.3167 ( 4124 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0622 -36.0622 -36.0620 -36.0620 -36.0589 -36.0589 -36.0588 -36.0588
-10.6784 -10.6784 -10.6755 -10.6755 -8.1622 -8.1622 -8.1236 -8.1236
-8.1129 -8.1129 -1.5149 -1.5149 2.7596 2.7596 4.5172 4.5172
6.0251 6.0251 8.2257 8.2257 10.2684 10.2684 10.8736 10.8736
11.7861 11.7861
k = 0.5733 0.0771 0.3238 ( 4122 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0623 -36.0623 -36.0620 -36.0620 -36.0589 -36.0589 -36.0587 -36.0587
-10.6783 -10.6783 -10.6754 -10.6754 -8.1620 -8.1620 -8.1232 -8.1232
-8.1131 -8.1131 -1.4976 -1.4976 2.7961 2.7961 4.4040 4.4040
5.9788 5.9788 8.1752 8.1752 10.4266 10.4266 11.0012 11.0012
11.6391 11.6391
k = 0.5776 0.0647 0.3308 ( 4120 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0624 -36.0624 -36.0621 -36.0621 -36.0588 -36.0588 -36.0586 -36.0586
-10.6782 -10.6782 -10.6754 -10.6754 -8.1619 -8.1619 -8.1229 -8.1229
-8.1133 -8.1133 -1.4802 -1.4802 2.8335 2.8335 4.2956 4.2956
5.9339 5.9339 8.1245 8.1245 10.5870 10.5870 11.1294 11.1294
11.4969 11.4969
k = 0.5819 0.0523 0.3379 ( 4124 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0625 -36.0625 -36.0622 -36.0622 -36.0587 -36.0587 -36.0585 -36.0585
-10.6781 -10.6781 -10.6754 -10.6754 -8.1618 -8.1618 -8.1225 -8.1225
-8.1135 -8.1135 -1.4627 -1.4627 2.8712 2.8712 4.1928 4.1928
5.8904 5.8904 8.0744 8.0744 10.7462 10.7462 11.2348 11.2348
11.3855 11.3855
k = 0.5862 0.0398 0.3449 ( 4128 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0625 -36.0625 -36.0622 -36.0622 -36.0587 -36.0587 -36.0584 -36.0584
-10.6781 -10.6781 -10.6754 -10.6754 -8.1618 -8.1618 -8.1222 -8.1222
-8.1137 -8.1137 -1.4454 -1.4454 2.9084 2.9084 4.0967 4.0967
5.8487 5.8487 8.0258 8.0258 10.8928 10.8928 11.1902 11.1902
11.4431 11.4431
k = 0.5905 0.0274 0.3519 ( 4130 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3484 -36.3484
-36.0626 -36.0626 -36.0623 -36.0623 -36.0586 -36.0586 -36.0583 -36.0583
-10.6781 -10.6781 -10.6753 -10.6753 -8.1617 -8.1617 -8.1219 -8.1219
-8.1138 -8.1138 -1.4285 -1.4285 2.9443 2.9443 4.0087 4.0087
5.8087 5.8087 7.9790 7.9790 10.9461 10.9461 11.1674 11.1674
11.5773 11.5773
k = 0.5948 0.0149 0.3590 ( 4130 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3484 -36.3484
-36.0627 -36.0627 -36.0623 -36.0623 -36.0586 -36.0586 -36.0582 -36.0582
-10.6780 -10.6780 -10.6753 -10.6753 -8.1617 -8.1617 -8.1215 -8.1215
-8.1140 -8.1140 -1.4122 -1.4122 2.9775 2.9775 3.9304 3.9304
5.7705 5.7705 7.9344 7.9344 10.8463 10.8463 11.2920 11.2920
11.7211 11.7211
k = 0.5991 0.0025 0.3660 ( 4134 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3484 -36.3484
-36.0628 -36.0628 -36.0624 -36.0624 -36.0586 -36.0586 -36.0582 -36.0582
-10.6780 -10.6780 -10.6753 -10.6753 -8.1617 -8.1617 -8.1212 -8.1212
-8.1142 -8.1142 -1.3968 -1.3968 3.0061 3.0061 3.8638 3.8638
5.7344 5.7344 7.8923 7.8923 10.7145 10.7145 11.4476 11.4476
11.8680 11.8680
k = 0.6034-0.0100 0.3731 ( 4131 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3484 -36.3484
-36.0629 -36.0629 -36.0624 -36.0624 -36.0585 -36.0585 -36.0581 -36.0581
-10.6780 -10.6780 -10.6752 -10.6752 -8.1616 -8.1616 -8.1209 -8.1209
-8.1143 -8.1143 -1.3824 -1.3824 3.0282 3.0282 3.8113 3.8113
5.7003 5.7003 7.8529 7.8529 10.5784 10.5784 11.6062 11.6062
12.0155 12.0155
k = 0.6078-0.0224 0.3801 ( 4129 PWs) bands (ev):
-69.4083 -69.4083 -69.4082 -69.4082 -36.3489 -36.3489 -36.3483 -36.3483
-36.0630 -36.0630 -36.0624 -36.0624 -36.0585 -36.0585 -36.0580 -36.0580
-10.6780 -10.6780 -10.6751 -10.6751 -8.1615 -8.1615 -8.1206 -8.1206
-8.1144 -8.1144 -1.3692 -1.3692 3.0416 3.0416 3.7752 3.7752
5.6685 5.6685 7.8163 7.8163 10.4424 10.4424 11.7619 11.7619
12.1608 12.1608
k = 0.6121-0.0348 0.3871 ( 4132 PWs) bands (ev):
-69.4083 -69.4083 -69.4082 -69.4082 -36.3489 -36.3489 -36.3483 -36.3483
-36.0630 -36.0630 -36.0624 -36.0624 -36.0585 -36.0585 -36.0579 -36.0579
-10.6780 -10.6780 -10.6750 -10.6750 -8.1616 -8.1616 -8.1204 -8.1204
-8.1145 -8.1145 -1.3577 -1.3577 3.0449 3.0449 3.7573 3.7573
5.6389 5.6389 7.7826 7.7826 10.3079 10.3079 11.9103 11.9103
12.2999 12.2999
k = 0.6164-0.0473 0.3942 ( 4136 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3489 -36.3489 -36.3483 -36.3483
-36.0631 -36.0631 -36.0624 -36.0624 -36.0585 -36.0585 -36.0578 -36.0578
-10.6781 -10.6781 -10.6750 -10.6750 -8.1616 -8.1616 -8.1202 -8.1202
-8.1146 -8.1146 -1.3479 -1.3479 3.0382 3.0382 3.7577 3.7577
5.6116 5.6116 7.7520 7.7520 10.1756 10.1756 12.0458 12.0458
12.4265 12.4265
k = 0.6207-0.0597 0.4012 ( 4136 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0632 -36.0632 -36.0624 -36.0624 -36.0585 -36.0585 -36.0578 -36.0578
-10.6781 -10.6781 -10.6749 -10.6749 -8.1616 -8.1616 -8.1200 -8.1200
-8.1146 -8.1146 -1.3400 -1.3400 3.0232 3.0232 3.7748 3.7748
5.5869 5.5869 7.7245 7.7245 10.0457 10.0457 12.1602 12.1602
12.5327 12.5327
k = 0.6250-0.0722 0.4082 ( 4149 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0633 -36.0633 -36.0624 -36.0624 -36.0586 -36.0586 -36.0577 -36.0577
-10.6782 -10.6782 -10.6750 -10.6750 -8.1618 -8.1618 -8.1200 -8.1200
-8.1147 -8.1147 -1.3345 -1.3345 3.0027 3.0027 3.8060 3.8060
5.5647 5.5647 7.7003 7.7003 9.9184 9.9184 12.2448 12.2448
12.6135 12.6135
k = 0.6250-0.0722 0.4082 ( 4149 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0633 -36.0633 -36.0624 -36.0624 -36.0586 -36.0586 -36.0577 -36.0577
-10.6782 -10.6782 -10.6750 -10.6750 -8.1618 -8.1618 -8.1200 -8.1200
-8.1147 -8.1147 -1.3345 -1.3345 3.0027 3.0027 3.8060 3.8060
5.5647 5.5647 7.7003 7.7003 9.9184 9.9184 12.2448 12.2448
12.6135 12.6135
k = 0.6176-0.0679 0.4203 ( 4137 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0633 -36.0633 -36.0624 -36.0624 -36.0586 -36.0586 -36.0577 -36.0577
-10.6781 -10.6781 -10.6749 -10.6749 -8.1617 -8.1617 -8.1199 -8.1199
-8.1146 -8.1146 -1.3342 -1.3342 3.0039 3.0039 3.8063 3.8063
5.5540 5.5540 7.7157 7.7157 9.9196 9.9196 12.2092 12.2092
12.5826 12.5826
k = 0.6103-0.0637 0.4323 ( 4132 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0632 -36.0632 -36.0624 -36.0624 -36.0585 -36.0585 -36.0577 -36.0577
-10.6780 -10.6780 -10.6749 -10.6749 -8.1616 -8.1616 -8.1199 -8.1199
-8.1146 -8.1146 -1.3334 -1.3334 3.0075 3.0075 3.8069 3.8069
5.5228 5.5228 7.7611 7.7611 9.9232 9.9232 12.1194 12.1194
12.4979 12.4979
k = 0.6029-0.0594 0.4443 ( 4132 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0632 -36.0632 -36.0624 -36.0624 -36.0585 -36.0585 -36.0577 -36.0577
-10.6780 -10.6780 -10.6749 -10.6749 -8.1616 -8.1616 -8.1198 -8.1198
-8.1147 -8.1147 -1.3321 -1.3321 3.0134 3.0134 3.8078 3.8078
5.4740 5.4740 7.8338 7.8338 9.9291 9.9291 12.0012 12.0012
12.3805 12.3805
k = 0.5956-0.0552 0.4563 ( 4130 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0632 -36.0632 -36.0624 -36.0624 -36.0585 -36.0585 -36.0577 -36.0577
-10.6780 -10.6780 -10.6749 -10.6749 -8.1616 -8.1616 -8.1197 -8.1197
-8.1147 -8.1147 -1.3303 -1.3303 3.0217 3.0217 3.8088 3.8088
5.4114 5.4114 7.9301 7.9301 9.9375 9.9375 11.8698 11.8698
12.2470 12.2470
k = 0.5882-0.0509 0.4683 ( 4139 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0632 -36.0632 -36.0625 -36.0625 -36.0585 -36.0585 -36.0577 -36.0577
-10.6780 -10.6780 -10.6749 -10.6749 -8.1616 -8.1616 -8.1197 -8.1197
-8.1149 -8.1149 -1.3280 -1.3280 3.0322 3.0322 3.8097 3.8097
5.3389 5.3389 8.0463 8.0463 9.9482 9.9482 11.7321 11.7321
12.1059 12.1059
k = 0.5809-0.0467 0.4803 ( 4135 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3483 -36.3483
-36.0632 -36.0632 -36.0625 -36.0625 -36.0585 -36.0585 -36.0577 -36.0577
-10.6780 -10.6780 -10.6749 -10.6749 -8.1615 -8.1615 -8.1196 -8.1196
-8.1150 -8.1150 -1.3253 -1.3253 3.0449 3.0449 3.8102 3.8102
5.2605 5.2605 8.1789 8.1789 9.9614 9.9614 11.5917 11.5917
11.9614 11.9614
k = 0.5735-0.0425 0.4923 ( 4137 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3489 -36.3489 -36.3483 -36.3483
-36.0632 -36.0632 -36.0625 -36.0625 -36.0585 -36.0585 -36.0578 -36.0578
-10.6779 -10.6779 -10.6750 -10.6750 -8.1614 -8.1614 -8.1195 -8.1195
-8.1152 -8.1152 -1.3223 -1.3223 3.0596 3.0596 3.8100 3.8100
5.1796 5.1796 8.3250 8.3250 9.9770 9.9770 11.4505 11.4505
11.8156 11.8156
k = 0.5662-0.0382 0.5043 ( 4138 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3489 -36.3489 -36.3483 -36.3483
-36.0632 -36.0632 -36.0625 -36.0625 -36.0584 -36.0584 -36.0578 -36.0578
-10.6779 -10.6779 -10.6750 -10.6750 -8.1614 -8.1614 -8.1193 -8.1193
-8.1153 -8.1153 -1.3191 -1.3191 3.0761 3.0761 3.8084 3.8084
5.0991 5.0991 8.4821 8.4821 9.9950 9.9950 11.3097 11.3097
11.6697 11.6697
k = 0.5588-0.0340 0.5163 ( 4140 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3489 -36.3489 -36.3483 -36.3483
-36.0631 -36.0631 -36.0626 -36.0626 -36.0584 -36.0584 -36.0578 -36.0578
-10.6779 -10.6779 -10.6750 -10.6750 -8.1613 -8.1613 -8.1192 -8.1192
-8.1155 -8.1155 -1.3156 -1.3156 3.0943 3.0943 3.8052 3.8052
5.0216 5.0216 8.6482 8.6482 10.0154 10.0154 11.1701 11.1701
11.5244 11.5244
k = 0.5515-0.0297 0.5283 ( 4137 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3489 -36.3489 -36.3484 -36.3484
-36.0631 -36.0631 -36.0626 -36.0626 -36.0584 -36.0584 -36.0578 -36.0578
-10.6778 -10.6778 -10.6751 -10.6751 -8.1613 -8.1613 -8.1190 -8.1190
-8.1157 -8.1157 -1.3121 -1.3121 3.1138 3.1138 3.7997 3.7997
4.9493 4.9493 8.8216 8.8216 10.0385 10.0385 11.0325 11.0325
11.3803 11.3803
k = 0.5441-0.0255 0.5403 ( 4135 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3484 -36.3484
-36.0631 -36.0631 -36.0626 -36.0626 -36.0583 -36.0583 -36.0579 -36.0579
-10.6778 -10.6778 -10.6751 -10.6751 -8.1612 -8.1612 -8.1188 -8.1188
-8.1159 -8.1159 -1.3086 -1.3086 3.1341 3.1341 3.7917 3.7917
4.8843 4.8843 9.0006 9.0006 10.0642 10.0642 10.8974 10.8974
11.2377 11.2377
k = 0.5368-0.0212 0.5523 ( 4136 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3484 -36.3484
-36.0631 -36.0631 -36.0627 -36.0627 -36.0583 -36.0583 -36.0579 -36.0579
-10.6777 -10.6777 -10.6751 -10.6751 -8.1612 -8.1612 -8.1186 -8.1186
-8.1161 -8.1161 -1.3053 -1.3053 3.1547 3.1547 3.7811 3.7811
4.8282 4.8282 9.1835 9.1835 10.0929 10.0929 10.7658 10.7658
11.0967 11.0967
k = 0.5294-0.0170 0.5643 ( 4146 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3485 -36.3485
-36.0631 -36.0631 -36.0627 -36.0627 -36.0583 -36.0583 -36.0579 -36.0579
-10.6778 -10.6778 -10.6752 -10.6752 -8.1612 -8.1612 -8.1184 -8.1184
-8.1164 -8.1164 -1.3022 -1.3022 3.1747 3.1747 3.7683 3.7683
4.7820 4.7820 9.3678 9.3678 10.1250 10.1250 10.6390 10.6390
10.9577 10.9577
k = 0.5221-0.0127 0.5764 ( 4146 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3485 -36.3485
-36.0630 -36.0630 -36.0627 -36.0627 -36.0582 -36.0582 -36.0580 -36.0580
-10.6778 -10.6778 -10.6752 -10.6752 -8.1612 -8.1612 -8.1182 -8.1182
-8.1166 -8.1166 -1.2996 -1.2996 3.1930 3.1930 3.7544 3.7544
4.7466 4.7466 9.5491 9.5491 10.1616 10.1616 10.5200 10.5200
10.8209 10.8209
k = 0.5147-0.0085 0.5884 ( 4146 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0630 -36.0630 -36.0628 -36.0628 -36.0582 -36.0582 -36.0580 -36.0580
-10.6777 -10.6777 -10.6752 -10.6752 -8.1611 -8.1611 -8.1180 -8.1180
-8.1169 -8.1169 -1.2975 -1.2975 3.2081 3.2081 3.7412 3.7412
4.7219 4.7219 9.7177 9.7177 10.2041 10.2041 10.4164 10.4164
10.6865 10.6865
k = 0.5074-0.0042 0.6004 ( 4146 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3486 -36.3486
-36.0629 -36.0629 -36.0628 -36.0628 -36.0582 -36.0582 -36.0580 -36.0580
-10.6777 -10.6777 -10.6752 -10.6752 -8.1611 -8.1611 -8.1178 -8.1178
-8.1171 -8.1171 -1.2961 -1.2961 3.2183 3.2183 3.7313 3.7313
4.7077 4.7077 9.8492 9.8492 10.2443 10.2443 10.3597 10.3597
10.5554 10.5554
k = 0.5000 0.0000 0.6124 ( 4156 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3486 -36.3486
-36.0629 -36.0629 -36.0629 -36.0629 -36.0581 -36.0581 -36.0581 -36.0581
-10.6778 -10.6778 -10.6753 -10.6753 -8.1612 -8.1612 -8.1177 -8.1177
-8.1172 -8.1172 -1.2957 -1.2957 3.2219 3.2219 3.7275 3.7275
4.7032 4.7032 9.8997 9.8997 10.2479 10.2479 10.4132 10.4132
10.4427 10.4427
k = 0.5000 0.0000 0.6124 ( 4156 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3486 -36.3486
-36.0629 -36.0629 -36.0629 -36.0629 -36.0581 -36.0581 -36.0581 -36.0581
-10.6778 -10.6778 -10.6753 -10.6753 -8.1612 -8.1612 -8.1177 -8.1177
-8.1172 -8.1172 -1.2957 -1.2957 3.2219 3.2219 3.7275 3.7275
4.7032 4.7032 9.8997 9.8997 10.2479 10.2479 10.4132 10.4132
10.4427 10.4427
k = 0.5000 0.0087 0.6000 ( 4146 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0629 -36.0629 -36.0628 -36.0628 -36.0581 -36.0581 -36.0581 -36.0581
-10.6778 -10.6778 -10.6752 -10.6752 -8.1611 -8.1611 -8.1178 -8.1178
-8.1171 -8.1171 -1.2967 -1.2967 3.2215 3.2215 3.7266 3.7266
4.7103 4.7103 9.8853 9.8853 10.2147 10.2147 10.4267 10.4267
10.4823 10.4823
k = 0.5000 0.0175 0.5876 ( 4142 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0629 -36.0629 -36.0628 -36.0628 -36.0581 -36.0581 -36.0581 -36.0581
-10.6777 -10.6777 -10.6752 -10.6752 -8.1611 -8.1611 -8.1181 -8.1181
-8.1168 -8.1168 -1.2997 -1.2997 3.2199 3.2199 3.7246 3.7246
4.7310 4.7310 9.8472 9.8472 10.1468 10.1468 10.4720 10.4720
10.5599 10.5599
k = 0.5000 0.0262 0.5753 ( 4146 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0629 -36.0629 -36.0628 -36.0628 -36.0581 -36.0581 -36.0581 -36.0581
-10.6777 -10.6777 -10.6752 -10.6752 -8.1611 -8.1611 -8.1184 -8.1184
-8.1165 -8.1165 -1.3048 -1.3048 3.2161 3.2161 3.7236 3.7236
4.7644 4.7644 9.7946 9.7946 10.0705 10.0705 10.5392 10.5392
10.6496 10.6496
k = 0.5000 0.0350 0.5629 ( 4142 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0629 -36.0629 -36.0628 -36.0628 -36.0582 -36.0582 -36.0581 -36.0581
-10.6777 -10.6777 -10.6752 -10.6752 -8.1611 -8.1611 -8.1187 -8.1187
-8.1163 -8.1163 -1.3118 -1.3118 3.2087 3.2087 3.7263 3.7263
4.8088 4.8088 9.7348 9.7348 9.9930 9.9930 10.6200 10.6200
10.7454 10.7454
k = 0.5000 0.0437 0.5505 ( 4136 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0628 -36.0628 -36.0628 -36.0628 -36.0582 -36.0582 -36.0581 -36.0581
-10.6777 -10.6777 -10.6752 -10.6752 -8.1611 -8.1611 -8.1190 -8.1190
-8.1159 -8.1159 -1.3206 -1.3206 3.1964 3.1964 3.7357 3.7357
4.8625 4.8625 9.6723 9.6723 9.9162 9.9162 10.7098 10.7098
10.8451 10.8451
k = 0.5000 0.0525 0.5381 ( 4136 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0628 -36.0628 -36.0627 -36.0627 -36.0582 -36.0582 -36.0582 -36.0582
-10.6777 -10.6777 -10.6752 -10.6752 -8.1612 -8.1612 -8.1193 -8.1193
-8.1157 -8.1157 -1.3311 -1.3311 3.1781 3.1781 3.7540 3.7540
4.9241 4.9241 9.6095 9.6095 9.8410 9.8410 10.8058 10.8058
10.9482 10.9482
k = 0.5000 0.0612 0.5258 ( 4134 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0628 -36.0628 -36.0627 -36.0627 -36.0582 -36.0582 -36.0582 -36.0582
-10.6778 -10.6778 -10.6752 -10.6752 -8.1612 -8.1612 -8.1197 -8.1197
-8.1154 -8.1154 -1.3432 -1.3432 3.1538 3.1538 3.7825 3.7825
4.9919 4.9919 9.5480 9.5480 9.7677 9.7677 10.9067 10.9067
11.0540 11.0540
k = 0.5000 0.0700 0.5134 ( 4132 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0627 -36.0627 -36.0627 -36.0627 -36.0583 -36.0583 -36.0582 -36.0582
-10.6778 -10.6778 -10.6752 -10.6752 -8.1613 -8.1613 -8.1201 -8.1201
-8.1151 -8.1151 -1.3567 -1.3567 3.1240 3.1240 3.8215 3.8215
5.0648 5.0648 9.4886 9.4886 9.6965 9.6965 11.0115 11.0115
11.1621 11.1621
k = 0.5000 0.0787 0.5010 ( 4136 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0627 -36.0627 -36.0626 -36.0626 -36.0583 -36.0583 -36.0583 -36.0583
-10.6778 -10.6778 -10.6753 -10.6753 -8.1614 -8.1614 -8.1205 -8.1205
-8.1149 -8.1149 -1.3713 -1.3713 3.0897 3.0897 3.8707 3.8707
5.1418 5.1418 9.4317 9.4317 9.6275 9.6275 11.1195 11.1195
11.2720 11.2720
k = 0.5000 0.0875 0.4887 ( 4126 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0626 -36.0626 -36.0626 -36.0626 -36.0584 -36.0584 -36.0583 -36.0583
-10.6778 -10.6778 -10.6753 -10.6753 -8.1614 -8.1614 -8.1208 -8.1208
-8.1146 -8.1146 -1.3870 -1.3870 3.0522 3.0522 3.9294 3.9294
5.2220 5.2220 9.3777 9.3777 9.5611 9.5611 11.2302 11.2302
11.3827 11.3827
k = 0.5000 0.0962 0.4763 ( 4122 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0626 -36.0626 -36.0625 -36.0625 -36.0584 -36.0584 -36.0584 -36.0584
-10.6778 -10.6778 -10.6753 -10.6753 -8.1614 -8.1614 -8.1211 -8.1211
-8.1144 -8.1144 -1.4036 -1.4036 3.0125 3.0125 3.9968 3.9968
5.3045 5.3045 9.3264 9.3264 9.4974 9.4974 11.3435 11.3435
11.4923 11.4923
k = 0.5000 0.1050 0.4639 ( 4128 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0625 -36.0625 -36.0624 -36.0624 -36.0585 -36.0585 -36.0584 -36.0584
-10.6779 -10.6779 -10.6754 -10.6754 -8.1616 -8.1616 -8.1216 -8.1216
-8.1142 -8.1142 -1.4208 -1.4208 2.9715 2.9715 4.0720 4.0720
5.3887 5.3887 9.2773 9.2773 9.4371 9.4371 11.4587 11.4587
11.5970 11.5970
k = 0.5000 0.1137 0.4515 ( 4126 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0624 -36.0624 -36.0624 -36.0624 -36.0585 -36.0585 -36.0585 -36.0585
-10.6780 -10.6780 -10.6754 -10.6754 -8.1616 -8.1616 -8.1220 -8.1220
-8.1139 -8.1139 -1.4385 -1.4385 2.9300 2.9300 4.1545 4.1545
5.4739 5.4739 9.2296 9.2296 9.3814 9.3814 11.5752 11.5752
11.6859 11.6859
k = 0.5000 0.1225 0.4392 ( 4118 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0624 -36.0624 -36.0623 -36.0623 -36.0586 -36.0586 -36.0586 -36.0586
-10.6780 -10.6780 -10.6754 -10.6754 -8.1617 -8.1617 -8.1223 -8.1223
-8.1136 -8.1136 -1.4564 -1.4564 2.8887 2.8887 4.2435 4.2435
5.5597 5.5597 9.1816 9.1816 9.3317 9.3317 11.6861 11.6861
11.7334 11.7334
k = 0.5000 0.1312 0.4268 ( 4118 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3486 -36.3486
-36.0623 -36.0623 -36.0622 -36.0622 -36.0587 -36.0587 -36.0586 -36.0586
-10.6781 -10.6781 -10.6754 -10.6754 -8.1618 -8.1618 -8.1227 -8.1227
-8.1134 -8.1134 -1.4745 -1.4745 2.8480 2.8480 4.3386 4.3386
5.6454 5.6454 9.1314 9.1314 9.2900 9.2900 11.6575 11.6575
11.8206 11.8206
k = 0.5000 0.1400 0.4144 ( 4116 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0622 -36.0622 -36.0621 -36.0621 -36.0588 -36.0588 -36.0587 -36.0587
-10.6782 -10.6782 -10.6754 -10.6754 -8.1619 -8.1619 -8.1231 -8.1231
-8.1131 -8.1131 -1.4926 -1.4926 2.8083 2.8083 4.4391 4.4391
5.7305 5.7305 9.0774 9.0774 9.2577 9.2577 11.5135 11.5135
11.9399 11.9399
k = 0.5000 0.1487 0.4021 ( 4116 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0621 -36.0621 -36.0621 -36.0621 -36.0588 -36.0588 -36.0588 -36.0588
-10.6783 -10.6783 -10.6754 -10.6754 -8.1621 -8.1621 -8.1235 -8.1235
-8.1129 -8.1129 -1.5104 -1.5104 2.7699 2.7699 4.5445 4.5445
5.8146 5.8146 9.0189 9.0189 9.2352 9.2352 11.3377 11.3377
12.0601 12.0601
k = 0.5000 0.1575 0.3897 ( 4116 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0620 -36.0620 -36.0620 -36.0620 -36.0589 -36.0589 -36.0589 -36.0589
-10.6784 -10.6784 -10.6755 -10.6755 -8.1622 -8.1622 -8.1238 -8.1238
-8.1127 -8.1127 -1.5279 -1.5279 2.7331 2.7331 4.6544 4.6544
5.8971 5.8971 8.9560 8.9560 9.2221 9.2221 11.1551 11.1551
12.1781 12.1781
k = 0.5000 0.1662 0.3773 ( 4118 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0620 -36.0620 -36.0619 -36.0619 -36.0590 -36.0590 -36.0590 -36.0590
-10.6785 -10.6785 -10.6755 -10.6755 -8.1623 -8.1623 -8.1242 -8.1242
-8.1125 -8.1125 -1.5448 -1.5448 2.6980 2.6980 4.7680 4.7680
5.9778 5.9778 8.8884 8.8884 9.2179 9.2179 10.9746 10.9746
12.2871 12.2871
k = 0.5000 0.1750 0.3649 ( 4124 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0619 -36.0619 -36.0618 -36.0618 -36.0591 -36.0591 -36.0591 -36.0591
-10.6787 -10.6787 -10.6755 -10.6755 -8.1625 -8.1625 -8.1246 -8.1246
-8.1123 -8.1123 -1.5611 -1.5611 2.6649 2.6649 4.8849 4.8849
6.0563 6.0563 8.8159 8.8159 9.2222 9.2222 10.8005 10.8005
12.3630 12.3630
k = 0.5000 0.1837 0.3526 ( 4120 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0618 -36.0618 -36.0617 -36.0617 -36.0592 -36.0592 -36.0592 -36.0592
-10.6787 -10.6787 -10.6755 -10.6755 -8.1626 -8.1626 -8.1249 -8.1249
-8.1121 -8.1121 -1.5767 -1.5767 2.6338 2.6338 5.0042 5.0042
6.1324 6.1324 8.7379 8.7379 9.2348 9.2348 10.6354 10.6354
12.3447 12.3447
k = 0.5000 0.1925 0.3402 ( 4112 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0617 -36.0617 -36.0616 -36.0616 -36.0593 -36.0593 -36.0592 -36.0592
-10.6788 -10.6788 -10.6755 -10.6755 -8.1627 -8.1627 -8.1251 -8.1251
-8.1119 -8.1119 -1.5914 -1.5914 2.6049 2.6049 5.1252 5.1252
6.2060 6.2060 8.6538 8.6538 9.2554 9.2554 10.4815 10.4815
12.2351 12.2351
k = 0.5000 0.2012 0.3278 ( 4122 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0616 -36.0616 -36.0615 -36.0615 -36.0594 -36.0594 -36.0594 -36.0594
-10.6789 -10.6789 -10.6755 -10.6755 -8.1629 -8.1629 -8.1255 -8.1255
-8.1118 -8.1118 -1.6051 -1.6051 2.5782 2.5782 5.2467 5.2467
6.2772 6.2772 8.5629 8.5629 9.2835 9.2835 10.3402 10.3402
12.0919 12.0919
k = 0.5000 0.2099 0.3155 ( 4122 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0615 -36.0615 -36.0614 -36.0614 -36.0595 -36.0595 -36.0595 -36.0595
-10.6790 -10.6790 -10.6755 -10.6755 -8.1630 -8.1630 -8.1257 -8.1257
-8.1116 -8.1116 -1.6178 -1.6178 2.5539 2.5539 5.3675 5.3675
6.3465 6.3465 8.4648 8.4648 9.3189 9.3189 10.2130 10.2130
11.9402 11.9402
k = 0.5000 0.2187 0.3031 ( 4118 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0614 -36.0614 -36.0613 -36.0613 -36.0596 -36.0596 -36.0596 -36.0596
-10.6791 -10.6791 -10.6755 -10.6755 -8.1631 -8.1631 -8.1260 -8.1260
-8.1114 -8.1114 -1.6294 -1.6294 2.5320 2.5320 5.4858 5.4858
6.4145 6.4145 8.3596 8.3596 9.3606 9.3606 10.1007 10.1007
11.7891 11.7891
k = 0.5000 0.2274 0.2907 ( 4120 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0613 -36.0613 -36.0612 -36.0612 -36.0597 -36.0597 -36.0597 -36.0597
-10.6792 -10.6792 -10.6755 -10.6755 -8.1632 -8.1632 -8.1262 -8.1262
-8.1113 -8.1113 -1.6398 -1.6398 2.5125 2.5125 5.5995 5.5995
6.4823 6.4823 8.2479 8.2479 9.4077 9.4077 10.0038 10.0038
11.6427 11.6427
k = 0.5000 0.2362 0.2784 ( 4114 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0611 -36.0611 -36.0611 -36.0611 -36.0598 -36.0598 -36.0598 -36.0598
-10.6792 -10.6792 -10.6754 -10.6754 -8.1633 -8.1633 -8.1263 -8.1263
-8.1111 -8.1111 -1.6488 -1.6488 2.4956 2.4956 5.7059 5.7059
6.5511 6.5511 8.1310 8.1310 9.4586 9.4586 9.9223 9.9223
11.5041 11.5041
k = 0.5000 0.2449 0.2660 ( 4118 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0610 -36.0610 -36.0610 -36.0610 -36.0599 -36.0599 -36.0599 -36.0599
-10.6793 -10.6793 -10.6755 -10.6755 -8.1634 -8.1634 -8.1265 -8.1265
-8.1110 -8.1110 -1.6566 -1.6566 2.4812 2.4812 5.8020 5.8020
6.6223 6.6223 8.0112 8.0112 9.5110 9.5110 9.8560 9.8560
11.3760 11.3760
k = 0.5000 0.2537 0.2536 ( 4122 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0609 -36.0609 -36.0609 -36.0609 -36.0600 -36.0600 -36.0600 -36.0600
-10.6794 -10.6794 -10.6755 -10.6755 -8.1635 -8.1635 -8.1267 -8.1267
-8.1110 -8.1110 -1.6631 -1.6631 2.4694 2.4694 5.8847 5.8847
6.6963 6.6963 7.8919 7.8919 9.5614 9.5614 9.8048 9.8048
11.2617 11.2617
k = 0.5000 0.2624 0.2412 ( 4124 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0608 -36.0608 -36.0608 -36.0608 -36.0602 -36.0602 -36.0601 -36.0601
-10.6795 -10.6795 -10.6755 -10.6755 -8.1636 -8.1636 -8.1268 -8.1268
-8.1109 -8.1109 -1.6681 -1.6681 2.4602 2.4602 5.9511 5.9511
6.7718 6.7718 7.7780 7.7780 9.6050 9.6050 9.7694 9.7694
11.1650 11.1650
k = 0.5000 0.2712 0.2289 ( 4128 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0607 -36.0607 -36.0607 -36.0607 -36.0603 -36.0603 -36.0602 -36.0602
-10.6795 -10.6795 -10.6755 -10.6755 -8.1636 -8.1636 -8.1269 -8.1269
-8.1109 -8.1109 -1.6717 -1.6717 2.4536 2.4536 5.9994 5.9994
6.8431 6.8431 7.6778 7.6778 9.6352 9.6352 9.7510 9.7510
11.0905 11.0905
k = 0.5000 0.2799 0.2165 ( 4136 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0606 -36.0606 -36.0606 -36.0606 -36.0604 -36.0604 -36.0604 -36.0604
-10.6796 -10.6796 -10.6756 -10.6756 -8.1637 -8.1637 -8.1270 -8.1270
-8.1109 -8.1109 -1.6739 -1.6739 2.4496 2.4496 6.0285 6.0285
6.8983 6.8983 7.6047 7.6047 9.6487 9.6487 9.7475 9.7475
11.0431 11.0431
k = 0.5000 0.2887 0.2041 ( 4140 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0606 -36.0606 -36.0605 -36.0605 -36.0605 -36.0605 -36.0605 -36.0605
-10.6797 -10.6797 -10.6756 -10.6756 -8.1638 -8.1638 -8.1271 -8.1271
-8.1109 -8.1109 -1.6746 -1.6746 2.4483 2.4483 6.0382 6.0382
6.9200 6.9200 7.5770 7.5770 9.6515 9.6515 9.7485 9.7485
11.0267 11.0267
k = 0.5000 0.2887 0.2041 ( 4140 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0606 -36.0606 -36.0605 -36.0605 -36.0605 -36.0605 -36.0605 -36.0605
-10.6797 -10.6797 -10.6756 -10.6756 -8.1638 -8.1638 -8.1271 -8.1271
-8.1109 -8.1109 -1.6746 -1.6746 2.4483 2.4483 6.0382 6.0382
6.9200 6.9200 7.5770 7.5770 9.6515 9.6515 9.7485 9.7485
11.0267 11.0267
k = 0.4957 0.2862 0.2182 ( 4140 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0606 -36.0606 -36.0606 -36.0606 -36.0604 -36.0604 -36.0604 -36.0604
-10.6797 -10.6797 -10.6756 -10.6756 -8.1637 -8.1637 -8.1271 -8.1271
-8.1109 -8.1109 -1.6739 -1.6739 2.4496 2.4496 6.0288 6.0288
6.8989 6.8989 7.6040 7.6040 9.6487 9.6487 9.7475 9.7475
11.0426 11.0426
k = 0.4914 0.2837 0.2323 ( 4128 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0607 -36.0607 -36.0607 -36.0607 -36.0603 -36.0603 -36.0602 -36.0602
-10.6795 -10.6795 -10.6755 -10.6755 -8.1636 -8.1636 -8.1269 -8.1269
-8.1109 -8.1109 -1.6718 -1.6718 2.4534 2.4534 6.0005 6.0005
6.8450 6.8450 7.6752 7.6752 9.6360 9.6360 9.7506 9.7506
11.0887 11.0887
k = 0.4871 0.2812 0.2464 ( 4129 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0608 -36.0608 -36.0608 -36.0608 -36.0602 -36.0602 -36.0601 -36.0601
-10.6795 -10.6795 -10.6755 -10.6755 -8.1636 -8.1636 -8.1269 -8.1269
-8.1109 -8.1109 -1.6683 -1.6683 2.4598 2.4598 5.9536 5.9536
6.7752 6.7752 7.7730 7.7730 9.6077 9.6077 9.7673 9.7673
11.1613 11.1613
k = 0.4828 0.2787 0.2604 ( 4124 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0609 -36.0609 -36.0609 -36.0609 -36.0601 -36.0601 -36.0600 -36.0600
-10.6795 -10.6795 -10.6755 -10.6755 -8.1635 -8.1635 -8.1267 -8.1267
-8.1110 -8.1110 -1.6634 -1.6634 2.4688 2.4688 5.8888 5.8888
6.7014 6.7014 7.8840 7.8840 9.5681 9.5681 9.7989 9.7989
11.2557 11.2557
k = 0.4784 0.2762 0.2745 ( 4118 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0610 -36.0610 -36.0610 -36.0610 -36.0599 -36.0599 -36.0599 -36.0599
-10.6793 -10.6793 -10.6755 -10.6755 -8.1634 -8.1634 -8.1265 -8.1265
-8.1110 -8.1110 -1.6571 -1.6571 2.4803 2.4803 5.8078 5.8078
6.6297 6.6297 7.9988 7.9988 9.5252 9.5252 9.8432 9.8432
11.3676 11.3676
k = 0.4741 0.2737 0.2886 ( 4124 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0612 -36.0612 -36.0611 -36.0611 -36.0598 -36.0598 -36.0598 -36.0598
-10.6793 -10.6793 -10.6755 -10.6755 -8.1634 -8.1634 -8.1264 -8.1264
-8.1112 -8.1112 -1.6496 -1.6496 2.4942 2.4942 5.7131 5.7131
6.5621 6.5621 8.1104 8.1104 9.4868 9.4868 9.8983 9.8983
11.4933 11.4933
k = 0.4698 0.2713 0.3027 ( 4122 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0613 -36.0613 -36.0612 -36.0612 -36.0597 -36.0597 -36.0597 -36.0597
-10.6792 -10.6792 -10.6755 -10.6755 -8.1632 -8.1632 -8.1262 -8.1262
-8.1113 -8.1113 -1.6407 -1.6407 2.5107 2.5107 5.6074 5.6074
6.4988 6.4988 8.2122 8.2122 9.4603 9.4603 9.9630 9.9630
11.6298 11.6298
k = 0.4655 0.2688 0.3167 ( 4116 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0614 -36.0614 -36.0613 -36.0613 -36.0596 -36.0596 -36.0596 -36.0596
-10.6791 -10.6791 -10.6755 -10.6755 -8.1631 -8.1631 -8.1260 -8.1260
-8.1114 -8.1114 -1.6307 -1.6307 2.5296 2.5296 5.4937 5.4937
6.4392 6.4392 8.2971 8.2971 9.4533 9.4533 10.0366 10.0366
11.7744 11.7744
k = 0.4612 0.2663 0.3308 ( 4124 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0615 -36.0615 -36.0614 -36.0614 -36.0595 -36.0595 -36.0595 -36.0595
-10.6791 -10.6791 -10.6755 -10.6755 -8.1630 -8.1630 -8.1258 -8.1258
-8.1116 -8.1116 -1.6194 -1.6194 2.5508 2.5508 5.3743 5.3743
6.3823 6.3823 8.3586 8.3586 9.4726 9.4726 10.1184 10.1184
11.9237 11.9237
k = 0.4569 0.2638 0.3449 ( 4129 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0616 -36.0616 -36.0615 -36.0615 -36.0594 -36.0594 -36.0594 -36.0594
-10.6790 -10.6790 -10.6756 -10.6756 -8.1629 -8.1629 -8.1256 -8.1256
-8.1118 -8.1118 -1.6071 -1.6071 2.5745 2.5745 5.2515 5.2515
6.3275 6.3275 8.3930 8.3930 9.5223 9.5223 10.2077 10.2077
12.0718 12.0718
k = 0.4526 0.2613 0.3590 ( 4127 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0617 -36.0617 -36.0616 -36.0616 -36.0593 -36.0593 -36.0593 -36.0593
-10.6789 -10.6789 -10.6756 -10.6756 -8.1628 -8.1628 -8.1253 -8.1253
-8.1119 -8.1119 -1.5937 -1.5937 2.6003 2.6003 5.1269 5.1269
6.2742 6.2742 8.4013 8.4013 9.6017 9.6017 10.3040 10.3040
12.2024 12.2024
k = 0.4483 0.2588 0.3731 ( 4127 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0618 -36.0618 -36.0617 -36.0617 -36.0592 -36.0592 -36.0592 -36.0592
-10.6788 -10.6788 -10.6756 -10.6756 -8.1627 -8.1627 -8.1250 -8.1250
-8.1121 -8.1121 -1.5794 -1.5794 2.6284 2.6284 5.0019 5.0019
6.2222 6.2222 8.3881 8.3881 9.7062 9.7062 10.4068 10.4068
12.2613 12.2613
k = 0.4440 0.2563 0.3871 ( 4127 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0619 -36.0619 -36.0618 -36.0618 -36.0591 -36.0591 -36.0591 -36.0591
-10.6787 -10.6787 -10.6755 -10.6755 -8.1626 -8.1626 -8.1247 -8.1247
-8.1123 -8.1123 -1.5643 -1.5643 2.6585 2.6585 4.8775 4.8775
6.1713 6.1713 8.3593 8.3593 9.8298 9.8298 10.5157 10.5157
12.1987 12.1987
k = 0.4397 0.2538 0.4012 ( 4131 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3486 -36.3486 -36.3485 -36.3485
-36.0620 -36.0620 -36.0619 -36.0619 -36.0591 -36.0591 -36.0590 -36.0590
-10.6786 -10.6786 -10.6756 -10.6756 -8.1625 -8.1625 -8.1244 -8.1244
-8.1125 -8.1125 -1.5484 -1.5484 2.6905 2.6905 4.7547 4.7547
6.1214 6.1214 8.3201 8.3201 9.9673 9.9673 10.6301 10.6301
12.0748 12.0748
k = 0.4353 0.2513 0.4153 ( 4129 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0621 -36.0621 -36.0619 -36.0619 -36.0590 -36.0590 -36.0589 -36.0589
-10.6785 -10.6785 -10.6755 -10.6755 -8.1623 -8.1623 -8.1240 -8.1240
-8.1127 -8.1127 -1.5319 -1.5319 2.7243 2.7243 4.6343 4.6343
6.0727 6.0727 8.2747 8.2747 10.1145 10.1145 10.7496 10.7496
11.9331 11.9331
k = 0.4310 0.2489 0.4294 ( 4124 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0622 -36.0622 -36.0620 -36.0620 -36.0589 -36.0589 -36.0588 -36.0588
-10.6784 -10.6784 -10.6755 -10.6755 -8.1622 -8.1622 -8.1236 -8.1236
-8.1129 -8.1129 -1.5149 -1.5149 2.7596 2.7596 4.5172 4.5172
6.0251 6.0251 8.2257 8.2257 10.2684 10.2684 10.8736 10.8736
11.7861 11.7861
k = 0.4267 0.2464 0.4434 ( 4122 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0623 -36.0623 -36.0620 -36.0620 -36.0589 -36.0589 -36.0587 -36.0587
-10.6783 -10.6783 -10.6754 -10.6754 -8.1620 -8.1620 -8.1232 -8.1232
-8.1131 -8.1131 -1.4976 -1.4976 2.7961 2.7961 4.4040 4.4040
5.9788 5.9788 8.1752 8.1752 10.4266 10.4266 11.0012 11.0012
11.6391 11.6391
k = 0.4224 0.2439 0.4575 ( 4120 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0624 -36.0624 -36.0621 -36.0621 -36.0588 -36.0588 -36.0586 -36.0586
-10.6782 -10.6782 -10.6754 -10.6754 -8.1619 -8.1619 -8.1229 -8.1229
-8.1133 -8.1133 -1.4802 -1.4802 2.8335 2.8335 4.2956 4.2956
5.9339 5.9339 8.1245 8.1245 10.5870 10.5870 11.1294 11.1294
11.4969 11.4969
k = 0.4181 0.2414 0.4716 ( 4124 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0625 -36.0625 -36.0622 -36.0622 -36.0587 -36.0587 -36.0585 -36.0585
-10.6781 -10.6781 -10.6754 -10.6754 -8.1618 -8.1618 -8.1225 -8.1225
-8.1135 -8.1135 -1.4627 -1.4627 2.8712 2.8712 4.1928 4.1928
5.8904 5.8904 8.0744 8.0744 10.7462 10.7462 11.2348 11.2348
11.3855 11.3855
k = 0.4138 0.2389 0.4857 ( 4128 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3485 -36.3485
-36.0625 -36.0625 -36.0622 -36.0622 -36.0587 -36.0587 -36.0584 -36.0584
-10.6781 -10.6781 -10.6754 -10.6754 -8.1618 -8.1618 -8.1222 -8.1222
-8.1137 -8.1137 -1.4454 -1.4454 2.9084 2.9084 4.0967 4.0967
5.8487 5.8487 8.0258 8.0258 10.8928 10.8928 11.1902 11.1902
11.4431 11.4431
k = 0.4095 0.2364 0.4998 ( 4130 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3487 -36.3487 -36.3484 -36.3484
-36.0626 -36.0626 -36.0623 -36.0623 -36.0586 -36.0586 -36.0583 -36.0583
-10.6781 -10.6781 -10.6753 -10.6753 -8.1617 -8.1617 -8.1219 -8.1219
-8.1138 -8.1138 -1.4285 -1.4285 2.9443 2.9443 4.0087 4.0087
5.8087 5.8087 7.9790 7.9790 10.9461 10.9461 11.1674 11.1674
11.5773 11.5773
k = 0.4052 0.2339 0.5138 ( 4130 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3484 -36.3484
-36.0627 -36.0627 -36.0623 -36.0623 -36.0586 -36.0586 -36.0582 -36.0582
-10.6780 -10.6780 -10.6753 -10.6753 -8.1617 -8.1617 -8.1215 -8.1215
-8.1140 -8.1140 -1.4122 -1.4122 2.9775 2.9775 3.9304 3.9304
5.7705 5.7705 7.9344 7.9344 10.8463 10.8463 11.2920 11.2920
11.7211 11.7211
k = 0.4009 0.2314 0.5279 ( 4134 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3484 -36.3484
-36.0628 -36.0628 -36.0624 -36.0624 -36.0586 -36.0586 -36.0582 -36.0582
-10.6780 -10.6780 -10.6753 -10.6753 -8.1617 -8.1617 -8.1212 -8.1212
-8.1142 -8.1142 -1.3968 -1.3968 3.0061 3.0061 3.8638 3.8638
5.7344 5.7344 7.8923 7.8923 10.7145 10.7145 11.4476 11.4476
11.8680 11.8680
k = 0.3966 0.2289 0.5420 ( 4131 PWs) bands (ev):
-69.4083 -69.4083 -69.4083 -69.4083 -36.3488 -36.3488 -36.3484 -36.3484
-36.0629 -36.0629 -36.0624 -36.0624 -36.0585 -36.0585 -36.0581 -36.0581
-10.6780 -10.6780 -10.6752 -10.6752 -8.1616 -8.1616 -8.1209 -8.1209
-8.1143 -8.1143 -1.3824 -1.3824 3.0282 3.0282 3.8113 3.8113
5.7003 5.7003 7.8529 7.8529 10.5784 10.5784 11.6062 11.6062
12.0155 12.0155
k = 0.3922 0.2265 0.5561 ( 4129 PWs) bands (ev):
-69.4083 -69.4083 -69.4082 -69.4082 -36.3489 -36.3489 -36.3483 -36.3483
-36.0630 -36.0630 -36.0624 -36.0624 -36.0585 -36.0585 -36.0580 -36.0580
-10.6780 -10.6780 -10.6751 -10.6751 -8.1615 -8.1615 -8.1206 -8.1206
-8.1144 -8.1144 -1.3692 -1.3692 3.0416 3.0416 3.7752 3.7752
5.6685 5.6685 7.8163 7.8163 10.4424 10.4424 11.7619 11.7619
12.1608 12.1608
k = 0.3879 0.2240 0.5701 ( 4132 PWs) bands (ev):
-69.4083 -69.4083 -69.4082 -69.4082 -36.3489 -36.3489 -36.3483 -36.3483
-36.0630 -36.0630 -36.0624 -36.0624 -36.0585 -36.0585 -36.0579 -36.0579
-10.6780 -10.6780 -10.6750 -10.6750 -8.1616 -8.1616 -8.1204 -8.1204
-8.1145 -8.1145 -1.3577 -1.3577 3.0449 3.0449 3.7573 3.7573
5.6389 5.6389 7.7826 7.7826 10.3079 10.3079 11.9103 11.9103
12.2999 12.2999
k = 0.3836 0.2215 0.5842 ( 4136 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3489 -36.3489 -36.3483 -36.3483
-36.0631 -36.0631 -36.0624 -36.0624 -36.0585 -36.0585 -36.0578 -36.0578
-10.6781 -10.6781 -10.6750 -10.6750 -8.1616 -8.1616 -8.1202 -8.1202
-8.1146 -8.1146 -1.3479 -1.3479 3.0382 3.0382 3.7577 3.7577
5.6116 5.6116 7.7520 7.7520 10.1756 10.1756 12.0458 12.0458
12.4265 12.4265
k = 0.3793 0.2190 0.5983 ( 4136 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0632 -36.0632 -36.0624 -36.0624 -36.0585 -36.0585 -36.0578 -36.0578
-10.6781 -10.6781 -10.6749 -10.6749 -8.1616 -8.1616 -8.1200 -8.1200
-8.1146 -8.1146 -1.3400 -1.3400 3.0232 3.0232 3.7748 3.7748
5.5869 5.5869 7.7245 7.7245 10.0457 10.0457 12.1602 12.1602
12.5327 12.5327
k = 0.3750 0.2165 0.6124 ( 4149 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0633 -36.0633 -36.0624 -36.0624 -36.0586 -36.0586 -36.0577 -36.0577
-10.6782 -10.6782 -10.6750 -10.6750 -8.1618 -8.1618 -8.1200 -8.1200
-8.1147 -8.1147 -1.3345 -1.3345 3.0027 3.0027 3.8060 3.8060
5.5647 5.5647 7.7003 7.7003 9.9184 9.9184 12.2448 12.2448
12.6135 12.6135
k = 0.6250-0.0722 0.4082 ( 4149 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3490 -36.3490 -36.3482 -36.3482
-36.0633 -36.0633 -36.0624 -36.0624 -36.0586 -36.0586 -36.0577 -36.0577
-10.6782 -10.6782 -10.6750 -10.6750 -8.1618 -8.1618 -8.1200 -8.1200
-8.1147 -8.1147 -1.3345 -1.3345 3.0027 3.0027 3.8060 3.8060
5.5647 5.5647 7.7003 7.7003 9.9184 9.9184 12.2448 12.2448
12.6135 12.6135
k = 0.6176-0.0849 0.4082 ( 4129 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3491 -36.3491 -36.3481 -36.3481
-36.0633 -36.0633 -36.0624 -36.0624 -36.0585 -36.0585 -36.0576 -36.0576
-10.6781 -10.6781 -10.6747 -10.6747 -8.1617 -8.1617 -8.1197 -8.1197
-8.1145 -8.1145 -1.3277 -1.3277 2.9649 2.9649 3.8736 3.8736
5.5303 5.5303 7.6627 7.6627 9.7052 9.7052 12.3609 12.3609
12.7305 12.7305
k = 0.6103-0.0976 0.4082 ( 4137 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3491 -36.3491 -36.3481 -36.3481
-36.0635 -36.0635 -36.0624 -36.0624 -36.0586 -36.0586 -36.0575 -36.0575
-10.6782 -10.6782 -10.6747 -10.6747 -8.1619 -8.1619 -8.1196 -8.1196
-8.1145 -8.1145 -1.3222 -1.3222 2.9277 2.9277 3.9479 3.9479
5.4984 5.4984 7.6272 7.6272 9.4953 9.4953 12.4779 12.4779
12.8495 12.8495
k = 0.6029-0.1104 0.4082 ( 4145 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3492 -36.3492 -36.3480 -36.3480
-36.0636 -36.0636 -36.0624 -36.0624 -36.0586 -36.0586 -36.0574 -36.0574
-10.6783 -10.6783 -10.6747 -10.6747 -8.1620 -8.1620 -8.1195 -8.1195
-8.1145 -8.1145 -1.3179 -1.3179 2.8917 2.8917 4.0279 4.0279
5.4693 5.4693 7.5938 7.5938 9.2892 9.2892 12.5957 12.5957
12.9704 12.9704
k = 0.5956-0.1231 0.4082 ( 4135 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3493 -36.3493 -36.3480 -36.3480
-36.0637 -36.0637 -36.0623 -36.0623 -36.0586 -36.0586 -36.0573 -36.0573
-10.6783 -10.6783 -10.6745 -10.6745 -8.1621 -8.1621 -8.1194 -8.1194
-8.1143 -8.1143 -1.3146 -1.3146 2.8573 2.8573 4.1124 4.1124
5.4433 5.4433 7.5625 7.5625 9.0874 9.0874 12.7136 12.7136
13.0930 13.0930
k = 0.5882-0.1358 0.4082 ( 4135 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3493 -36.3493 -36.3479 -36.3479
-36.0637 -36.0637 -36.0623 -36.0623 -36.0587 -36.0587 -36.0572 -36.0572
-10.6784 -10.6784 -10.6744 -10.6744 -8.1622 -8.1622 -8.1193 -8.1193
-8.1142 -8.1142 -1.3122 -1.3122 2.8249 2.8249 4.2005 4.2005
5.4206 5.4206 7.5334 7.5334 8.8902 8.8902 12.8311 12.8311
13.2173 13.2173
k = 0.5809-0.1486 0.4082 ( 4138 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3494 -36.3494 -36.3479 -36.3479
-36.0638 -36.0638 -36.0623 -36.0623 -36.0587 -36.0587 -36.0571 -36.0571
-10.6785 -10.6785 -10.6744 -10.6744 -8.1623 -8.1623 -8.1193 -8.1193
-8.1141 -8.1141 -1.3105 -1.3105 2.7945 2.7945 4.2908 4.2908
5.4017 5.4017 7.5065 7.5065 8.6984 8.6984 12.9475 12.9475
13.3430 13.3430
k = 0.5735-0.1613 0.4082 ( 4142 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3494 -36.3494 -36.3478 -36.3478
-36.0639 -36.0639 -36.0623 -36.0623 -36.0587 -36.0587 -36.0570 -36.0570
-10.6786 -10.6786 -10.6743 -10.6743 -8.1625 -8.1625 -8.1193 -8.1193
-8.1139 -8.1139 -1.3094 -1.3094 2.7665 2.7665 4.3819 4.3819
5.3870 5.3870 7.4817 7.4817 8.5126 8.5126 13.0620 13.0620
13.4696 13.4696
k = 0.5662-0.1741 0.4082 ( 4142 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3495 -36.3495 -36.3478 -36.3478
-36.0640 -36.0640 -36.0623 -36.0623 -36.0587 -36.0587 -36.0570 -36.0570
-10.6786 -10.6786 -10.6743 -10.6743 -8.1626 -8.1626 -8.1193 -8.1193
-8.1138 -8.1138 -1.3089 -1.3089 2.7409 2.7409 4.4721 4.4721
5.3773 5.3773 7.4590 7.4590 8.3338 8.3338 13.1736 13.1736
13.5971 13.5971
k = 0.5588-0.1868 0.4082 ( 4146 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3495 -36.3495 -36.3478 -36.3478
-36.0640 -36.0640 -36.0623 -36.0623 -36.0587 -36.0587 -36.0569 -36.0569
-10.6787 -10.6787 -10.6742 -10.6742 -8.1628 -8.1628 -8.1194 -8.1194
-8.1136 -8.1136 -1.3087 -1.3087 2.7178 2.7178 4.5593 4.5593
5.3734 5.3734 7.4383 7.4383 8.1632 8.1632 13.2811 13.2811
13.7247 13.7247
k = 0.5515-0.1995 0.4082 ( 4138 PWs) bands (ev):
-69.4084 -69.4084 -69.4082 -69.4082 -36.3495 -36.3495 -36.3477 -36.3477
-36.0640 -36.0640 -36.0623 -36.0623 -36.0587 -36.0587 -36.0569 -36.0569
-10.6787 -10.6787 -10.6741 -10.6741 -8.1628 -8.1628 -8.1193 -8.1193
-8.1134 -8.1134 -1.3087 -1.3087 2.6972 2.6972 4.6412 4.6412
5.3763 5.3763 7.4196 7.4196 8.0023 8.0023 13.3830 13.3830
13.8516 13.8516
k = 0.5441-0.2123 0.4082 ( 4142 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3495 -36.3495 -36.3477 -36.3477
-36.0641 -36.0641 -36.0623 -36.0623 -36.0587 -36.0587 -36.0568 -36.0568
-10.6788 -10.6788 -10.6741 -10.6741 -8.1630 -8.1630 -8.1194 -8.1194
-8.1133 -8.1133 -1.3090 -1.3090 2.6794 2.6794 4.7147 4.7147
5.3868 5.3868 7.4025 7.4025 7.8532 7.8532 13.4776 13.4776
13.9767 13.9767
k = 0.5368-0.2250 0.4082 ( 4134 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3495 -36.3495 -36.3477 -36.3477
-36.0641 -36.0641 -36.0622 -36.0622 -36.0587 -36.0587 -36.0568 -36.0568
-10.6788 -10.6788 -10.6740 -10.6740 -8.1630 -8.1630 -8.1193 -8.1193
-8.1131 -8.1131 -1.3093 -1.3093 2.6642 2.6642 4.7774 4.7774
5.4051 5.4051 7.3864 7.3864 7.7188 7.7188 13.5631 13.5631
14.0980 14.0980
k = 0.5294-0.2377 0.4082 ( 4134 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3495 -36.3495 -36.3477 -36.3477
-36.0641 -36.0641 -36.0622 -36.0622 -36.0587 -36.0587 -36.0568 -36.0568
-10.6788 -10.6788 -10.6740 -10.6740 -8.1631 -8.1631 -8.1193 -8.1193
-8.1130 -8.1130 -1.3097 -1.3097 2.6517 2.6517 4.8276 4.8276
5.4298 5.4298 7.3702 7.3702 7.6035 7.6035 13.6372 13.6372
14.2127 14.2127
k = 0.5221-0.2505 0.4082 ( 4138 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3496 -36.3496 -36.3477 -36.3477
-36.0642 -36.0642 -36.0623 -36.0623 -36.0587 -36.0587 -36.0567 -36.0567
-10.6788 -10.6788 -10.6740 -10.6740 -8.1632 -8.1632 -8.1194 -8.1194
-8.1130 -8.1130 -1.3100 -1.3100 2.6420 2.6420 4.8647 4.8647
5.4576 5.4576 7.3513 7.3513 7.5134 7.5134 13.6979 13.6979
14.3162 14.3162
k = 0.5147-0.2632 0.4082 ( 4136 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3496 -36.3496 -36.3477 -36.3477
-36.0642 -36.0642 -36.0622 -36.0622 -36.0587 -36.0587 -36.0567 -36.0567
-10.6788 -10.6788 -10.6740 -10.6740 -8.1632 -8.1632 -8.1194 -8.1194
-8.1129 -8.1129 -1.3103 -1.3103 2.6350 2.6350 4.8897 4.8897
5.4836 5.4836 7.3271 7.3271 7.4551 7.4551 13.7431 13.7431
14.4018 14.4018
k = 0.5074-0.2759 0.4082 ( 4130 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3495 -36.3495 -36.3477 -36.3477
-36.0641 -36.0641 -36.0623 -36.0623 -36.0587 -36.0587 -36.0567 -36.0567
-10.6788 -10.6788 -10.6739 -10.6739 -8.1632 -8.1632 -8.1194 -8.1194
-8.1128 -8.1128 -1.3105 -1.3105 2.6308 2.6308 4.9039 4.9039
5.5022 5.5022 7.3035 7.3035 7.4272 7.4272 13.7710 13.7710
14.4597 14.4597
k = 0.5000-0.2887 0.4082 ( 4136 PWs) bands (ev):
-69.4085 -69.4085 -69.4081 -69.4081 -36.3495 -36.3495 -36.3477 -36.3477
-36.0641 -36.0641 -36.0623 -36.0623 -36.0587 -36.0587 -36.0567 -36.0567
-10.6788 -10.6788 -10.6740 -10.6740 -8.1632 -8.1632 -8.1194 -8.1194
-8.1128 -8.1128 -1.3106 -1.3106 2.6294 2.6294 4.9085 4.9085
5.5089 5.5089 7.2936 7.2936 7.4194 7.4194 13.7804 13.7804
14.4804 14.4804
Writing output data file Mg2Pb.save
init_run : 0.19s CPU 0.29s WALL ( 1 calls)
electrons : 83.30s CPU 84.68s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.00s WALL ( 1 calls)
potinit : 0.02s CPU 0.03s WALL ( 1 calls)
Called by electrons:
c_bands : 83.30s CPU 84.67s 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 : 0.00s CPU 0.01s WALL ( 1 calls)
newd : 0.03s CPU 0.05s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.03s CPU 0.03s WALL ( 310 calls)
cegterg : 75.78s CPU 76.73s WALL ( 324 calls)
Called by sum_band:
Called by *egterg:
h_psi : 46.20s CPU 46.87s WALL ( 4988 calls)
s_psi : 0.84s CPU 0.92s WALL ( 4988 calls)
g_psi : 0.13s CPU 0.11s WALL ( 4354 calls)
cdiaghg : 28.37s CPU 28.68s WALL ( 4664 calls)
cegterg:over : 2.34s CPU 2.47s WALL ( 4354 calls)
cegterg:upda : 2.36s CPU 2.37s WALL ( 4354 calls)
cegterg:last : 0.84s CPU 0.89s WALL ( 655 calls)
cdiaghg:chol : 1.62s CPU 1.57s WALL ( 4664 calls)
cdiaghg:inve : 0.90s CPU 0.96s WALL ( 4664 calls)
cdiaghg:para : 1.61s CPU 1.64s WALL ( 9328 calls)
Called by h_psi:
h_psi:vloc : 43.66s CPU 44.26s WALL ( 4988 calls)
h_psi:vnl : 2.46s CPU 2.50s WALL ( 4988 calls)
add_vuspsi : 1.23s CPU 1.22s WALL ( 4988 calls)
General routines
calbec : 1.21s CPU 1.26s WALL ( 4988 calls)
fft : 0.01s CPU 0.01s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 40.80s CPU 41.42s WALL ( 407404 calls)
interpolate : 0.00s CPU 0.00s WALL ( 4 calls)
davcio : 0.16s CPU 0.24s WALL ( 620 calls)
Parallel routines
fft_scatter : 13.08s CPU 13.31s WALL ( 407427 calls)
PWSCF : 1m35.54s CPU 1m46.27s WALL
This run was terminated on: 20:48:46 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=