Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:21:49
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:
./NiC2xSNx2.save/
file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 49 26 7 2096 820 128
Max 51 27 8 2100 840 137
Sum 1767 955 273 75517 29857 4761
bravais-lattice index = 14
lattice parameter (alat) = 10.4752 a.u.
unit-cell volume = 756.5066 (a.u.)^3
number of atoms/cell = 7
number of atomic types = 4
number of electrons = 40.00
number of Kohn-Sham states= 48
kinetic-energy cutoff = 44.0000 Ry
charge density cutoff = 327.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 10.475159 celldm(2)= 1.000000 celldm(3)= 1.112170
celldm(4)= 0.274538 celldm(5)= 0.274538 celldm(6)= 0.785819
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.785819 0.618457 0.000000 )
a(3) = ( 0.305333 0.105742 1.064196 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -1.270613 -0.160663 )
b(2) = ( 0.000000 1.616928 -0.160663 )
b(3) = ( 0.000000 0.000000 0.939676 )
PseudoPot. # 1 for S read from file:
/users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 95f1324244b600346090892298cb4451
Pseudo is Ultrasoft + core correction, Zval = 6.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1151 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 Ni read from file:
/users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578
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 1195 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
PseudoPot. # 3 for C read from file:
/users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3
Pseudo is Ultrasoft + core correction, Zval = 4.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1073 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
PseudoPot. # 4 for N read from file:
/users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: e87e56825df8daeb07642eb4d268bcfd
Pseudo is Ultrasoft + core correction, Zval = 5.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1085 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
S 6.00 32.06500 S( 1.00)
Ni 10.00 58.69340 Ni( 1.00)
C 4.00 12.01070 C( 1.00)
N 5.00 14.00670 N( 1.00)
2 Sym. Ops., with inversion, found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 -0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
isym = 2 inversion
cryst. s( 2) = ( -1 0 0 )
( 0 -1 0 )
( 0 0 -1 )
cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 )
( 0.0000000 -1.0000000 0.0000000 )
( 0.0000000 0.0000000 -1.0000000 )
double point group C_i (-1)
there are 4 classes and 2 irreducible representations
the character table:
E -E i -i
G_2+ 1.00 -1.00 1.00 -1.00
G_2- 1.00 -1.00 -1.00 1.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
i 2
inversion
-i -2
inversion E
Cartesian axes
number of k points= 370 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027
k( 2) = ( 0.0156250 0.0054112 -0.0050207), wk = 0.0027027
k( 3) = ( 0.0312500 0.0108224 -0.0100414), wk = 0.0027027
k( 4) = ( 0.0468750 0.0162335 -0.0150621), wk = 0.0027027
k( 5) = ( 0.0625000 0.0216447 -0.0200828), wk = 0.0027027
k( 6) = ( 0.0781250 0.0270559 -0.0251035), wk = 0.0027027
k( 7) = ( 0.0937500 0.0324671 -0.0301242), wk = 0.0027027
k( 8) = ( 0.1093750 0.0378782 -0.0351449), wk = 0.0027027
k( 9) = ( 0.1250000 0.0432894 -0.0401656), wk = 0.0027027
k( 10) = ( 0.1406250 0.0487006 -0.0451863), wk = 0.0027027
k( 11) = ( 0.1562500 0.0541118 -0.0502070), wk = 0.0027027
k( 12) = ( 0.1718750 0.0595230 -0.0552278), wk = 0.0027027
k( 13) = ( 0.1875000 0.0649341 -0.0602485), wk = 0.0027027
k( 14) = ( 0.2031250 0.0703453 -0.0652692), wk = 0.0027027
k( 15) = ( 0.2187500 0.0757565 -0.0702899), wk = 0.0027027
k( 16) = ( 0.2343750 0.0811677 -0.0753106), wk = 0.0027027
k( 17) = ( 0.2500000 0.0865788 -0.0803313), wk = 0.0027027
k( 18) = ( 0.2656250 0.0919900 -0.0853520), wk = 0.0027027
k( 19) = ( 0.2812500 0.0974012 -0.0903727), wk = 0.0027027
k( 20) = ( 0.2968750 0.1028124 -0.0953934), wk = 0.0027027
k( 21) = ( 0.3125000 0.1082236 -0.1004141), wk = 0.0027027
k( 22) = ( 0.3281250 0.1136347 -0.1054348), wk = 0.0027027
k( 23) = ( 0.3437500 0.1190459 -0.1104555), wk = 0.0027027
k( 24) = ( 0.3593750 0.1244571 -0.1154762), wk = 0.0027027
k( 25) = ( 0.3750000 0.1298683 -0.1204969), wk = 0.0027027
k( 26) = ( 0.3906250 0.1352794 -0.1255176), wk = 0.0027027
k( 27) = ( 0.4062500 0.1406906 -0.1305383), wk = 0.0027027
k( 28) = ( 0.4218750 0.1461018 -0.1355590), wk = 0.0027027
k( 29) = ( 0.4375000 0.1515130 -0.1405797), wk = 0.0027027
k( 30) = ( 0.4531250 0.1569242 -0.1456004), wk = 0.0027027
k( 31) = ( 0.4687500 0.1623353 -0.1506211), wk = 0.0027027
k( 32) = ( 0.4843750 0.1677465 -0.1556419), wk = 0.0027027
k( 33) = ( 0.5000000 0.1731577 -0.1606626), wk = 0.0027027
k( 34) = ( 0.5000000 0.1731577 -0.1606626), wk = 0.0027027
k( 35) = ( 0.5046688 0.1747746 -0.1443902), wk = 0.0027027
k( 36) = ( 0.5093376 0.1763914 -0.1281177), wk = 0.0027027
k( 37) = ( 0.5140063 0.1780083 -0.1118453), wk = 0.0027027
k( 38) = ( 0.5186751 0.1796252 -0.0955729), wk = 0.0027027
k( 39) = ( 0.5233439 0.1812421 -0.0793005), wk = 0.0027027
k( 40) = ( 0.5280127 0.1828589 -0.0630281), wk = 0.0027027
k( 41) = ( 0.5326815 0.1844758 -0.0467557), wk = 0.0027027
k( 42) = ( 0.5373503 0.1860927 -0.0304833), wk = 0.0027027
k( 43) = ( 0.5420191 0.1877095 -0.0142109), wk = 0.0027027
k( 44) = ( 0.5466878 0.1893264 0.0020615), wk = 0.0027027
k( 45) = ( 0.5513566 0.1909433 0.0183339), wk = 0.0027027
k( 46) = ( 0.5560254 0.1925602 0.0346063), wk = 0.0027027
k( 47) = ( 0.5606942 0.1941770 0.0508787), wk = 0.0027027
k( 48) = ( 0.5653630 0.1957939 0.0671511), wk = 0.0027027
k( 49) = ( 0.5700318 0.1974108 0.0834235), wk = 0.0027027
k( 50) = ( 0.5747005 0.1990276 0.0996959), wk = 0.0027027
k( 51) = ( 0.5793693 0.2006445 0.1159683), wk = 0.0027027
k( 52) = ( 0.5840381 0.2022614 0.1322407), wk = 0.0027027
k( 53) = ( 0.5887069 0.2038783 0.1485131), wk = 0.0027027
k( 54) = ( 0.5887069 0.2038783 0.1485131), wk = 0.0027027
k( 55) = ( 0.5806426 0.2010855 0.1631188), wk = 0.0027027
k( 56) = ( 0.5725784 0.1982927 0.1777245), wk = 0.0027027
k( 57) = ( 0.5645141 0.1954999 0.1923302), wk = 0.0027027
k( 58) = ( 0.5564499 0.1927071 0.2069358), wk = 0.0027027
k( 59) = ( 0.5483856 0.1899144 0.2215415), wk = 0.0027027
k( 60) = ( 0.5403213 0.1871216 0.2361472), wk = 0.0027027
k( 61) = ( 0.5322571 0.1843288 0.2507529), wk = 0.0027027
k( 62) = ( 0.5241928 0.1815360 0.2653586), wk = 0.0027027
k( 63) = ( 0.5161285 0.1787433 0.2799643), wk = 0.0027027
k( 64) = ( 0.5080643 0.1759505 0.2945700), wk = 0.0027027
k( 65) = ( 0.5000000 0.1731577 0.3091757), wk = 0.0027027
k( 66) = ( 0.5000000 0.1731577 0.3091757), wk = 0.0027027
k( 67) = ( 0.5056932 0.1567185 0.3091757), wk = 0.0027027
k( 68) = ( 0.5113863 0.1402792 0.3091757), wk = 0.0027027
k( 69) = ( 0.5170795 0.1238400 0.3091757), wk = 0.0027027
k( 70) = ( 0.5227726 0.1074007 0.3091757), wk = 0.0027027
k( 71) = ( 0.5284658 0.0909615 0.3091757), wk = 0.0027027
k( 72) = ( 0.5341590 0.0745222 0.3091757), wk = 0.0027027
k( 73) = ( 0.5398521 0.0580830 0.3091757), wk = 0.0027027
k( 74) = ( 0.5455453 0.0416438 0.3091757), wk = 0.0027027
k( 75) = ( 0.5512385 0.0252045 0.3091757), wk = 0.0027027
k( 76) = ( 0.5569316 0.0087653 0.3091757), wk = 0.0027027
k( 77) = ( 0.5626248 -0.0076740 0.3091757), wk = 0.0027027
k( 78) = ( 0.5683180 -0.0241132 0.3091757), wk = 0.0027027
k( 79) = ( 0.5740111 -0.0405525 0.3091757), wk = 0.0027027
k( 80) = ( 0.5797043 -0.0569917 0.3091757), wk = 0.0027027
k( 81) = ( 0.5853974 -0.0734310 0.3091757), wk = 0.0027027
k( 82) = ( 0.5910906 -0.0898702 0.3091757), wk = 0.0027027
k( 83) = ( 0.5967838 -0.1063094 0.3091757), wk = 0.0027027
k( 84) = ( 0.6024769 -0.1227487 0.3091757), wk = 0.0027027
k( 85) = ( 0.6081701 -0.1391879 0.3091757), wk = 0.0027027
k( 86) = ( 0.6138633 -0.1556272 0.3091757), wk = 0.0027027
k( 87) = ( 0.6195564 -0.1720664 0.3091757), wk = 0.0027027
k( 88) = ( 0.6252496 -0.1885057 0.3091757), wk = 0.0027027
k( 89) = ( 0.6309427 -0.2049449 0.3091757), wk = 0.0027027
k( 90) = ( 0.6366359 -0.2213841 0.3091757), wk = 0.0027027
k( 91) = ( 0.6423291 -0.2378234 0.3091757), wk = 0.0027027
k( 92) = ( 0.6480222 -0.2542626 0.3091757), wk = 0.0027027
k( 93) = ( 0.6537154 -0.2707019 0.3091757), wk = 0.0027027
k( 94) = ( 0.6594086 -0.2871411 0.3091757), wk = 0.0027027
k( 95) = ( 0.6651017 -0.3035804 0.3091757), wk = 0.0027027
k( 96) = ( 0.6707949 -0.3200196 0.3091757), wk = 0.0027027
k( 97) = ( 0.6764881 -0.3364589 0.3091757), wk = 0.0027027
k( 98) = ( 0.6821812 -0.3528981 0.3091757), wk = 0.0027027
k( 99) = ( 0.6878744 -0.3693373 0.3091757), wk = 0.0027027
k( 100) = ( 0.6935676 -0.3857766 0.3091757), wk = 0.0027027
k( 101) = ( 0.6992607 -0.4022158 0.3091757), wk = 0.0027027
k( 102) = ( 0.7049539 -0.4186551 0.3091757), wk = 0.0027027
k( 103) = ( 0.7106470 -0.4350943 0.3091757), wk = 0.0027027
k( 104) = ( 0.7163402 -0.4515336 0.3091757), wk = 0.0027027
k( 105) = ( 0.7220334 -0.4679728 0.3091757), wk = 0.0027027
k( 106) = ( 0.7277265 -0.4844120 0.3091757), wk = 0.0027027
k( 107) = ( 0.7334197 -0.5008513 0.3091757), wk = 0.0027027
k( 108) = ( 0.2665803 -0.7697617 0.4698382), wk = 0.0027027
k( 109) = ( 0.2609084 -0.7533838 0.4698382), wk = 0.0027027
k( 110) = ( 0.2552365 -0.7370059 0.4698382), wk = 0.0027027
k( 111) = ( 0.2495645 -0.7206280 0.4698382), wk = 0.0027027
k( 112) = ( 0.2438926 -0.7042501 0.4698382), wk = 0.0027027
k( 113) = ( 0.2382207 -0.6878721 0.4698382), wk = 0.0027027
k( 114) = ( 0.2325488 -0.6714942 0.4698382), wk = 0.0027027
k( 115) = ( 0.2268769 -0.6551163 0.4698382), wk = 0.0027027
k( 116) = ( 0.2212049 -0.6387384 0.4698382), wk = 0.0027027
k( 117) = ( 0.2155330 -0.6223605 0.4698382), wk = 0.0027027
k( 118) = ( 0.2098611 -0.6059826 0.4698382), wk = 0.0027027
k( 119) = ( 0.2041892 -0.5896047 0.4698382), wk = 0.0027027
k( 120) = ( 0.1985173 -0.5732268 0.4698382), wk = 0.0027027
k( 121) = ( 0.1928453 -0.5568489 0.4698382), wk = 0.0027027
k( 122) = ( 0.1871734 -0.5404710 0.4698382), wk = 0.0027027
k( 123) = ( 0.1815015 -0.5240931 0.4698382), wk = 0.0027027
k( 124) = ( 0.1758296 -0.5077152 0.4698382), wk = 0.0027027
k( 125) = ( 0.1701576 -0.4913372 0.4698382), wk = 0.0027027
k( 126) = ( 0.1644857 -0.4749593 0.4698382), wk = 0.0027027
k( 127) = ( 0.1588138 -0.4585814 0.4698382), wk = 0.0027027
k( 128) = ( 0.1531419 -0.4422035 0.4698382), wk = 0.0027027
k( 129) = ( 0.1474700 -0.4258256 0.4698382), wk = 0.0027027
k( 130) = ( 0.1417980 -0.4094477 0.4698382), wk = 0.0027027
k( 131) = ( 0.1361261 -0.3930698 0.4698382), wk = 0.0027027
k( 132) = ( 0.1304542 -0.3766919 0.4698382), wk = 0.0027027
k( 133) = ( 0.1247823 -0.3603140 0.4698382), wk = 0.0027027
k( 134) = ( 0.1191104 -0.3439361 0.4698382), wk = 0.0027027
k( 135) = ( 0.1134384 -0.3275582 0.4698382), wk = 0.0027027
k( 136) = ( 0.1077665 -0.3111803 0.4698382), wk = 0.0027027
k( 137) = ( 0.1020946 -0.2948023 0.4698382), wk = 0.0027027
k( 138) = ( 0.0964227 -0.2784244 0.4698382), wk = 0.0027027
k( 139) = ( 0.0907507 -0.2620465 0.4698382), wk = 0.0027027
k( 140) = ( 0.0850788 -0.2456686 0.4698382), wk = 0.0027027
k( 141) = ( 0.0794069 -0.2292907 0.4698382), wk = 0.0027027
k( 142) = ( 0.0737350 -0.2129128 0.4698382), wk = 0.0027027
k( 143) = ( 0.0680631 -0.1965349 0.4698382), wk = 0.0027027
k( 144) = ( 0.0623911 -0.1801570 0.4698382), wk = 0.0027027
k( 145) = ( 0.0567192 -0.1637791 0.4698382), wk = 0.0027027
k( 146) = ( 0.0510473 -0.1474012 0.4698382), wk = 0.0027027
k( 147) = ( 0.0453754 -0.1310233 0.4698382), wk = 0.0027027
k( 148) = ( 0.0397035 -0.1146454 0.4698382), wk = 0.0027027
k( 149) = ( 0.0340315 -0.0982674 0.4698382), wk = 0.0027027
k( 150) = ( 0.0283596 -0.0818895 0.4698382), wk = 0.0027027
k( 151) = ( 0.0226877 -0.0655116 0.4698382), wk = 0.0027027
k( 152) = ( 0.0170158 -0.0491337 0.4698382), wk = 0.0027027
k( 153) = ( 0.0113438 -0.0327558 0.4698382), wk = 0.0027027
k( 154) = ( 0.0056719 -0.0163779 0.4698382), wk = 0.0027027
k( 155) = ( 0.0000000 0.0000000 0.4698382), wk = 0.0027027
k( 156) = ( 0.0000000 0.0000000 0.4698382), wk = 0.0027027
k( 157) = ( 0.0164517 0.0056975 0.4698382), wk = 0.0027027
k( 158) = ( 0.0329035 0.0113950 0.4698382), wk = 0.0027027
k( 159) = ( 0.0493552 0.0170925 0.4698382), wk = 0.0027027
k( 160) = ( 0.0658069 0.0227899 0.4698382), wk = 0.0027027
k( 161) = ( 0.0822586 0.0284874 0.4698382), wk = 0.0027027
k( 162) = ( 0.0987103 0.0341849 0.4698382), wk = 0.0027027
k( 163) = ( 0.1151621 0.0398824 0.4698382), wk = 0.0027027
k( 164) = ( 0.1316138 0.0455799 0.4698382), wk = 0.0027027
k( 165) = ( 0.1480655 0.0512774 0.4698382), wk = 0.0027027
k( 166) = ( 0.1645172 0.0569749 0.4698382), wk = 0.0027027
k( 167) = ( 0.1809690 0.0626723 0.4698382), wk = 0.0027027
k( 168) = ( 0.1974207 0.0683698 0.4698382), wk = 0.0027027
k( 169) = ( 0.2138724 0.0740673 0.4698382), wk = 0.0027027
k( 170) = ( 0.2303241 0.0797648 0.4698382), wk = 0.0027027
k( 171) = ( 0.2467759 0.0854623 0.4698382), wk = 0.0027027
k( 172) = ( 0.2632276 0.0911598 0.4698382), wk = 0.0027027
k( 173) = ( 0.2796793 0.0968572 0.4698382), wk = 0.0027027
k( 174) = ( 0.2961310 0.1025547 0.4698382), wk = 0.0027027
k( 175) = ( 0.3125828 0.1082522 0.4698382), wk = 0.0027027
k( 176) = ( 0.3290345 0.1139497 0.4698382), wk = 0.0027027
k( 177) = ( 0.3454862 0.1196472 0.4698382), wk = 0.0027027
k( 178) = ( 0.3619379 0.1253447 0.4698382), wk = 0.0027027
k( 179) = ( 0.3783897 0.1310422 0.4698382), wk = 0.0027027
k( 180) = ( 0.3948414 0.1367396 0.4698382), wk = 0.0027027
k( 181) = ( 0.4112931 0.1424371 0.4698382), wk = 0.0027027
k( 182) = ( 0.5000000 0.1731577 -0.1606626), wk = 0.0027027
k( 183) = ( 0.5057172 0.1566492 -0.1606626), wk = 0.0027027
k( 184) = ( 0.5114343 0.1401406 -0.1606626), wk = 0.0027027
k( 185) = ( 0.5171515 0.1236321 -0.1606626), wk = 0.0027027
k( 186) = ( 0.5228687 0.1071235 -0.1606626), wk = 0.0027027
k( 187) = ( 0.5285858 0.0906150 -0.1606626), wk = 0.0027027
k( 188) = ( 0.5343030 0.0741064 -0.1606626), wk = 0.0027027
k( 189) = ( 0.5400201 0.0575979 -0.1606626), wk = 0.0027027
k( 190) = ( 0.5457373 0.0410894 -0.1606626), wk = 0.0027027
k( 191) = ( 0.5514545 0.0245808 -0.1606626), wk = 0.0027027
k( 192) = ( 0.5571716 0.0080723 -0.1606626), wk = 0.0027027
k( 193) = ( 0.5628888 -0.0084363 -0.1606626), wk = 0.0027027
k( 194) = ( 0.5686059 -0.0249448 -0.1606626), wk = 0.0027027
k( 195) = ( 0.5743231 -0.0414533 -0.1606626), wk = 0.0027027
k( 196) = ( 0.5800403 -0.0579619 -0.1606626), wk = 0.0027027
k( 197) = ( 0.5857574 -0.0744704 -0.1606626), wk = 0.0027027
k( 198) = ( 0.5914746 -0.0909790 -0.1606626), wk = 0.0027027
k( 199) = ( 0.5971918 -0.1074875 -0.1606626), wk = 0.0027027
k( 200) = ( 0.6029089 -0.1239960 -0.1606626), wk = 0.0027027
k( 201) = ( 0.6086261 -0.1405046 -0.1606626), wk = 0.0027027
k( 202) = ( 0.6143432 -0.1570131 -0.1606626), wk = 0.0027027
k( 203) = ( 0.6200604 -0.1735217 -0.1606626), wk = 0.0027027
k( 204) = ( 0.6257776 -0.1900302 -0.1606626), wk = 0.0027027
k( 205) = ( 0.6314947 -0.2065387 -0.1606626), wk = 0.0027027
k( 206) = ( 0.6372119 -0.2230473 -0.1606626), wk = 0.0027027
k( 207) = ( 0.6429290 -0.2395558 -0.1606626), wk = 0.0027027
k( 208) = ( 0.6486462 -0.2560644 -0.1606626), wk = 0.0027027
k( 209) = ( 0.6543634 -0.2725729 -0.1606626), wk = 0.0027027
k( 210) = ( 0.6600805 -0.2890815 -0.1606626), wk = 0.0027027
k( 211) = ( 0.6657977 -0.3055900 -0.1606626), wk = 0.0027027
k( 212) = ( 0.6715148 -0.3220985 -0.1606626), wk = 0.0027027
k( 213) = ( 0.6772320 -0.3386071 -0.1606626), wk = 0.0027027
k( 214) = ( 0.6829492 -0.3551156 -0.1606626), wk = 0.0027027
k( 215) = ( 0.6886663 -0.3716242 -0.1606626), wk = 0.0027027
k( 216) = ( 0.6943835 -0.3881327 -0.1606626), wk = 0.0027027
k( 217) = ( 0.7001007 -0.4046412 -0.1606626), wk = 0.0027027
k( 218) = ( 0.7058178 -0.4211498 -0.1606626), wk = 0.0027027
k( 219) = ( 0.7115350 -0.4376583 -0.1606626), wk = 0.0027027
k( 220) = ( 0.7172521 -0.4541668 -0.1606626), wk = 0.0027027
k( 221) = ( 0.2827479 -0.8164461 0.0000000), wk = 0.0027027
k( 222) = ( 0.2769775 -0.7997840 0.0000000), wk = 0.0027027
k( 223) = ( 0.2712071 -0.7831218 -0.0000000), wk = 0.0027027
k( 224) = ( 0.2654368 -0.7664596 -0.0000000), wk = 0.0027027
k( 225) = ( 0.2596664 -0.7497975 0.0000000), wk = 0.0027027
k( 226) = ( 0.2538960 -0.7331353 0.0000000), wk = 0.0027027
k( 227) = ( 0.2481257 -0.7164731 0.0000000), wk = 0.0027027
k( 228) = ( 0.2423553 -0.6998110 0.0000000), wk = 0.0027027
k( 229) = ( 0.2365849 -0.6831488 -0.0000000), wk = 0.0027027
k( 230) = ( 0.2308146 -0.6664866 -0.0000000), wk = 0.0027027
k( 231) = ( 0.2250442 -0.6498245 0.0000000), wk = 0.0027027
k( 232) = ( 0.2192738 -0.6331623 0.0000000), wk = 0.0027027
k( 233) = ( 0.2135035 -0.6165001 -0.0000000), wk = 0.0027027
k( 234) = ( 0.2077331 -0.5998380 -0.0000000), wk = 0.0027027
k( 235) = ( 0.2019627 -0.5831758 0.0000000), wk = 0.0027027
k( 236) = ( 0.1961924 -0.5665136 0.0000000), wk = 0.0027027
k( 237) = ( 0.1904220 -0.5498515 0.0000000), wk = 0.0027027
k( 238) = ( 0.1846517 -0.5331893 0.0000000), wk = 0.0027027
k( 239) = ( 0.1788813 -0.5165271 0.0000000), wk = 0.0027027
k( 240) = ( 0.1731109 -0.4998650 0.0000000), wk = 0.0027027
k( 241) = ( 0.1673406 -0.4832028 0.0000000), wk = 0.0027027
k( 242) = ( 0.1615702 -0.4665406 0.0000000), wk = 0.0027027
k( 243) = ( 0.1557998 -0.4498785 0.0000000), wk = 0.0027027
k( 244) = ( 0.1500295 -0.4332163 0.0000000), wk = 0.0027027
k( 245) = ( 0.1442591 -0.4165541 -0.0000000), wk = 0.0027027
k( 246) = ( 0.1384887 -0.3998920 -0.0000000), wk = 0.0027027
k( 247) = ( 0.1327184 -0.3832298 -0.0000000), wk = 0.0027027
k( 248) = ( 0.1269480 -0.3665677 -0.0000000), wk = 0.0027027
k( 249) = ( 0.1211776 -0.3499055 -0.0000000), wk = 0.0027027
k( 250) = ( 0.1154073 -0.3332433 -0.0000000), wk = 0.0027027
k( 251) = ( 0.1096369 -0.3165811 -0.0000000), wk = 0.0027027
k( 252) = ( 0.1038666 -0.2999190 -0.0000000), wk = 0.0027027
k( 253) = ( 0.0980962 -0.2832568 0.0000000), wk = 0.0027027
k( 254) = ( 0.0923258 -0.2665947 0.0000000), wk = 0.0027027
k( 255) = ( 0.0865555 -0.2499325 -0.0000000), wk = 0.0027027
k( 256) = ( 0.0807851 -0.2332703 0.0000000), wk = 0.0027027
k( 257) = ( 0.0750147 -0.2166082 -0.0000000), wk = 0.0027027
k( 258) = ( 0.0692444 -0.1999460 0.0000000), wk = 0.0027027
k( 259) = ( 0.0634740 -0.1832838 -0.0000000), wk = 0.0027027
k( 260) = ( 0.0577036 -0.1666216 0.0000000), wk = 0.0027027
k( 261) = ( 0.0519333 -0.1499595 -0.0000000), wk = 0.0027027
k( 262) = ( 0.0461629 -0.1332973 0.0000000), wk = 0.0027027
k( 263) = ( 0.0403925 -0.1166352 0.0000000), wk = 0.0027027
k( 264) = ( 0.0346222 -0.0999730 0.0000000), wk = 0.0027027
k( 265) = ( 0.0288518 -0.0833108 0.0000000), wk = 0.0027027
k( 266) = ( 0.0230815 -0.0666487 0.0000000), wk = 0.0027027
k( 267) = ( 0.0173111 -0.0499865 0.0000000), wk = 0.0027027
k( 268) = ( 0.0115407 -0.0333243 0.0000000), wk = 0.0027027
k( 269) = ( 0.0057704 -0.0166622 -0.0000000), wk = 0.0027027
k( 270) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027
k( 271) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027
k( 272) = ( 0.0106383 -0.0135172 -0.0017092), wk = 0.0027027
k( 273) = ( 0.0212766 -0.0270343 -0.0034184), wk = 0.0027027
k( 274) = ( 0.0319149 -0.0405515 -0.0051275), wk = 0.0027027
k( 275) = ( 0.0425532 -0.0540686 -0.0068367), wk = 0.0027027
k( 276) = ( 0.0531915 -0.0675858 -0.0085459), wk = 0.0027027
k( 277) = ( 0.0638298 -0.0811030 -0.0102551), wk = 0.0027027
k( 278) = ( 0.0744681 -0.0946201 -0.0119642), wk = 0.0027027
k( 279) = ( 0.0851064 -0.1081373 -0.0136734), wk = 0.0027027
k( 280) = ( 0.0957447 -0.1216544 -0.0153826), wk = 0.0027027
k( 281) = ( 0.1063830 -0.1351716 -0.0170918), wk = 0.0027027
k( 282) = ( 0.1170213 -0.1486888 -0.0188009), wk = 0.0027027
k( 283) = ( 0.1276596 -0.1622059 -0.0205101), wk = 0.0027027
k( 284) = ( 0.1382979 -0.1757231 -0.0222193), wk = 0.0027027
k( 285) = ( 0.1489362 -0.1892402 -0.0239285), wk = 0.0027027
k( 286) = ( 0.1595745 -0.2027574 -0.0256376), wk = 0.0027027
k( 287) = ( 0.1702128 -0.2162746 -0.0273468), wk = 0.0027027
k( 288) = ( 0.1808511 -0.2297917 -0.0290560), wk = 0.0027027
k( 289) = ( 0.1914894 -0.2433089 -0.0307652), wk = 0.0027027
k( 290) = ( 0.2021277 -0.2568260 -0.0324743), wk = 0.0027027
k( 291) = ( 0.2127660 -0.2703432 -0.0341835), wk = 0.0027027
k( 292) = ( 0.2234043 -0.2838604 -0.0358927), wk = 0.0027027
k( 293) = ( 0.2340425 -0.2973775 -0.0376019), wk = 0.0027027
k( 294) = ( 0.2446809 -0.3108947 -0.0393111), wk = 0.0027027
k( 295) = ( 0.2553191 -0.3244118 -0.0410202), wk = 0.0027027
k( 296) = ( 0.2659574 -0.3379290 -0.0427294), wk = 0.0027027
k( 297) = ( 0.2765957 -0.3514461 -0.0444386), wk = 0.0027027
k( 298) = ( 0.2872340 -0.3649633 -0.0461478), wk = 0.0027027
k( 299) = ( 0.2978723 -0.3784805 -0.0478569), wk = 0.0027027
k( 300) = ( 0.3085106 -0.3919976 -0.0495661), wk = 0.0027027
k( 301) = ( 0.3191489 -0.4055148 -0.0512753), wk = 0.0027027
k( 302) = ( 0.3297872 -0.4190319 -0.0529845), wk = 0.0027027
k( 303) = ( 0.3404255 -0.4325491 -0.0546936), wk = 0.0027027
k( 304) = ( 0.3510638 -0.4460663 -0.0564028), wk = 0.0027027
k( 305) = ( 0.3617021 -0.4595834 -0.0581120), wk = 0.0027027
k( 306) = ( 0.3723404 -0.4731006 -0.0598212), wk = 0.0027027
k( 307) = ( 0.3829787 -0.4866177 -0.0615303), wk = 0.0027027
k( 308) = ( 0.3936170 -0.5001349 -0.0632395), wk = 0.0027027
k( 309) = ( 0.4042553 -0.5136521 -0.0649487), wk = 0.0027027
k( 310) = ( 0.4148936 -0.5271692 -0.0666579), wk = 0.0027027
k( 311) = ( 0.4255319 -0.5406864 -0.0683670), wk = 0.0027027
k( 312) = ( 0.4361702 -0.5542035 -0.0700762), wk = 0.0027027
k( 313) = ( 0.4468085 -0.5677207 -0.0717854), wk = 0.0027027
k( 314) = ( 0.4574468 -0.5812379 -0.0734946), wk = 0.0027027
k( 315) = ( 0.4680851 -0.5947550 -0.0752038), wk = 0.0027027
k( 316) = ( 0.4787234 -0.6082722 -0.0769129), wk = 0.0027027
k( 317) = ( 0.4893617 -0.6217893 -0.0786221), wk = 0.0027027
k( 318) = ( 0.5000000 -0.6353065 -0.0803313), wk = 0.0027027
k( 319) = ( 0.5000000 -0.6353065 0.3895069), wk = 0.0027027
k( 320) = ( 0.4901961 -0.6228495 0.3818696), wk = 0.0027027
k( 321) = ( 0.4803922 -0.6103925 0.3742322), wk = 0.0027027
k( 322) = ( 0.4705882 -0.5979355 0.3665948), wk = 0.0027027
k( 323) = ( 0.4607843 -0.5854785 0.3589574), wk = 0.0027027
k( 324) = ( 0.4509804 -0.5730215 0.3513200), wk = 0.0027027
k( 325) = ( 0.4411765 -0.5605645 0.3436826), wk = 0.0027027
k( 326) = ( 0.4313726 -0.5481076 0.3360452), wk = 0.0027027
k( 327) = ( 0.4215686 -0.5356506 0.3284078), wk = 0.0027027
k( 328) = ( 0.4117647 -0.5231936 0.3207704), wk = 0.0027027
k( 329) = ( 0.4019608 -0.5107366 0.3131330), wk = 0.0027027
k( 330) = ( 0.3921569 -0.4982796 0.3054956), wk = 0.0027027
k( 331) = ( 0.3823529 -0.4858226 0.2978582), wk = 0.0027027
k( 332) = ( 0.3725490 -0.4733656 0.2902209), wk = 0.0027027
k( 333) = ( 0.3627451 -0.4609086 0.2825835), wk = 0.0027027
k( 334) = ( 0.3529412 -0.4484516 0.2749461), wk = 0.0027027
k( 335) = ( 0.3431373 -0.4359946 0.2673087), wk = 0.0027027
k( 336) = ( 0.3333333 -0.4235377 0.2596713), wk = 0.0027027
k( 337) = ( 0.3235294 -0.4110807 0.2520339), wk = 0.0027027
k( 338) = ( 0.3137255 -0.3986237 0.2443965), wk = 0.0027027
k( 339) = ( 0.3039216 -0.3861667 0.2367591), wk = 0.0027027
k( 340) = ( 0.2941177 -0.3737097 0.2291217), wk = 0.0027027
k( 341) = ( 0.2843137 -0.3612527 0.2214843), wk = 0.0027027
k( 342) = ( 0.2745098 -0.3487957 0.2138469), wk = 0.0027027
k( 343) = ( 0.2647059 -0.3363387 0.2062096), wk = 0.0027027
k( 344) = ( 0.2549020 -0.3238817 0.1985722), wk = 0.0027027
k( 345) = ( 0.2450980 -0.3114248 0.1909348), wk = 0.0027027
k( 346) = ( 0.2352941 -0.2989678 0.1832974), wk = 0.0027027
k( 347) = ( 0.2254902 -0.2865108 0.1756600), wk = 0.0027027
k( 348) = ( 0.2156863 -0.2740538 0.1680226), wk = 0.0027027
k( 349) = ( 0.2058823 -0.2615968 0.1603852), wk = 0.0027027
k( 350) = ( 0.1960784 -0.2491398 0.1527478), wk = 0.0027027
k( 351) = ( 0.1862745 -0.2366828 0.1451104), wk = 0.0027027
k( 352) = ( 0.1764706 -0.2242258 0.1374730), wk = 0.0027027
k( 353) = ( 0.1666667 -0.2117688 0.1298357), wk = 0.0027027
k( 354) = ( 0.1568627 -0.1993118 0.1221983), wk = 0.0027027
k( 355) = ( 0.1470588 -0.1868548 0.1145609), wk = 0.0027027
k( 356) = ( 0.1372549 -0.1743979 0.1069235), wk = 0.0027027
k( 357) = ( 0.1274510 -0.1619409 0.0992861), wk = 0.0027027
k( 358) = ( 0.1176471 -0.1494839 0.0916487), wk = 0.0027027
k( 359) = ( 0.1078431 -0.1370269 0.0840113), wk = 0.0027027
k( 360) = ( 0.0980392 -0.1245699 0.0763739), wk = 0.0027027
k( 361) = ( 0.0882353 -0.1121129 0.0687365), wk = 0.0027027
k( 362) = ( 0.0784314 -0.0996559 0.0610991), wk = 0.0027027
k( 363) = ( 0.0686275 -0.0871989 0.0534617), wk = 0.0027027
k( 364) = ( 0.0588235 -0.0747419 0.0458243), wk = 0.0027027
k( 365) = ( 0.0490196 -0.0622850 0.0381870), wk = 0.0027027
k( 366) = ( 0.0392157 -0.0498280 0.0305496), wk = 0.0027027
k( 367) = ( 0.0294118 -0.0373710 0.0229122), wk = 0.0027027
k( 368) = ( 0.0196078 -0.0249140 0.0152748), wk = 0.0027027
k( 369) = ( 0.0098039 -0.0124570 0.0076374), wk = 0.0027027
k( 370) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027
k( 2) = ( 0.0156250 0.0156250 0.0000000), wk = 0.0027027
k( 3) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0027027
k( 4) = ( 0.0468750 0.0468750 0.0000000), wk = 0.0027027
k( 5) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0027027
k( 6) = ( 0.0781250 0.0781250 0.0000000), wk = 0.0027027
k( 7) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0027027
k( 8) = ( 0.1093750 0.1093750 0.0000000), wk = 0.0027027
k( 9) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0027027
k( 10) = ( 0.1406250 0.1406250 0.0000000), wk = 0.0027027
k( 11) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0027027
k( 12) = ( 0.1718750 0.1718750 0.0000000), wk = 0.0027027
k( 13) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0027027
k( 14) = ( 0.2031250 0.2031250 0.0000000), wk = 0.0027027
k( 15) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0027027
k( 16) = ( 0.2343750 0.2343750 0.0000000), wk = 0.0027027
k( 17) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0027027
k( 18) = ( 0.2656250 0.2656250 0.0000000), wk = 0.0027027
k( 19) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0027027
k( 20) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0027027
k( 21) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0027027
k( 22) = ( 0.3281250 0.3281250 0.0000000), wk = 0.0027027
k( 23) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0027027
k( 24) = ( 0.3593750 0.3593750 0.0000000), wk = 0.0027027
k( 25) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0027027
k( 26) = ( 0.3906250 0.3906250 0.0000000), wk = 0.0027027
k( 27) = ( 0.4062500 0.4062500 0.0000000), wk = 0.0027027
k( 28) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0027027
k( 29) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0027027
k( 30) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0027027
k( 31) = ( 0.4687500 0.4687500 0.0000000), wk = 0.0027027
k( 32) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0027027
k( 33) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027027
k( 34) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027027
k( 35) = ( 0.5046688 0.5046688 0.0189135), wk = 0.0027027
k( 36) = ( 0.5093376 0.5093376 0.0378271), wk = 0.0027027
k( 37) = ( 0.5140063 0.5140063 0.0567406), wk = 0.0027027
k( 38) = ( 0.5186751 0.5186751 0.0756541), wk = 0.0027027
k( 39) = ( 0.5233439 0.5233439 0.0945677), wk = 0.0027027
k( 40) = ( 0.5280127 0.5280127 0.1134812), wk = 0.0027027
k( 41) = ( 0.5326815 0.5326815 0.1323947), wk = 0.0027027
k( 42) = ( 0.5373503 0.5373503 0.1513083), wk = 0.0027027
k( 43) = ( 0.5420191 0.5420191 0.1702218), wk = 0.0027027
k( 44) = ( 0.5466878 0.5466878 0.1891353), wk = 0.0027027
k( 45) = ( 0.5513566 0.5513566 0.2080489), wk = 0.0027027
k( 46) = ( 0.5560254 0.5560254 0.2269624), wk = 0.0027027
k( 47) = ( 0.5606942 0.5606942 0.2458759), wk = 0.0027027
k( 48) = ( 0.5653630 0.5653630 0.2647895), wk = 0.0027027
k( 49) = ( 0.5700318 0.5700318 0.2837030), wk = 0.0027027
k( 50) = ( 0.5747005 0.5747005 0.3026165), wk = 0.0027027
k( 51) = ( 0.5793693 0.5793693 0.3215301), wk = 0.0027027
k( 52) = ( 0.5840381 0.5840381 0.3404436), wk = 0.0027027
k( 53) = ( 0.5887069 0.5887069 0.3593571), wk = 0.0027027
k( 54) = ( 0.5887069 0.5887069 0.3593571), wk = 0.0027027
k( 55) = ( 0.5806426 0.5806426 0.3721428), wk = 0.0027027
k( 56) = ( 0.5725784 0.5725784 0.3849285), wk = 0.0027027
k( 57) = ( 0.5645141 0.5645141 0.3977143), wk = 0.0027027
k( 58) = ( 0.5564499 0.5564499 0.4105000), wk = 0.0027027
k( 59) = ( 0.5483856 0.5483856 0.4232857), wk = 0.0027027
k( 60) = ( 0.5403213 0.5403213 0.4360714), wk = 0.0027027
k( 61) = ( 0.5322571 0.5322571 0.4488571), wk = 0.0027027
k( 62) = ( 0.5241928 0.5241928 0.4616428), wk = 0.0027027
k( 63) = ( 0.5161285 0.5161285 0.4744286), wk = 0.0027027
k( 64) = ( 0.5080643 0.5080643 0.4872143), wk = 0.0027027
k( 65) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027
k( 66) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027
k( 67) = ( 0.5056932 0.4943068 0.5000000), wk = 0.0027027
k( 68) = ( 0.5113863 0.4886137 0.5000000), wk = 0.0027027
k( 69) = ( 0.5170795 0.4829205 0.5000000), wk = 0.0027027
k( 70) = ( 0.5227726 0.4772273 0.5000000), wk = 0.0027027
k( 71) = ( 0.5284658 0.4715342 0.5000000), wk = 0.0027027
k( 72) = ( 0.5341590 0.4658410 0.5000000), wk = 0.0027027
k( 73) = ( 0.5398521 0.4601479 0.5000000), wk = 0.0027027
k( 74) = ( 0.5455453 0.4544547 0.5000000), wk = 0.0027027
k( 75) = ( 0.5512385 0.4487615 0.5000000), wk = 0.0027027
k( 76) = ( 0.5569316 0.4430684 0.5000000), wk = 0.0027027
k( 77) = ( 0.5626248 0.4373752 0.5000000), wk = 0.0027027
k( 78) = ( 0.5683180 0.4316820 0.5000000), wk = 0.0027027
k( 79) = ( 0.5740111 0.4259889 0.5000000), wk = 0.0027027
k( 80) = ( 0.5797043 0.4202957 0.5000000), wk = 0.0027027
k( 81) = ( 0.5853974 0.4146026 0.5000000), wk = 0.0027027
k( 82) = ( 0.5910906 0.4089094 0.5000000), wk = 0.0027027
k( 83) = ( 0.5967838 0.4032162 0.5000000), wk = 0.0027027
k( 84) = ( 0.6024769 0.3975231 0.5000000), wk = 0.0027027
k( 85) = ( 0.6081701 0.3918299 0.5000000), wk = 0.0027027
k( 86) = ( 0.6138633 0.3861367 0.5000000), wk = 0.0027027
k( 87) = ( 0.6195564 0.3804436 0.5000000), wk = 0.0027027
k( 88) = ( 0.6252496 0.3747504 0.5000000), wk = 0.0027027
k( 89) = ( 0.6309427 0.3690573 0.5000000), wk = 0.0027027
k( 90) = ( 0.6366359 0.3633641 0.5000000), wk = 0.0027027
k( 91) = ( 0.6423291 0.3576709 0.5000000), wk = 0.0027027
k( 92) = ( 0.6480222 0.3519778 0.5000000), wk = 0.0027027
k( 93) = ( 0.6537154 0.3462846 0.5000000), wk = 0.0027027
k( 94) = ( 0.6594086 0.3405914 0.5000000), wk = 0.0027027
k( 95) = ( 0.6651017 0.3348983 0.5000000), wk = 0.0027027
k( 96) = ( 0.6707949 0.3292051 0.5000000), wk = 0.0027027
k( 97) = ( 0.6764881 0.3235119 0.5000000), wk = 0.0027027
k( 98) = ( 0.6821812 0.3178188 0.5000000), wk = 0.0027027
k( 99) = ( 0.6878744 0.3121256 0.5000000), wk = 0.0027027
k( 100) = ( 0.6935676 0.3064325 0.5000000), wk = 0.0027027
k( 101) = ( 0.6992607 0.3007393 0.5000000), wk = 0.0027027
k( 102) = ( 0.7049539 0.2950461 0.5000000), wk = 0.0027027
k( 103) = ( 0.7106470 0.2893530 0.5000000), wk = 0.0027027
k( 104) = ( 0.7163402 0.2836598 0.5000000), wk = 0.0027027
k( 105) = ( 0.7220334 0.2779666 0.5000000), wk = 0.0027027
k( 106) = ( 0.7277265 0.2722735 0.5000000), wk = 0.0027027
k( 107) = ( 0.7334197 0.2665803 0.5000000), wk = 0.0027027
k( 108) = ( 0.2665803 -0.2665803 0.5000000), wk = 0.0027027
k( 109) = ( 0.2609084 -0.2609084 0.5000000), wk = 0.0027027
k( 110) = ( 0.2552365 -0.2552365 0.5000000), wk = 0.0027027
k( 111) = ( 0.2495645 -0.2495645 0.5000000), wk = 0.0027027
k( 112) = ( 0.2438926 -0.2438926 0.5000000), wk = 0.0027027
k( 113) = ( 0.2382207 -0.2382207 0.5000000), wk = 0.0027027
k( 114) = ( 0.2325488 -0.2325488 0.5000000), wk = 0.0027027
k( 115) = ( 0.2268769 -0.2268769 0.5000000), wk = 0.0027027
k( 116) = ( 0.2212049 -0.2212049 0.5000000), wk = 0.0027027
k( 117) = ( 0.2155330 -0.2155330 0.5000000), wk = 0.0027027
k( 118) = ( 0.2098611 -0.2098611 0.5000000), wk = 0.0027027
k( 119) = ( 0.2041892 -0.2041892 0.5000000), wk = 0.0027027
k( 120) = ( 0.1985173 -0.1985173 0.5000000), wk = 0.0027027
k( 121) = ( 0.1928453 -0.1928453 0.5000000), wk = 0.0027027
k( 122) = ( 0.1871734 -0.1871734 0.5000000), wk = 0.0027027
k( 123) = ( 0.1815015 -0.1815015 0.5000000), wk = 0.0027027
k( 124) = ( 0.1758296 -0.1758296 0.5000000), wk = 0.0027027
k( 125) = ( 0.1701576 -0.1701576 0.5000000), wk = 0.0027027
k( 126) = ( 0.1644857 -0.1644857 0.5000000), wk = 0.0027027
k( 127) = ( 0.1588138 -0.1588138 0.5000000), wk = 0.0027027
k( 128) = ( 0.1531419 -0.1531419 0.5000000), wk = 0.0027027
k( 129) = ( 0.1474700 -0.1474700 0.5000000), wk = 0.0027027
k( 130) = ( 0.1417980 -0.1417980 0.5000000), wk = 0.0027027
k( 131) = ( 0.1361261 -0.1361261 0.5000000), wk = 0.0027027
k( 132) = ( 0.1304542 -0.1304542 0.5000000), wk = 0.0027027
k( 133) = ( 0.1247823 -0.1247823 0.5000000), wk = 0.0027027
k( 134) = ( 0.1191104 -0.1191104 0.5000000), wk = 0.0027027
k( 135) = ( 0.1134384 -0.1134384 0.5000000), wk = 0.0027027
k( 136) = ( 0.1077665 -0.1077665 0.5000000), wk = 0.0027027
k( 137) = ( 0.1020946 -0.1020946 0.5000000), wk = 0.0027027
k( 138) = ( 0.0964227 -0.0964227 0.5000000), wk = 0.0027027
k( 139) = ( 0.0907507 -0.0907507 0.5000000), wk = 0.0027027
k( 140) = ( 0.0850788 -0.0850788 0.5000000), wk = 0.0027027
k( 141) = ( 0.0794069 -0.0794069 0.5000000), wk = 0.0027027
k( 142) = ( 0.0737350 -0.0737350 0.5000000), wk = 0.0027027
k( 143) = ( 0.0680631 -0.0680631 0.5000000), wk = 0.0027027
k( 144) = ( 0.0623911 -0.0623911 0.5000000), wk = 0.0027027
k( 145) = ( 0.0567192 -0.0567192 0.5000000), wk = 0.0027027
k( 146) = ( 0.0510473 -0.0510473 0.5000000), wk = 0.0027027
k( 147) = ( 0.0453754 -0.0453754 0.5000000), wk = 0.0027027
k( 148) = ( 0.0397035 -0.0397034 0.5000000), wk = 0.0027027
k( 149) = ( 0.0340315 -0.0340315 0.5000000), wk = 0.0027027
k( 150) = ( 0.0283596 -0.0283596 0.5000000), wk = 0.0027027
k( 151) = ( 0.0226877 -0.0226877 0.5000000), wk = 0.0027027
k( 152) = ( 0.0170158 -0.0170158 0.5000000), wk = 0.0027027
k( 153) = ( 0.0113438 -0.0113438 0.5000000), wk = 0.0027027
k( 154) = ( 0.0056719 -0.0056719 0.5000000), wk = 0.0027027
k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027
k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027
k( 157) = ( 0.0164517 0.0164517 0.5056257), wk = 0.0027027
k( 158) = ( 0.0329035 0.0329035 0.5112514), wk = 0.0027027
k( 159) = ( 0.0493552 0.0493552 0.5168772), wk = 0.0027027
k( 160) = ( 0.0658069 0.0658069 0.5225029), wk = 0.0027027
k( 161) = ( 0.0822586 0.0822586 0.5281286), wk = 0.0027027
k( 162) = ( 0.0987103 0.0987103 0.5337543), wk = 0.0027027
k( 163) = ( 0.1151621 0.1151621 0.5393800), wk = 0.0027027
k( 164) = ( 0.1316138 0.1316138 0.5450057), wk = 0.0027027
k( 165) = ( 0.1480655 0.1480655 0.5506314), wk = 0.0027027
k( 166) = ( 0.1645172 0.1645172 0.5562571), wk = 0.0027027
k( 167) = ( 0.1809690 0.1809690 0.5618829), wk = 0.0027027
k( 168) = ( 0.1974207 0.1974207 0.5675086), wk = 0.0027027
k( 169) = ( 0.2138724 0.2138724 0.5731343), wk = 0.0027027
k( 170) = ( 0.2303241 0.2303241 0.5787600), wk = 0.0027027
k( 171) = ( 0.2467759 0.2467759 0.5843857), wk = 0.0027027
k( 172) = ( 0.2632276 0.2632276 0.5900114), wk = 0.0027027
k( 173) = ( 0.2796793 0.2796793 0.5956372), wk = 0.0027027
k( 174) = ( 0.2961310 0.2961310 0.6012629), wk = 0.0027027
k( 175) = ( 0.3125828 0.3125828 0.6068886), wk = 0.0027027
k( 176) = ( 0.3290345 0.3290345 0.6125143), wk = 0.0027027
k( 177) = ( 0.3454862 0.3454862 0.6181400), wk = 0.0027027
k( 178) = ( 0.3619379 0.3619379 0.6237657), wk = 0.0027027
k( 179) = ( 0.3783897 0.3783897 0.6293914), wk = 0.0027027
k( 180) = ( 0.3948414 0.3948414 0.6350172), wk = 0.0027027
k( 181) = ( 0.4112931 0.4112931 0.6406429), wk = 0.0027027
k( 182) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027027
k( 183) = ( 0.5057172 0.4942828 0.0000000), wk = 0.0027027
k( 184) = ( 0.5114343 0.4885657 0.0000000), wk = 0.0027027
k( 185) = ( 0.5171515 0.4828485 0.0000000), wk = 0.0027027
k( 186) = ( 0.5228687 0.4771314 0.0000000), wk = 0.0027027
k( 187) = ( 0.5285858 0.4714142 0.0000000), wk = 0.0027027
k( 188) = ( 0.5343030 0.4656970 0.0000000), wk = 0.0027027
k( 189) = ( 0.5400201 0.4599799 0.0000000), wk = 0.0027027
k( 190) = ( 0.5457373 0.4542627 -0.0000000), wk = 0.0027027
k( 191) = ( 0.5514545 0.4485455 0.0000000), wk = 0.0027027
k( 192) = ( 0.5571716 0.4428284 0.0000000), wk = 0.0027027
k( 193) = ( 0.5628888 0.4371112 0.0000000), wk = 0.0027027
k( 194) = ( 0.5686059 0.4313941 0.0000000), wk = 0.0027027
k( 195) = ( 0.5743231 0.4256769 0.0000000), wk = 0.0027027
k( 196) = ( 0.5800403 0.4199597 0.0000000), wk = 0.0027027
k( 197) = ( 0.5857574 0.4142426 0.0000000), wk = 0.0027027
k( 198) = ( 0.5914746 0.4085254 0.0000000), wk = 0.0027027
k( 199) = ( 0.5971918 0.4028082 0.0000000), wk = 0.0027027
k( 200) = ( 0.6029089 0.3970911 0.0000000), wk = 0.0027027
k( 201) = ( 0.6086261 0.3913739 0.0000000), wk = 0.0027027
k( 202) = ( 0.6143432 0.3856568 0.0000000), wk = 0.0027027
k( 203) = ( 0.6200604 0.3799396 0.0000000), wk = 0.0027027
k( 204) = ( 0.6257776 0.3742224 0.0000000), wk = 0.0027027
k( 205) = ( 0.6314947 0.3685053 0.0000000), wk = 0.0027027
k( 206) = ( 0.6372119 0.3627881 -0.0000000), wk = 0.0027027
k( 207) = ( 0.6429290 0.3570710 -0.0000000), wk = 0.0027027
k( 208) = ( 0.6486462 0.3513538 -0.0000000), wk = 0.0027027
k( 209) = ( 0.6543634 0.3456366 0.0000000), wk = 0.0027027
k( 210) = ( 0.6600805 0.3399195 0.0000000), wk = 0.0027027
k( 211) = ( 0.6657977 0.3342023 0.0000000), wk = 0.0027027
k( 212) = ( 0.6715148 0.3284852 0.0000000), wk = 0.0027027
k( 213) = ( 0.6772320 0.3227680 0.0000000), wk = 0.0027027
k( 214) = ( 0.6829492 0.3170508 0.0000000), wk = 0.0027027
k( 215) = ( 0.6886663 0.3113337 0.0000000), wk = 0.0027027
k( 216) = ( 0.6943835 0.3056165 0.0000000), wk = 0.0027027
k( 217) = ( 0.7001007 0.2998993 0.0000000), wk = 0.0027027
k( 218) = ( 0.7058178 0.2941822 0.0000000), wk = 0.0027027
k( 219) = ( 0.7115350 0.2884650 0.0000000), wk = 0.0027027
k( 220) = ( 0.7172521 0.2827479 0.0000000), wk = 0.0027027
k( 221) = ( 0.2827479 -0.2827479 0.0000000), wk = 0.0027027
k( 222) = ( 0.2769775 -0.2769775 0.0000000), wk = 0.0027027
k( 223) = ( 0.2712071 -0.2712071 0.0000000), wk = 0.0027027
k( 224) = ( 0.2654368 -0.2654368 0.0000000), wk = 0.0027027
k( 225) = ( 0.2596664 -0.2596664 0.0000000), wk = 0.0027027
k( 226) = ( 0.2538960 -0.2538960 0.0000000), wk = 0.0027027
k( 227) = ( 0.2481257 -0.2481257 0.0000000), wk = 0.0027027
k( 228) = ( 0.2423553 -0.2423553 0.0000000), wk = 0.0027027
k( 229) = ( 0.2365849 -0.2365849 0.0000000), wk = 0.0027027
k( 230) = ( 0.2308146 -0.2308146 0.0000000), wk = 0.0027027
k( 231) = ( 0.2250442 -0.2250442 0.0000000), wk = 0.0027027
k( 232) = ( 0.2192738 -0.2192738 0.0000000), wk = 0.0027027
k( 233) = ( 0.2135035 -0.2135035 0.0000000), wk = 0.0027027
k( 234) = ( 0.2077331 -0.2077331 0.0000000), wk = 0.0027027
k( 235) = ( 0.2019627 -0.2019628 0.0000000), wk = 0.0027027
k( 236) = ( 0.1961924 -0.1961924 0.0000000), wk = 0.0027027
k( 237) = ( 0.1904220 -0.1904220 0.0000000), wk = 0.0027027
k( 238) = ( 0.1846517 -0.1846517 0.0000000), wk = 0.0027027
k( 239) = ( 0.1788813 -0.1788813 -0.0000000), wk = 0.0027027
k( 240) = ( 0.1731109 -0.1731109 0.0000000), wk = 0.0027027
k( 241) = ( 0.1673406 -0.1673406 -0.0000000), wk = 0.0027027
k( 242) = ( 0.1615702 -0.1615702 0.0000000), wk = 0.0027027
k( 243) = ( 0.1557998 -0.1557998 0.0000000), wk = 0.0027027
k( 244) = ( 0.1500295 -0.1500295 0.0000000), wk = 0.0027027
k( 245) = ( 0.1442591 -0.1442591 0.0000000), wk = 0.0027027
k( 246) = ( 0.1384887 -0.1384887 0.0000000), wk = 0.0027027
k( 247) = ( 0.1327184 -0.1327184 0.0000000), wk = 0.0027027
k( 248) = ( 0.1269480 -0.1269480 0.0000000), wk = 0.0027027
k( 249) = ( 0.1211776 -0.1211776 0.0000000), wk = 0.0027027
k( 250) = ( 0.1154073 -0.1154073 0.0000000), wk = 0.0027027
k( 251) = ( 0.1096369 -0.1096369 0.0000000), wk = 0.0027027
k( 252) = ( 0.1038666 -0.1038666 0.0000000), wk = 0.0027027
k( 253) = ( 0.0980962 -0.0980962 0.0000000), wk = 0.0027027
k( 254) = ( 0.0923258 -0.0923258 0.0000000), wk = 0.0027027
k( 255) = ( 0.0865555 -0.0865555 0.0000000), wk = 0.0027027
k( 256) = ( 0.0807851 -0.0807851 0.0000000), wk = 0.0027027
k( 257) = ( 0.0750147 -0.0750147 0.0000000), wk = 0.0027027
k( 258) = ( 0.0692444 -0.0692444 0.0000000), wk = 0.0027027
k( 259) = ( 0.0634740 -0.0634740 0.0000000), wk = 0.0027027
k( 260) = ( 0.0577036 -0.0577036 -0.0000000), wk = 0.0027027
k( 261) = ( 0.0519333 -0.0519333 0.0000000), wk = 0.0027027
k( 262) = ( 0.0461629 -0.0461629 0.0000000), wk = 0.0027027
k( 263) = ( 0.0403925 -0.0403925 0.0000000), wk = 0.0027027
k( 264) = ( 0.0346222 -0.0346222 0.0000000), wk = 0.0027027
k( 265) = ( 0.0288518 -0.0288518 -0.0000000), wk = 0.0027027
k( 266) = ( 0.0230815 -0.0230815 0.0000000), wk = 0.0027027
k( 267) = ( 0.0173111 -0.0173111 0.0000000), wk = 0.0027027
k( 268) = ( 0.0115407 -0.0115407 0.0000000), wk = 0.0027027
k( 269) = ( 0.0057704 -0.0057704 0.0000000), wk = 0.0027027
k( 270) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027
k( 271) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027
k( 272) = ( 0.0106383 0.0000000 0.0000000), wk = 0.0027027
k( 273) = ( 0.0212766 0.0000000 0.0000000), wk = 0.0027027
k( 274) = ( 0.0319149 0.0000000 0.0000000), wk = 0.0027027
k( 275) = ( 0.0425532 0.0000000 0.0000000), wk = 0.0027027
k( 276) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0027027
k( 277) = ( 0.0638298 0.0000000 0.0000000), wk = 0.0027027
k( 278) = ( 0.0744681 0.0000000 0.0000000), wk = 0.0027027
k( 279) = ( 0.0851064 0.0000000 0.0000000), wk = 0.0027027
k( 280) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0027027
k( 281) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0027027
k( 282) = ( 0.1170213 0.0000000 -0.0000000), wk = 0.0027027
k( 283) = ( 0.1276596 0.0000000 -0.0000000), wk = 0.0027027
k( 284) = ( 0.1382979 0.0000000 0.0000000), wk = 0.0027027
k( 285) = ( 0.1489362 0.0000000 0.0000000), wk = 0.0027027
k( 286) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0027027
k( 287) = ( 0.1702128 0.0000000 0.0000000), wk = 0.0027027
k( 288) = ( 0.1808511 0.0000000 0.0000000), wk = 0.0027027
k( 289) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0027027
k( 290) = ( 0.2021277 0.0000000 0.0000000), wk = 0.0027027
k( 291) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0027027
k( 292) = ( 0.2234043 0.0000000 0.0000000), wk = 0.0027027
k( 293) = ( 0.2340425 0.0000000 0.0000000), wk = 0.0027027
k( 294) = ( 0.2446809 0.0000000 0.0000000), wk = 0.0027027
k( 295) = ( 0.2553191 0.0000000 0.0000000), wk = 0.0027027
k( 296) = ( 0.2659574 0.0000000 0.0000000), wk = 0.0027027
k( 297) = ( 0.2765957 0.0000000 0.0000000), wk = 0.0027027
k( 298) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0027027
k( 299) = ( 0.2978723 0.0000000 0.0000000), wk = 0.0027027
k( 300) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0027027
k( 301) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0027027
k( 302) = ( 0.3297872 0.0000000 0.0000000), wk = 0.0027027
k( 303) = ( 0.3404255 0.0000000 0.0000000), wk = 0.0027027
k( 304) = ( 0.3510638 0.0000000 0.0000000), wk = 0.0027027
k( 305) = ( 0.3617021 0.0000000 0.0000000), wk = 0.0027027
k( 306) = ( 0.3723404 0.0000000 0.0000000), wk = 0.0027027
k( 307) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0027027
k( 308) = ( 0.3936170 0.0000000 -0.0000000), wk = 0.0027027
k( 309) = ( 0.4042553 0.0000000 0.0000000), wk = 0.0027027
k( 310) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0027027
k( 311) = ( 0.4255319 -0.0000000 0.0000000), wk = 0.0027027
k( 312) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0027027
k( 313) = ( 0.4468085 0.0000000 0.0000000), wk = 0.0027027
k( 314) = ( 0.4574468 0.0000000 0.0000000), wk = 0.0027027
k( 315) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0027027
k( 316) = ( 0.4787234 0.0000000 0.0000000), wk = 0.0027027
k( 317) = ( 0.4893617 0.0000000 0.0000000), wk = 0.0027027
k( 318) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027027
k( 319) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027027
k( 320) = ( 0.4901961 0.0000000 0.4901961), wk = 0.0027027
k( 321) = ( 0.4803922 0.0000000 0.4803922), wk = 0.0027027
k( 322) = ( 0.4705882 0.0000000 0.4705882), wk = 0.0027027
k( 323) = ( 0.4607843 0.0000000 0.4607843), wk = 0.0027027
k( 324) = ( 0.4509804 0.0000000 0.4509804), wk = 0.0027027
k( 325) = ( 0.4411765 0.0000000 0.4411765), wk = 0.0027027
k( 326) = ( 0.4313726 0.0000000 0.4313725), wk = 0.0027027
k( 327) = ( 0.4215686 0.0000000 0.4215686), wk = 0.0027027
k( 328) = ( 0.4117647 0.0000000 0.4117647), wk = 0.0027027
k( 329) = ( 0.4019608 0.0000000 0.4019608), wk = 0.0027027
k( 330) = ( 0.3921569 0.0000000 0.3921569), wk = 0.0027027
k( 331) = ( 0.3823529 0.0000000 0.3823529), wk = 0.0027027
k( 332) = ( 0.3725490 0.0000000 0.3725490), wk = 0.0027027
k( 333) = ( 0.3627451 0.0000000 0.3627451), wk = 0.0027027
k( 334) = ( 0.3529412 0.0000000 0.3529412), wk = 0.0027027
k( 335) = ( 0.3431373 0.0000000 0.3431373), wk = 0.0027027
k( 336) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0027027
k( 337) = ( 0.3235294 0.0000000 0.3235294), wk = 0.0027027
k( 338) = ( 0.3137255 0.0000000 0.3137255), wk = 0.0027027
k( 339) = ( 0.3039216 0.0000000 0.3039216), wk = 0.0027027
k( 340) = ( 0.2941177 0.0000000 0.2941177), wk = 0.0027027
k( 341) = ( 0.2843137 0.0000000 0.2843137), wk = 0.0027027
k( 342) = ( 0.2745098 0.0000000 0.2745098), wk = 0.0027027
k( 343) = ( 0.2647059 0.0000000 0.2647059), wk = 0.0027027
k( 344) = ( 0.2549020 0.0000000 0.2549020), wk = 0.0027027
k( 345) = ( 0.2450980 0.0000000 0.2450980), wk = 0.0027027
k( 346) = ( 0.2352941 0.0000000 0.2352941), wk = 0.0027027
k( 347) = ( 0.2254902 0.0000000 0.2254902), wk = 0.0027027
k( 348) = ( 0.2156863 0.0000000 0.2156863), wk = 0.0027027
k( 349) = ( 0.2058823 0.0000000 0.2058823), wk = 0.0027027
k( 350) = ( 0.1960784 0.0000000 0.1960784), wk = 0.0027027
k( 351) = ( 0.1862745 0.0000000 0.1862745), wk = 0.0027027
k( 352) = ( 0.1764706 0.0000000 0.1764706), wk = 0.0027027
k( 353) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0027027
k( 354) = ( 0.1568627 0.0000000 0.1568627), wk = 0.0027027
k( 355) = ( 0.1470588 0.0000000 0.1470588), wk = 0.0027027
k( 356) = ( 0.1372549 0.0000000 0.1372549), wk = 0.0027027
k( 357) = ( 0.1274510 0.0000000 0.1274510), wk = 0.0027027
k( 358) = ( 0.1176471 0.0000000 0.1176471), wk = 0.0027027
k( 359) = ( 0.1078431 0.0000000 0.1078431), wk = 0.0027027
k( 360) = ( 0.0980392 0.0000000 0.0980392), wk = 0.0027027
k( 361) = ( 0.0882353 -0.0000000 0.0882353), wk = 0.0027027
k( 362) = ( 0.0784314 0.0000000 0.0784314), wk = 0.0027027
k( 363) = ( 0.0686275 0.0000000 0.0686275), wk = 0.0027027
k( 364) = ( 0.0588235 0.0000000 0.0588235), wk = 0.0027027
k( 365) = ( 0.0490196 0.0000000 0.0490196), wk = 0.0027027
k( 366) = ( 0.0392157 0.0000000 0.0392157), wk = 0.0027027
k( 367) = ( 0.0294118 0.0000000 0.0294118), wk = 0.0027027
k( 368) = ( 0.0196078 0.0000000 0.0196078), wk = 0.0027027
k( 369) = ( 0.0098039 0.0000000 0.0098039), wk = 0.0027027
k( 370) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027
Dense grid: 75517 G-vectors FFT dimensions: ( 64, 64, 72)
Smooth grid: 29857 G-vectors FFT dimensions: ( 45, 45, 50)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.16 Mb ( 220, 48)
NL pseudopotentials 0.27 Mb ( 110, 158)
Each V/rho on FFT grid 0.12 Mb ( 8192)
Each G-vector array 0.02 Mb ( 2097)
G-vector shells 0.02 Mb ( 2097)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.64 Mb ( 220, 192)
Each subspace H/S matrix 0.04 Mb ( 48, 48)
Each <psi_i|beta_j> matrix 0.23 Mb ( 158, 2, 48)
Check: negative/imaginary core charge= -0.000005 0.000000
The potential is recalculated from file :
./NiC2xSNx2.save/charge-density.dat
Starting wfc are 66 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 4.5 secs
Computing kpt #: 2
total cpu time spent up to now is 5.0 secs
Computing kpt #: 3
total cpu time spent up to now is 5.6 secs
Computing kpt #: 4
total cpu time spent up to now is 6.1 secs
Computing kpt #: 5
total cpu time spent up to now is 6.6 secs
Computing kpt #: 6
total cpu time spent up to now is 7.1 secs
Computing kpt #: 7
total cpu time spent up to now is 7.6 secs
Computing kpt #: 8
total cpu time spent up to now is 8.1 secs
Computing kpt #: 9
total cpu time spent up to now is 8.7 secs
Computing kpt #: 10
total cpu time spent up to now is 9.3 secs
Computing kpt #: 11
total cpu time spent up to now is 9.8 secs
Computing kpt #: 12
total cpu time spent up to now is 10.4 secs
Computing kpt #: 13
total cpu time spent up to now is 11.0 secs
Computing kpt #: 14
total cpu time spent up to now is 11.6 secs
Computing kpt #: 15
total cpu time spent up to now is 12.3 secs
Computing kpt #: 16
total cpu time spent up to now is 13.0 secs
Computing kpt #: 17
total cpu time spent up to now is 13.6 secs
Computing kpt #: 18
total cpu time spent up to now is 14.2 secs
Computing kpt #: 19
total cpu time spent up to now is 14.8 secs
Computing kpt #: 20
total cpu time spent up to now is 15.3 secs
Computing kpt #: 21
total cpu time spent up to now is 15.8 secs
Computing kpt #: 22
total cpu time spent up to now is 16.3 secs
Computing kpt #: 23
total cpu time spent up to now is 16.8 secs
Computing kpt #: 24
total cpu time spent up to now is 17.3 secs
Computing kpt #: 25
total cpu time spent up to now is 17.8 secs
Computing kpt #: 26
total cpu time spent up to now is 18.3 secs
Computing kpt #: 27
total cpu time spent up to now is 18.8 secs
Computing kpt #: 28
total cpu time spent up to now is 19.3 secs
Computing kpt #: 29
total cpu time spent up to now is 19.7 secs
Computing kpt #: 30
total cpu time spent up to now is 20.2 secs
Computing kpt #: 31
total cpu time spent up to now is 20.7 secs
Computing kpt #: 32
total cpu time spent up to now is 21.2 secs
Computing kpt #: 33
total cpu time spent up to now is 21.7 secs
Computing kpt #: 34
total cpu time spent up to now is 22.1 secs
Computing kpt #: 35
total cpu time spent up to now is 22.6 secs
Computing kpt #: 36
total cpu time spent up to now is 23.1 secs
Computing kpt #: 37
total cpu time spent up to now is 23.6 secs
Computing kpt #: 38
total cpu time spent up to now is 24.1 secs
Computing kpt #: 39
total cpu time spent up to now is 24.6 secs
Computing kpt #: 40
total cpu time spent up to now is 25.1 secs
Computing kpt #: 41
total cpu time spent up to now is 25.6 secs
Computing kpt #: 42
total cpu time spent up to now is 26.1 secs
Computing kpt #: 43
total cpu time spent up to now is 26.6 secs
Computing kpt #: 44
total cpu time spent up to now is 27.1 secs
Computing kpt #: 45
total cpu time spent up to now is 27.6 secs
Computing kpt #: 46
total cpu time spent up to now is 28.1 secs
Computing kpt #: 47
total cpu time spent up to now is 28.6 secs
Computing kpt #: 48
total cpu time spent up to now is 29.1 secs
Computing kpt #: 49
total cpu time spent up to now is 29.6 secs
Computing kpt #: 50
total cpu time spent up to now is 30.1 secs
Computing kpt #: 51
total cpu time spent up to now is 30.7 secs
Computing kpt #: 52
total cpu time spent up to now is 31.3 secs
Computing kpt #: 53
total cpu time spent up to now is 31.9 secs
Computing kpt #: 54
total cpu time spent up to now is 32.5 secs
Computing kpt #: 55
total cpu time spent up to now is 33.0 secs
Computing kpt #: 56
total cpu time spent up to now is 33.5 secs
Computing kpt #: 57
total cpu time spent up to now is 34.0 secs
Computing kpt #: 58
total cpu time spent up to now is 34.5 secs
Computing kpt #: 59
total cpu time spent up to now is 35.0 secs
Computing kpt #: 60
total cpu time spent up to now is 35.5 secs
Computing kpt #: 61
total cpu time spent up to now is 36.0 secs
Computing kpt #: 62
total cpu time spent up to now is 36.5 secs
Computing kpt #: 63
total cpu time spent up to now is 37.0 secs
Computing kpt #: 64
total cpu time spent up to now is 37.5 secs
Computing kpt #: 65
total cpu time spent up to now is 38.0 secs
Computing kpt #: 66
total cpu time spent up to now is 38.5 secs
Computing kpt #: 67
total cpu time spent up to now is 39.0 secs
Computing kpt #: 68
total cpu time spent up to now is 39.5 secs
Computing kpt #: 69
total cpu time spent up to now is 40.0 secs
Computing kpt #: 70
total cpu time spent up to now is 40.5 secs
Computing kpt #: 71
total cpu time spent up to now is 41.0 secs
Computing kpt #: 72
total cpu time spent up to now is 41.5 secs
Computing kpt #: 73
total cpu time spent up to now is 42.0 secs
Computing kpt #: 74
total cpu time spent up to now is 42.5 secs
Computing kpt #: 75
total cpu time spent up to now is 43.0 secs
Computing kpt #: 76
total cpu time spent up to now is 43.5 secs
Computing kpt #: 77
total cpu time spent up to now is 44.0 secs
Computing kpt #: 78
total cpu time spent up to now is 44.5 secs
Computing kpt #: 79
total cpu time spent up to now is 45.0 secs
Computing kpt #: 80
total cpu time spent up to now is 45.5 secs
Computing kpt #: 81
total cpu time spent up to now is 46.0 secs
Computing kpt #: 82
total cpu time spent up to now is 46.5 secs
Computing kpt #: 83
total cpu time spent up to now is 47.0 secs
Computing kpt #: 84
total cpu time spent up to now is 47.5 secs
Computing kpt #: 85
total cpu time spent up to now is 48.1 secs
Computing kpt #: 86
total cpu time spent up to now is 48.6 secs
Computing kpt #: 87
total cpu time spent up to now is 49.1 secs
Computing kpt #: 88
total cpu time spent up to now is 49.6 secs
Computing kpt #: 89
total cpu time spent up to now is 50.1 secs
Computing kpt #: 90
total cpu time spent up to now is 50.7 secs
Computing kpt #: 91
total cpu time spent up to now is 51.2 secs
Computing kpt #: 92
total cpu time spent up to now is 51.7 secs
Computing kpt #: 93
total cpu time spent up to now is 52.2 secs
Computing kpt #: 94
total cpu time spent up to now is 52.6 secs
Computing kpt #: 95
total cpu time spent up to now is 53.1 secs
Computing kpt #: 96
total cpu time spent up to now is 53.6 secs
Computing kpt #: 97
total cpu time spent up to now is 54.0 secs
Computing kpt #: 98
total cpu time spent up to now is 54.5 secs
Computing kpt #: 99
total cpu time spent up to now is 55.0 secs
Computing kpt #: 100
total cpu time spent up to now is 55.4 secs
Computing kpt #: 101
total cpu time spent up to now is 55.9 secs
Computing kpt #: 102
total cpu time spent up to now is 56.3 secs
Computing kpt #: 103
total cpu time spent up to now is 56.8 secs
Computing kpt #: 104
total cpu time spent up to now is 57.2 secs
Computing kpt #: 105
total cpu time spent up to now is 57.7 secs
Computing kpt #: 106
total cpu time spent up to now is 58.2 secs
Computing kpt #: 107
total cpu time spent up to now is 58.6 secs
Computing kpt #: 108
total cpu time spent up to now is 59.1 secs
Computing kpt #: 109
total cpu time spent up to now is 59.5 secs
Computing kpt #: 110
total cpu time spent up to now is 60.0 secs
Computing kpt #: 111
total cpu time spent up to now is 60.4 secs
Computing kpt #: 112
total cpu time spent up to now is 60.9 secs
Computing kpt #: 113
total cpu time spent up to now is 61.3 secs
Computing kpt #: 114
total cpu time spent up to now is 61.8 secs
Computing kpt #: 115
total cpu time spent up to now is 62.2 secs
Computing kpt #: 116
total cpu time spent up to now is 62.7 secs
Computing kpt #: 117
total cpu time spent up to now is 63.1 secs
Computing kpt #: 118
total cpu time spent up to now is 63.6 secs
Computing kpt #: 119
total cpu time spent up to now is 64.0 secs
Computing kpt #: 120
total cpu time spent up to now is 64.5 secs
Computing kpt #: 121
total cpu time spent up to now is 65.0 secs
Computing kpt #: 122
total cpu time spent up to now is 65.4 secs
Computing kpt #: 123
total cpu time spent up to now is 65.9 secs
Computing kpt #: 124
total cpu time spent up to now is 66.4 secs
Computing kpt #: 125
total cpu time spent up to now is 66.8 secs
Computing kpt #: 126
total cpu time spent up to now is 67.3 secs
Computing kpt #: 127
total cpu time spent up to now is 67.8 secs
Computing kpt #: 128
total cpu time spent up to now is 68.3 secs
Computing kpt #: 129
total cpu time spent up to now is 68.8 secs
Computing kpt #: 130
total cpu time spent up to now is 69.3 secs
Computing kpt #: 131
total cpu time spent up to now is 69.8 secs
Computing kpt #: 132
total cpu time spent up to now is 70.3 secs
Computing kpt #: 133
total cpu time spent up to now is 70.8 secs
Computing kpt #: 134
total cpu time spent up to now is 71.3 secs
Computing kpt #: 135
total cpu time spent up to now is 71.8 secs
Computing kpt #: 136
total cpu time spent up to now is 72.3 secs
Computing kpt #: 137
total cpu time spent up to now is 72.7 secs
Computing kpt #: 138
total cpu time spent up to now is 73.2 secs
Computing kpt #: 139
total cpu time spent up to now is 73.7 secs
Computing kpt #: 140
total cpu time spent up to now is 74.2 secs
Computing kpt #: 141
total cpu time spent up to now is 74.8 secs
Computing kpt #: 142
total cpu time spent up to now is 75.3 secs
Computing kpt #: 143
total cpu time spent up to now is 75.9 secs
Computing kpt #: 144
total cpu time spent up to now is 76.5 secs
Computing kpt #: 145
total cpu time spent up to now is 77.0 secs
Computing kpt #: 146
total cpu time spent up to now is 77.5 secs
Computing kpt #: 147
total cpu time spent up to now is 78.1 secs
Computing kpt #: 148
total cpu time spent up to now is 78.6 secs
Computing kpt #: 149
total cpu time spent up to now is 79.2 secs
Computing kpt #: 150
total cpu time spent up to now is 79.7 secs
Computing kpt #: 151
total cpu time spent up to now is 80.2 secs
Computing kpt #: 152
total cpu time spent up to now is 80.8 secs
Computing kpt #: 153
total cpu time spent up to now is 81.4 secs
Computing kpt #: 154
total cpu time spent up to now is 81.9 secs
Computing kpt #: 155
total cpu time spent up to now is 82.5 secs
Computing kpt #: 156
total cpu time spent up to now is 83.1 secs
Computing kpt #: 157
total cpu time spent up to now is 83.7 secs
Computing kpt #: 158
total cpu time spent up to now is 84.2 secs
Computing kpt #: 159
total cpu time spent up to now is 84.8 secs
Computing kpt #: 160
total cpu time spent up to now is 85.4 secs
Computing kpt #: 161
total cpu time spent up to now is 86.0 secs
Computing kpt #: 162
total cpu time spent up to now is 86.6 secs
Computing kpt #: 163
total cpu time spent up to now is 87.2 secs
Computing kpt #: 164
total cpu time spent up to now is 87.8 secs
Computing kpt #: 165
total cpu time spent up to now is 88.4 secs
Computing kpt #: 166
total cpu time spent up to now is 88.9 secs
Computing kpt #: 167
total cpu time spent up to now is 89.5 secs
Computing kpt #: 168
total cpu time spent up to now is 90.0 secs
Computing kpt #: 169
total cpu time spent up to now is 90.6 secs
Computing kpt #: 170
total cpu time spent up to now is 91.2 secs
Computing kpt #: 171
total cpu time spent up to now is 91.8 secs
Computing kpt #: 172
total cpu time spent up to now is 92.3 secs
Computing kpt #: 173
total cpu time spent up to now is 92.9 secs
Computing kpt #: 174
total cpu time spent up to now is 93.3 secs
Computing kpt #: 175
total cpu time spent up to now is 93.8 secs
Computing kpt #: 176
total cpu time spent up to now is 94.3 secs
Computing kpt #: 177
total cpu time spent up to now is 94.8 secs
Computing kpt #: 178
total cpu time spent up to now is 95.3 secs
Computing kpt #: 179
total cpu time spent up to now is 95.7 secs
Computing kpt #: 180
total cpu time spent up to now is 96.3 secs
Computing kpt #: 181
total cpu time spent up to now is 96.8 secs
Computing kpt #: 182
total cpu time spent up to now is 97.3 secs
Computing kpt #: 183
total cpu time spent up to now is 97.8 secs
Computing kpt #: 184
total cpu time spent up to now is 98.3 secs
Computing kpt #: 185
total cpu time spent up to now is 98.8 secs
Computing kpt #: 186
total cpu time spent up to now is 99.4 secs
Computing kpt #: 187
total cpu time spent up to now is 100.0 secs
Computing kpt #: 188
total cpu time spent up to now is 100.5 secs
Computing kpt #: 189
total cpu time spent up to now is 101.1 secs
Computing kpt #: 190
total cpu time spent up to now is 101.6 secs
Computing kpt #: 191
total cpu time spent up to now is 102.1 secs
Computing kpt #: 192
total cpu time spent up to now is 102.6 secs
Computing kpt #: 193
total cpu time spent up to now is 103.1 secs
Computing kpt #: 194
total cpu time spent up to now is 103.6 secs
Computing kpt #: 195
total cpu time spent up to now is 104.1 secs
Computing kpt #: 196
total cpu time spent up to now is 104.6 secs
Computing kpt #: 197
total cpu time spent up to now is 105.0 secs
Computing kpt #: 198
total cpu time spent up to now is 105.5 secs
Computing kpt #: 199
total cpu time spent up to now is 106.0 secs
Computing kpt #: 200
total cpu time spent up to now is 106.4 secs
Computing kpt #: 201
total cpu time spent up to now is 106.9 secs
Computing kpt #: 202
total cpu time spent up to now is 107.4 secs
Computing kpt #: 203
total cpu time spent up to now is 107.8 secs
Computing kpt #: 204
total cpu time spent up to now is 108.3 secs
Computing kpt #: 205
total cpu time spent up to now is 108.8 secs
Computing kpt #: 206
total cpu time spent up to now is 109.2 secs
Computing kpt #: 207
total cpu time spent up to now is 109.7 secs
Computing kpt #: 208
total cpu time spent up to now is 110.2 secs
Computing kpt #: 209
total cpu time spent up to now is 110.6 secs
Computing kpt #: 210
total cpu time spent up to now is 111.1 secs
Computing kpt #: 211
total cpu time spent up to now is 111.5 secs
Computing kpt #: 212
total cpu time spent up to now is 112.0 secs
Computing kpt #: 213
total cpu time spent up to now is 112.4 secs
Computing kpt #: 214
total cpu time spent up to now is 112.9 secs
Computing kpt #: 215
total cpu time spent up to now is 113.3 secs
Computing kpt #: 216
total cpu time spent up to now is 113.8 secs
Computing kpt #: 217
total cpu time spent up to now is 114.2 secs
Computing kpt #: 218
total cpu time spent up to now is 114.7 secs
Computing kpt #: 219
total cpu time spent up to now is 115.1 secs
Computing kpt #: 220
total cpu time spent up to now is 115.6 secs
Computing kpt #: 221
total cpu time spent up to now is 116.0 secs
Computing kpt #: 222
total cpu time spent up to now is 116.5 secs
Computing kpt #: 223
total cpu time spent up to now is 116.9 secs
Computing kpt #: 224
total cpu time spent up to now is 117.4 secs
Computing kpt #: 225
total cpu time spent up to now is 117.8 secs
Computing kpt #: 226
total cpu time spent up to now is 118.3 secs
Computing kpt #: 227
total cpu time spent up to now is 118.7 secs
Computing kpt #: 228
total cpu time spent up to now is 119.2 secs
Computing kpt #: 229
total cpu time spent up to now is 119.7 secs
Computing kpt #: 230
total cpu time spent up to now is 120.1 secs
Computing kpt #: 231
total cpu time spent up to now is 120.6 secs
Computing kpt #: 232
total cpu time spent up to now is 121.1 secs
Computing kpt #: 233
total cpu time spent up to now is 121.6 secs
Computing kpt #: 234
total cpu time spent up to now is 122.1 secs
Computing kpt #: 235
total cpu time spent up to now is 122.5 secs
Computing kpt #: 236
total cpu time spent up to now is 123.1 secs
Computing kpt #: 237
total cpu time spent up to now is 123.6 secs
Computing kpt #: 238
total cpu time spent up to now is 124.1 secs
Computing kpt #: 239
total cpu time spent up to now is 124.6 secs
Computing kpt #: 240
total cpu time spent up to now is 125.1 secs
Computing kpt #: 241
total cpu time spent up to now is 125.6 secs
Computing kpt #: 242
total cpu time spent up to now is 126.1 secs
Computing kpt #: 243
total cpu time spent up to now is 126.5 secs
Computing kpt #: 244
total cpu time spent up to now is 127.0 secs
Computing kpt #: 245
total cpu time spent up to now is 127.5 secs
Computing kpt #: 246
total cpu time spent up to now is 128.0 secs
Computing kpt #: 247
total cpu time spent up to now is 128.5 secs
Computing kpt #: 248
total cpu time spent up to now is 128.9 secs
Computing kpt #: 249
total cpu time spent up to now is 129.4 secs
Computing kpt #: 250
total cpu time spent up to now is 129.9 secs
Computing kpt #: 251
total cpu time spent up to now is 130.3 secs
Computing kpt #: 252
total cpu time spent up to now is 130.8 secs
Computing kpt #: 253
total cpu time spent up to now is 131.3 secs
Computing kpt #: 254
total cpu time spent up to now is 131.8 secs
Computing kpt #: 255
total cpu time spent up to now is 132.3 secs
Computing kpt #: 256
total cpu time spent up to now is 132.7 secs
Computing kpt #: 257
total cpu time spent up to now is 133.2 secs
Computing kpt #: 258
total cpu time spent up to now is 133.7 secs
Computing kpt #: 259
total cpu time spent up to now is 134.2 secs
Computing kpt #: 260
total cpu time spent up to now is 134.7 secs
Computing kpt #: 261
total cpu time spent up to now is 135.2 secs
Computing kpt #: 262
total cpu time spent up to now is 135.7 secs
Computing kpt #: 263
total cpu time spent up to now is 136.2 secs
Computing kpt #: 264
total cpu time spent up to now is 136.6 secs
Computing kpt #: 265
total cpu time spent up to now is 137.1 secs
Computing kpt #: 266
total cpu time spent up to now is 137.6 secs
Computing kpt #: 267
total cpu time spent up to now is 138.1 secs
Computing kpt #: 268
total cpu time spent up to now is 138.6 secs
Computing kpt #: 269
total cpu time spent up to now is 139.1 secs
Computing kpt #: 270
total cpu time spent up to now is 139.6 secs
Computing kpt #: 271
total cpu time spent up to now is 140.2 secs
Computing kpt #: 272
total cpu time spent up to now is 140.7 secs
Computing kpt #: 273
total cpu time spent up to now is 141.2 secs
Computing kpt #: 274
total cpu time spent up to now is 141.7 secs
Computing kpt #: 275
total cpu time spent up to now is 142.2 secs
Computing kpt #: 276
total cpu time spent up to now is 142.7 secs
Computing kpt #: 277
total cpu time spent up to now is 143.2 secs
Computing kpt #: 278
total cpu time spent up to now is 143.7 secs
Computing kpt #: 279
total cpu time spent up to now is 144.2 secs
Computing kpt #: 280
total cpu time spent up to now is 144.7 secs
Computing kpt #: 281
total cpu time spent up to now is 145.2 secs
Computing kpt #: 282
total cpu time spent up to now is 145.7 secs
Computing kpt #: 283
total cpu time spent up to now is 146.2 secs
Computing kpt #: 284
total cpu time spent up to now is 146.7 secs
Computing kpt #: 285
total cpu time spent up to now is 147.2 secs
Computing kpt #: 286
total cpu time spent up to now is 147.6 secs
Computing kpt #: 287
total cpu time spent up to now is 148.1 secs
Computing kpt #: 288
total cpu time spent up to now is 148.6 secs
Computing kpt #: 289
total cpu time spent up to now is 149.1 secs
Computing kpt #: 290
total cpu time spent up to now is 149.6 secs
Computing kpt #: 291
total cpu time spent up to now is 150.0 secs
Computing kpt #: 292
total cpu time spent up to now is 150.5 secs
Computing kpt #: 293
total cpu time spent up to now is 151.0 secs
Computing kpt #: 294
total cpu time spent up to now is 151.5 secs
Computing kpt #: 295
total cpu time spent up to now is 152.0 secs
Computing kpt #: 296
total cpu time spent up to now is 152.4 secs
Computing kpt #: 297
total cpu time spent up to now is 152.9 secs
Computing kpt #: 298
total cpu time spent up to now is 153.4 secs
Computing kpt #: 299
total cpu time spent up to now is 153.9 secs
Computing kpt #: 300
total cpu time spent up to now is 154.3 secs
Computing kpt #: 301
total cpu time spent up to now is 154.8 secs
Computing kpt #: 302
total cpu time spent up to now is 155.3 secs
Computing kpt #: 303
total cpu time spent up to now is 155.8 secs
Computing kpt #: 304
total cpu time spent up to now is 156.3 secs
Computing kpt #: 305
total cpu time spent up to now is 156.7 secs
Computing kpt #: 306
total cpu time spent up to now is 157.2 secs
Computing kpt #: 307
total cpu time spent up to now is 157.7 secs
Computing kpt #: 308
total cpu time spent up to now is 158.2 secs
Computing kpt #: 309
total cpu time spent up to now is 158.6 secs
Computing kpt #: 310
total cpu time spent up to now is 159.1 secs
Computing kpt #: 311
total cpu time spent up to now is 159.6 secs
Computing kpt #: 312
total cpu time spent up to now is 160.1 secs
Computing kpt #: 313
total cpu time spent up to now is 160.5 secs
Computing kpt #: 314
total cpu time spent up to now is 161.0 secs
Computing kpt #: 315
total cpu time spent up to now is 161.5 secs
Computing kpt #: 316
total cpu time spent up to now is 162.0 secs
Computing kpt #: 317
total cpu time spent up to now is 162.4 secs
Computing kpt #: 318
total cpu time spent up to now is 162.9 secs
Computing kpt #: 319
total cpu time spent up to now is 163.4 secs
Computing kpt #: 320
total cpu time spent up to now is 164.4 secs
Computing kpt #: 321
total cpu time spent up to now is 164.8 secs
Computing kpt #: 322
total cpu time spent up to now is 165.3 secs
Computing kpt #: 323
total cpu time spent up to now is 165.7 secs
Computing kpt #: 324
total cpu time spent up to now is 166.2 secs
Computing kpt #: 325
total cpu time spent up to now is 166.6 secs
Computing kpt #: 326
total cpu time spent up to now is 167.1 secs
Computing kpt #: 327
total cpu time spent up to now is 167.6 secs
Computing kpt #: 328
total cpu time spent up to now is 168.1 secs
Computing kpt #: 329
total cpu time spent up to now is 168.5 secs
Computing kpt #: 330
total cpu time spent up to now is 169.0 secs
Computing kpt #: 331
total cpu time spent up to now is 169.5 secs
Computing kpt #: 332
total cpu time spent up to now is 169.9 secs
Computing kpt #: 333
total cpu time spent up to now is 170.4 secs
Computing kpt #: 334
total cpu time spent up to now is 170.9 secs
Computing kpt #: 335
total cpu time spent up to now is 171.3 secs
Computing kpt #: 336
total cpu time spent up to now is 171.9 secs
Computing kpt #: 337
total cpu time spent up to now is 172.3 secs
Computing kpt #: 338
total cpu time spent up to now is 172.8 secs
Computing kpt #: 339
total cpu time spent up to now is 173.3 secs
Computing kpt #: 340
total cpu time spent up to now is 173.8 secs
Computing kpt #: 341
total cpu time spent up to now is 174.2 secs
Computing kpt #: 342
total cpu time spent up to now is 174.7 secs
Computing kpt #: 343
total cpu time spent up to now is 175.2 secs
Computing kpt #: 344
total cpu time spent up to now is 175.7 secs
Computing kpt #: 345
total cpu time spent up to now is 176.2 secs
Computing kpt #: 346
total cpu time spent up to now is 176.7 secs
Computing kpt #: 347
total cpu time spent up to now is 177.2 secs
Computing kpt #: 348
total cpu time spent up to now is 177.7 secs
Computing kpt #: 349
total cpu time spent up to now is 178.2 secs
Computing kpt #: 350
total cpu time spent up to now is 178.7 secs
Computing kpt #: 351
total cpu time spent up to now is 179.2 secs
Computing kpt #: 352
total cpu time spent up to now is 179.7 secs
Computing kpt #: 353
total cpu time spent up to now is 180.1 secs
Computing kpt #: 354
total cpu time spent up to now is 180.6 secs
Computing kpt #: 355
total cpu time spent up to now is 181.1 secs
Computing kpt #: 356
total cpu time spent up to now is 181.6 secs
Computing kpt #: 357
total cpu time spent up to now is 182.1 secs
Computing kpt #: 358
total cpu time spent up to now is 182.6 secs
Computing kpt #: 359
total cpu time spent up to now is 183.1 secs
Computing kpt #: 360
total cpu time spent up to now is 183.6 secs
Computing kpt #: 361
total cpu time spent up to now is 184.1 secs
Computing kpt #: 362
total cpu time spent up to now is 184.6 secs
Computing kpt #: 363
total cpu time spent up to now is 185.1 secs
Computing kpt #: 364
total cpu time spent up to now is 185.6 secs
Computing kpt #: 365
total cpu time spent up to now is 186.1 secs
Computing kpt #: 366
total cpu time spent up to now is 186.6 secs
Computing kpt #: 367
total cpu time spent up to now is 187.1 secs
Computing kpt #: 368
total cpu time spent up to now is 187.6 secs
Computing kpt #: 369
total cpu time spent up to now is 188.1 secs
Computing kpt #: 370
total cpu time spent up to now is 188.7 secs
ethr = 2.50E-08, avg # of iterations = 19.3
total cpu time spent up to now is 188.7 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 3723 PWs) bands (ev):
-14.7900 -14.7900 -14.3507 -14.3507 -10.6097 -10.6097 -10.4635 -10.4635
-4.5738 -4.5738 -3.8889 -3.8889 -2.4579 -2.4579 -1.4636 -1.4636
-0.9883 -0.9883 -0.9316 -0.9316 -0.0317 -0.0317 -0.0135 -0.0135
1.2159 1.2159 1.3489 1.3489 2.1794 2.1794 2.2576 2.2576
2.7320 2.7320 2.8245 2.8245 2.9510 2.9510 4.5195 4.5195
4.6097 4.6097 7.2714 7.2714 7.6694 7.6694 8.4309 8.4309
k = 0.0156 0.0054-0.0050 ( 3720 PWs) bands (ev):
-14.7898 -14.7898 -14.3507 -14.3507 -10.6101 -10.6101 -10.4638 -10.4638
-4.5718 -4.5718 -3.8878 -3.8878 -2.4575 -2.4575 -1.4645 -1.4645
-0.9907 -0.9907 -0.9317 -0.9317 -0.0325 -0.0325 -0.0134 -0.0134
1.2146 1.2146 1.3504 1.3504 2.1780 2.1780 2.2545 2.2545
2.7351 2.7351 2.8266 2.8266 2.9522 2.9522 4.5192 4.5192
4.6087 4.6087 7.2727 7.2727 7.6696 7.6696 8.4341 8.4341
k = 0.0312 0.0108-0.0100 ( 3722 PWs) bands (ev):
-14.7894 -14.7894 -14.3507 -14.3507 -10.6114 -10.6114 -10.4647 -10.4647
-4.5660 -4.5660 -3.8844 -3.8844 -2.4565 -2.4565 -1.4672 -1.4672
-0.9978 -0.9978 -0.9322 -0.9322 -0.0350 -0.0350 -0.0132 -0.0132
1.2109 1.2109 1.3545 1.3545 2.1738 2.1738 2.2458 2.2458
2.7441 2.7441 2.8328 2.8328 2.9558 2.9558 4.5182 4.5182
4.6056 4.6056 7.2766 7.2766 7.6702 7.6702 8.4439 8.4439
k = 0.0469 0.0162-0.0151 ( 3716 PWs) bands (ev):
-14.7886 -14.7886 -14.3507 -14.3507 -10.6136 -10.6136 -10.4663 -10.4663
-4.5563 -4.5563 -3.8789 -3.8789 -2.4549 -2.4549 -1.4717 -1.4717
-1.0095 -1.0095 -0.9329 -0.9329 -0.0395 -0.0395 -0.0127 -0.0127
1.2044 1.2044 1.3613 1.3613 2.1668 2.1668 2.2329 2.2329
2.7573 2.7573 2.8430 2.8430 2.9620 2.9620 4.5165 4.5165
4.6006 4.6006 7.2831 7.2831 7.6715 7.6715 8.4599 8.4599
k = 0.0625 0.0216-0.0201 ( 3721 PWs) bands (ev):
-14.7876 -14.7876 -14.3507 -14.3507 -10.6166 -10.6166 -10.4683 -10.4683
-4.5428 -4.5428 -3.8711 -3.8711 -2.4526 -2.4526 -1.4780 -1.4780
-1.0259 -1.0259 -0.9340 -0.9340 -0.0458 -0.0458 -0.0117 -0.0117
1.1953 1.1953 1.3706 1.3706 2.1573 2.1573 2.2180 2.2180
2.7725 2.7725 2.8567 2.8567 2.9712 2.9712 4.5143 4.5143
4.5935 4.5935 7.2923 7.2923 7.6737 7.6737 8.4820 8.4820
k = 0.0781 0.0271-0.0251 ( 3721 PWs) bands (ev):
-14.7863 -14.7863 -14.3507 -14.3507 -10.6205 -10.6205 -10.4710 -10.4710
-4.5255 -4.5255 -3.8612 -3.8612 -2.4498 -2.4498 -1.4860 -1.4860
-1.0467 -1.0467 -0.9353 -0.9353 -0.0539 -0.0539 -0.0104 -0.0104
1.1832 1.1832 1.3821 1.3821 2.1453 2.1453 2.2032 2.2032
2.7879 2.7879 2.8739 2.8739 2.9834 2.9834 4.5115 4.5115
4.5847 4.5847 7.3041 7.3041 7.6772 7.6772 8.5097 8.5097
k = 0.0938 0.0325-0.0301 ( 3721 PWs) bands (ev):
-14.7848 -14.7848 -14.3507 -14.3507 -10.6251 -10.6251 -10.4741 -10.4741
-4.5045 -4.5045 -3.8492 -3.8492 -2.4465 -2.4465 -1.4956 -1.4956
-1.0718 -1.0718 -0.9369 -0.9369 -0.0636 -0.0636 -0.0089 -0.0089
1.1680 1.1680 1.3953 1.3953 2.1315 2.1315 2.1901 2.1901
2.8016 2.8016 2.8941 2.8941 2.9986 2.9986 4.5083 4.5083
4.5742 4.5742 7.3186 7.3186 7.6825 7.6825 8.5426 8.5426
k = 0.1094 0.0379-0.0351 ( 3722 PWs) bands (ev):
-14.7830 -14.7830 -14.3507 -14.3507 -10.6306 -10.6306 -10.4776 -10.4776
-4.4799 -4.4799 -3.8351 -3.8351 -2.4428 -2.4428 -1.5067 -1.5067
-1.1008 -1.1008 -0.9387 -0.9387 -0.0747 -0.0747 -0.0072 -0.0072
1.1497 1.1497 1.4100 1.4100 2.1170 2.1170 2.1795 2.1795
2.8128 2.8128 2.9169 2.9169 3.0163 3.0163 4.5047 4.5047
4.5622 4.5622 7.3360 7.3360 7.6898 7.6898 8.5805 8.5805
k = 0.1250 0.0433-0.0402 ( 3724 PWs) bands (ev):
-14.7809 -14.7809 -14.3507 -14.3507 -10.6367 -10.6367 -10.4816 -10.4816
-4.4517 -4.4517 -3.8191 -3.8191 -2.4389 -2.4389 -1.5193 -1.5193
-1.1335 -1.1335 -0.9408 -0.9408 -0.0870 -0.0870 -0.0056 -0.0056
1.1280 1.1280 1.4256 1.4256 2.1032 2.1032 2.1717 2.1717
2.8213 2.8213 2.9414 2.9414 3.0362 3.0362 4.5008 4.5008
4.5490 4.5490 7.3561 7.3561 7.6995 7.6995 8.6227 8.6227
k = 0.1406 0.0487-0.0452 ( 3726 PWs) bands (ev):
-14.7787 -14.7787 -14.3506 -14.3506 -10.6436 -10.6436 -10.4859 -10.4859
-4.4201 -4.4201 -3.8011 -3.8011 -2.4349 -2.4349 -1.5333 -1.5333
-1.1696 -1.1696 -0.9430 -0.9430 -0.1001 -0.1001 -0.0041 -0.0041
1.1031 1.1031 1.4416 1.4416 2.0913 2.0913 2.1668 2.1668
2.8276 2.8276 2.9665 2.9665 3.0573 3.0573 4.4967 4.4967
4.5348 4.5348 7.3791 7.3791 7.7121 7.7121 8.6689 8.6689
k = 0.1562 0.0541-0.0502 ( 3727 PWs) bands (ev):
-14.7762 -14.7762 -14.3507 -14.3507 -10.6511 -10.6511 -10.4904 -10.4904
-4.3853 -4.3853 -3.7812 -3.7812 -2.4308 -2.4308 -1.5489 -1.5489
-1.2085 -1.2085 -0.9455 -0.9455 -0.1141 -0.1141 -0.0029 -0.0029
1.0750 1.0750 1.4576 1.4576 2.0824 2.0824 2.1649 2.1649
2.8321 2.8321 2.9911 2.9911 3.0791 3.0791 4.4921 4.4921
4.5202 4.5202 7.4050 7.4050 7.7275 7.7275 8.7187 8.7187
k = 0.1719 0.0595-0.0552 ( 3731 PWs) bands (ev):
-14.7736 -14.7736 -14.3507 -14.3507 -10.6591 -10.6591 -10.4952 -10.4952
-4.3472 -4.3472 -3.7596 -3.7596 -2.4269 -2.4269 -1.5661 -1.5661
-1.2497 -1.2497 -0.9481 -0.9481 -0.1286 -0.1286 -0.0020 -0.0020
1.0440 1.0440 1.4731 1.4731 2.0769 2.0769 2.1662 2.1662
2.8351 2.8351 3.0143 3.0143 3.1011 3.1011 4.4859 4.4859
4.5068 4.5068 7.4336 7.4336 7.7462 7.7462 8.7716 8.7716
k = 0.1875 0.0649-0.0602 ( 3733 PWs) bands (ev):
-14.7708 -14.7708 -14.3507 -14.3507 -10.6676 -10.6676 -10.5001 -10.5001
-4.3061 -4.3061 -3.7364 -3.7364 -2.4234 -2.4234 -1.5852 -1.5852
-1.2925 -1.2925 -0.9509 -0.9509 -0.1434 -0.1434 -0.0017 -0.0017
1.0104 1.0104 1.4876 1.4876 2.0753 2.0753 2.1712 2.1712
2.8370 2.8370 3.0352 3.0352 3.1229 3.1229 4.4756 4.4756
4.4978 4.4978 7.4650 7.4650 7.7680 7.7680 8.8271 8.8271
k = 0.2031 0.0703-0.0653 ( 3738 PWs) bands (ev):
-14.7678 -14.7678 -14.3507 -14.3507 -10.6766 -10.6766 -10.5051 -10.5051
-4.2622 -4.2622 -3.7116 -3.7116 -2.4204 -2.4204 -1.6067 -1.6067
-1.3358 -1.3358 -0.9537 -0.9537 -0.1585 -0.1585 -0.0019 -0.0019
0.9746 0.9746 1.5006 1.5006 2.0776 2.0776 2.1799 2.1799
2.8380 2.8380 3.0529 3.0529 3.1442 3.1442 4.4609 4.4609
4.4937 4.4937 7.4991 7.4991 7.7931 7.7931 8.8847 8.8847
k = 0.2188 0.0758-0.0703 ( 3732 PWs) bands (ev):
-14.7648 -14.7648 -14.3507 -14.3507 -10.6858 -10.6858 -10.5102 -10.5102
-4.2155 -4.2155 -3.6853 -3.6853 -2.4182 -2.4182 -1.6313 -1.6313
-1.3784 -1.3784 -0.9567 -0.9567 -0.1735 -0.1735 -0.0028 -0.0028
0.9371 0.9371 1.5119 1.5119 2.0838 2.0838 2.1926 2.1926
2.8383 2.8383 3.0670 3.0670 3.1647 3.1647 4.4445 4.4445
4.4925 4.4925 7.5355 7.5355 7.8215 7.8215 8.9381 8.9381
k = 0.2344 0.0812-0.0753 ( 3733 PWs) bands (ev):
-14.7617 -14.7617 -14.3508 -14.3508 -10.6953 -10.6953 -10.5153 -10.5153
-4.1664 -4.1664 -3.6578 -3.6578 -2.4169 -2.4169 -1.6604 -1.6604
-1.4187 -1.4187 -0.9597 -0.9597 -0.1885 -0.1885 -0.0043 -0.0043
0.8982 0.8982 1.5214 1.5214 2.0937 2.0937 2.2091 2.2091
2.8379 2.8379 3.0771 3.0771 3.1838 3.1838 4.4276 4.4276
4.4932 4.4932 7.5742 7.5742 7.8532 7.8532 8.9127 8.9127
k = 0.2500 0.0866-0.0803 ( 3731 PWs) bands (ev):
-14.7585 -14.7585 -14.3508 -14.3508 -10.7049 -10.7049 -10.5204 -10.5204
-4.1150 -4.1150 -3.6291 -3.6291 -2.4167 -2.4167 -1.6948 -1.6948
-1.4550 -1.4550 -0.9627 -0.9627 -0.2031 -0.2031 -0.0065 -0.0065
0.8586 0.8586 1.5290 1.5290 2.1072 2.1072 2.2295 2.2295
2.8370 2.8370 3.0832 3.0832 3.2009 3.2009 4.4108 4.4108
4.4960 4.4960 7.6148 7.6148 7.8879 7.8879 8.8748 8.8748
k = 0.2656 0.0920-0.0854 ( 3729 PWs) bands (ev):
-14.7553 -14.7553 -14.3509 -14.3509 -10.7145 -10.7145 -10.5253 -10.5253
-4.0614 -4.0614 -3.5994 -3.5994 -2.4179 -2.4179 -1.7355 -1.7355
-1.4860 -1.4860 -0.9658 -0.9658 -0.2174 -0.2174 -0.0094 -0.0094
0.8187 0.8187 1.5347 1.5347 2.1239 2.1239 2.2535 2.2535
2.8354 2.8354 3.0853 3.0853 3.2155 3.2155 4.3944 4.3944
4.5006 4.5006 7.6569 7.6569 7.9257 7.9257 8.8215 8.8215
k = 0.2812 0.0974-0.0904 ( 3730 PWs) bands (ev):
-14.7521 -14.7521 -14.3510 -14.3510 -10.7241 -10.7241 -10.5302 -10.5302
-4.0061 -4.0061 -3.5688 -3.5688 -2.4206 -2.4206 -1.7824 -1.7824
-1.5114 -1.5114 -0.9688 -0.9688 -0.2312 -0.2312 -0.0130 -0.0130
0.7789 0.7789 1.5387 1.5387 2.1437 2.1437 2.2808 2.2808
2.8333 2.8333 3.0837 3.0837 3.2271 3.2271 4.3787 4.3787
4.5073 4.5073 7.6999 7.6999 7.9663 7.9663 8.7559 8.7559
k = 0.2969 0.1028-0.0954 ( 3727 PWs) bands (ev):
-14.7490 -14.7490 -14.3511 -14.3511 -10.7335 -10.7335 -10.5349 -10.5349
-3.9492 -3.9492 -3.5376 -3.5376 -2.4249 -2.4249 -1.8347 -1.8347
-1.5315 -1.5315 -0.9717 -0.9717 -0.2444 -0.2444 -0.0171 -0.0171
0.7398 0.7398 1.5413 1.5413 2.1663 2.1663 2.3109 2.3109
2.8305 2.8305 3.0786 3.0786 3.2353 3.2353 4.3639 4.3639
4.5159 4.5159 7.7435 7.7435 8.0097 8.0097 8.6858 8.6858
k = 0.3125 0.1082-0.1004 ( 3729 PWs) bands (ev):
-14.7459 -14.7459 -14.3512 -14.3512 -10.7427 -10.7427 -10.5393 -10.5393
-3.8912 -3.8912 -3.5059 -3.5059 -2.4309 -2.4309 -1.8912 -1.8912
-1.5470 -1.5470 -0.9745 -0.9745 -0.2570 -0.2570 -0.0217 -0.0217
0.7018 0.7018 1.5425 1.5425 2.1914 2.1914 2.3434 2.3434
2.8268 2.8268 3.0705 3.0705 3.2399 3.2399 4.3500 4.3500
4.5265 4.5265 7.7870 7.7870 8.0555 8.0555 8.6154 8.6154
k = 0.3281 0.1136-0.1054 ( 3735 PWs) bands (ev):
-14.7430 -14.7430 -14.3513 -14.3513 -10.7515 -10.7515 -10.5436 -10.5436
-3.8323 -3.8323 -3.4738 -3.4738 -2.4386 -2.4386 -1.9508 -1.9508
-1.5587 -1.5587 -0.9772 -0.9772 -0.2688 -0.2688 -0.0268 -0.0268
0.6652 0.6652 1.5427 1.5427 2.2188 2.2188 2.3778 2.3778
2.8221 2.8221 3.0598 3.0598 3.2407 3.2407 4.3371 4.3371
4.5387 4.5387 7.8299 7.8299 8.1033 8.1033 8.5466 8.5466
k = 0.3438 0.1190-0.1105 ( 3735 PWs) bands (ev):
-14.7402 -14.7402 -14.3514 -14.3514 -10.7598 -10.7598 -10.5476 -10.5476
-3.7732 -3.7732 -3.4416 -3.4416 -2.4480 -2.4480 -2.0121 -2.0121
-1.5673 -1.5673 -0.9798 -0.9798 -0.2798 -0.2798 -0.0321 -0.0321
0.6305 0.6305 1.5422 1.5422 2.2481 2.2481 2.4135 2.4135
2.8161 2.8161 3.0470 3.0470 3.2378 3.2378 4.3255 4.3255
4.5523 4.5523 7.8715 7.8715 8.1528 8.1528 8.4806 8.4806
k = 0.3594 0.1245-0.1155 ( 3732 PWs) bands (ev):
-14.7375 -14.7375 -14.3516 -14.3516 -10.7677 -10.7677 -10.5513 -10.5513
-3.7144 -3.7144 -3.4093 -3.4093 -2.4591 -2.4591 -2.0741 -2.0741
-1.5736 -1.5736 -0.9822 -0.9822 -0.2899 -0.2899 -0.0375 -0.0375
0.5980 0.5980 1.5412 1.5412 2.2792 2.2792 2.4499 2.4499
2.8085 2.8085 3.0329 3.0329 3.2314 3.2314 4.3149 4.3149
4.5670 4.5670 7.9114 7.9114 8.2032 8.2032 8.4184 8.4184
k = 0.3750 0.1299-0.1205 ( 3729 PWs) bands (ev):
-14.7351 -14.7351 -14.3517 -14.3517 -10.7749 -10.7749 -10.5547 -10.5547
-3.6567 -3.6567 -3.3771 -3.3771 -2.4719 -2.4719 -2.1357 -2.1357
-1.5778 -1.5778 -0.9845 -0.9845 -0.2990 -0.2990 -0.0430 -0.0430
0.5679 0.5679 1.5398 1.5398 2.3117 2.3117 2.4864 2.4864
2.7988 2.7988 3.0183 3.0183 3.2218 3.2218 4.3056 4.3056
4.5822 4.5822 7.9491 7.9491 8.2534 8.2534 8.3610 8.3610
k = 0.3906 0.1353-0.1255 ( 3736 PWs) bands (ev):
-14.7328 -14.7328 -14.3518 -14.3518 -10.7814 -10.7814 -10.5578 -10.5578
-3.6011 -3.6011 -3.3450 -3.3450 -2.4863 -2.4863 -2.1956 -2.1956
-1.5805 -1.5805 -0.9865 -0.9865 -0.3072 -0.3072 -0.0483 -0.0483
0.5407 0.5407 1.5383 1.5383 2.3454 2.3454 2.5223 2.5223
2.7866 2.7866 3.0040 3.0040 3.2095 3.2095 4.2974 4.2974
4.5973 4.5973 7.9839 7.9839 8.2957 8.2957 8.3156 8.3156
k = 0.4062 0.1407-0.1305 ( 3738 PWs) bands (ev):
-14.7308 -14.7308 -14.3519 -14.3519 -10.7872 -10.7872 -10.5604 -10.5604
-3.5490 -3.5490 -3.3132 -3.3132 -2.5024 -2.5024 -2.2522 -2.2522
-1.5820 -1.5820 -0.9883 -0.9883 -0.3144 -0.3144 -0.0532 -0.0532
0.5166 0.5166 1.5366 1.5366 2.3800 2.3800 2.5569 2.5569
2.7714 2.7714 2.9909 2.9909 3.1952 3.1952 4.2904 4.2904
4.6120 4.6120 8.0154 8.0154 8.2589 8.2589 8.3528 8.3528
k = 0.4219 0.1461-0.1356 ( 3741 PWs) bands (ev):
-14.7291 -14.7291 -14.3520 -14.3520 -10.7923 -10.7923 -10.5628 -10.5628
-3.5018 -3.5018 -3.2816 -3.2816 -2.5204 -2.5204 -2.3037 -2.3037
-1.5826 -1.5826 -0.9898 -0.9898 -0.3205 -0.3205 -0.0577 -0.0577
0.4958 0.4958 1.5351 1.5351 2.4151 2.4151 2.5892 2.5892
2.7532 2.7532 2.9796 2.9796 3.1795 3.1795 4.2845 4.2845
4.6255 4.6255 8.0433 8.0433 8.2184 8.2184 8.3965 8.3965
k = 0.4375 0.1515-0.1406 ( 3742 PWs) bands (ev):
-14.7277 -14.7277 -14.3521 -14.3521 -10.7964 -10.7964 -10.5647 -10.5647
-3.4612 -3.4612 -3.2508 -3.2508 -2.5402 -2.5402 -2.3478 -2.3478
-1.5828 -1.5828 -0.9911 -0.9911 -0.3256 -0.3256 -0.0616 -0.0616
0.4785 0.4785 1.5338 1.5338 2.4503 2.4503 2.6181 2.6181
2.7320 2.7320 2.9707 2.9707 3.1636 3.1636 4.2798 4.2798
4.6374 4.6374 8.0669 8.0669 8.1842 8.1842 8.4353 8.4353
k = 0.4531 0.1569-0.1456 ( 3742 PWs) bands (ev):
-14.7265 -14.7265 -14.3522 -14.3522 -10.7997 -10.7997 -10.5662 -10.5662
-3.4286 -3.4286 -3.2220 -3.2220 -2.5611 -2.5611 -2.3825 -2.3825
-1.5826 -1.5826 -0.9921 -0.9921 -0.3295 -0.3295 -0.0648 -0.0648
0.4649 0.4649 1.5326 1.5326 2.4848 2.4848 2.6418 2.6418
2.7090 2.7090 2.9643 2.9643 3.1488 3.1488 4.2761 4.2761
4.6471 4.6471 8.0859 8.0859 8.1572 8.1572 8.4676 8.4676
k = 0.4688 0.1623-0.1506 ( 3743 PWs) bands (ev):
-14.7257 -14.7257 -14.3522 -14.3522 -10.8021 -10.8021 -10.5673 -10.5673
-3.4050 -3.4050 -3.1977 -3.1977 -2.5807 -2.5807 -2.4067 -2.4067
-1.5823 -1.5823 -0.9928 -0.9928 -0.3324 -0.3324 -0.0671 -0.0671
0.4550 0.4550 1.5318 1.5318 2.5174 2.5174 2.6564 2.6564
2.6881 2.6881 2.9602 2.9602 3.1364 3.1364 4.2735 4.2735
4.6544 4.6544 8.0998 8.0998 8.1375 8.1375 8.4918 8.4918
k = 0.4844 0.1677-0.1556 ( 3737 PWs) bands (ev):
-14.7252 -14.7252 -14.3523 -14.3523 -10.8035 -10.8035 -10.5679 -10.5679
-3.3908 -3.3908 -3.1810 -3.1810 -2.5951 -2.5951 -2.4208 -2.4208
-1.5820 -1.5820 -0.9932 -0.9932 -0.3340 -0.3340 -0.0686 -0.0686
0.4491 0.4491 1.5313 1.5313 2.5446 2.5446 2.6506 2.6506
2.6831 2.6831 2.9580 2.9580 3.1282 3.1282 4.2721 4.2721
4.6589 4.6589 8.1083 8.1083 8.1256 8.1256 8.5068 8.5068
k = 0.5000 0.1732-0.1607 ( 3738 PWs) bands (ev):
-14.7250 -14.7250 -14.3523 -14.3523 -10.8040 -10.8040 -10.5681 -10.5681
-3.3861 -3.3861 -3.1750 -3.1750 -2.6004 -2.6004 -2.4254 -2.4254
-1.5819 -1.5819 -0.9934 -0.9934 -0.3346 -0.3346 -0.0691 -0.0691
0.4471 0.4471 1.5311 1.5311 2.5570 2.5570 2.6419 2.6419
2.6849 2.6849 2.9573 2.9573 3.1253 3.1253 4.2715 4.2715
4.6604 4.6604 8.1112 8.1112 8.1216 8.1216 8.5119 8.5119
k = 0.5000 0.1732-0.1607 ( 3738 PWs) bands (ev):
-14.7250 -14.7250 -14.3523 -14.3523 -10.8040 -10.8040 -10.5681 -10.5681
-3.3861 -3.3861 -3.1750 -3.1750 -2.6004 -2.6004 -2.4254 -2.4254
-1.5819 -1.5819 -0.9934 -0.9934 -0.3346 -0.3346 -0.0691 -0.0691
0.4471 0.4471 1.5311 1.5311 2.5570 2.5570 2.6419 2.6419
2.6849 2.6849 2.9573 2.9573 3.1253 3.1253 4.2715 4.2715
4.6604 4.6604 8.1112 8.1112 8.1216 8.1216 8.5119 8.5119
k = 0.5047 0.1748-0.1444 ( 3745 PWs) bands (ev):
-14.7250 -14.7250 -14.3523 -14.3523 -10.8045 -10.8045 -10.5675 -10.5675
-3.3864 -3.3864 -3.1752 -3.1752 -2.6006 -2.6006 -2.4248 -2.4248
-1.5812 -1.5812 -0.9931 -0.9931 -0.3349 -0.3349 -0.0709 -0.0709
0.4479 0.4479 1.5311 1.5311 2.5510 2.5510 2.6472 2.6472
2.6850 2.6850 2.9581 2.9581 3.1258 3.1258 4.2714 4.2714
4.6602 4.6602 8.1096 8.1096 8.1221 8.1221 8.5138 8.5138
k = 0.5093 0.1764-0.1281 ( 3743 PWs) bands (ev):
-14.7249 -14.7249 -14.3525 -14.3525 -10.8061 -10.8061 -10.5658 -10.5658
-3.3872 -3.3872 -3.1756 -3.1756 -2.6012 -2.6012 -2.4232 -2.4232
-1.5791 -1.5791 -0.9924 -0.9924 -0.3356 -0.3356 -0.0765 -0.0765
0.4503 0.4503 1.5312 1.5312 2.5363 2.5363 2.6587 2.6587
2.6864 2.6864 2.9604 2.9604 3.1275 3.1275 4.2713 4.2713
4.6594 4.6594 8.1055 8.1055 8.1234 8.1234 8.5193 8.5193
k = 0.5140 0.1780-0.1118 ( 3749 PWs) bands (ev):
-14.7246 -14.7246 -14.3527 -14.3527 -10.8087 -10.8087 -10.5630 -10.5630
-3.3887 -3.3887 -3.1763 -3.1763 -2.6022 -2.6022 -2.4206 -2.4206
-1.5755 -1.5755 -0.9911 -0.9911 -0.3369 -0.3369 -0.0858 -0.0858
0.4544 0.4544 1.5312 1.5312 2.5180 2.5180 2.6666 2.6666
2.6935 2.6935 2.9643 2.9643 3.1301 3.1301 4.2711 4.2711
4.6582 4.6582 8.0991 8.0991 8.1255 8.1255 8.5280 8.5280
k = 0.5187 0.1796-0.0956 ( 3751 PWs) bands (ev):
-14.7243 -14.7243 -14.3531 -14.3531 -10.8122 -10.8122 -10.5591 -10.5591
-3.3909 -3.3909 -3.1772 -3.1772 -2.6036 -2.6036 -2.4169 -2.4169
-1.5704 -1.5704 -0.9892 -0.9892 -0.3387 -0.3387 -0.0988 -0.0988
0.4600 0.4600 1.5314 1.5314 2.4986 2.4986 2.6669 2.6669
2.7081 2.7081 2.9699 2.9699 3.1338 3.1338 4.2708 4.2708
4.6565 4.6565 8.0912 8.0912 8.1284 8.1284 8.5392 8.5392
k = 0.5233 0.1812-0.0793 ( 3750 PWs) bands (ev):
-14.7239 -14.7239 -14.3535 -14.3535 -10.8164 -10.8164 -10.5545 -10.5545
-3.3939 -3.3939 -3.1780 -3.1780 -2.6054 -2.6054 -2.4121 -2.4121
-1.5639 -1.5639 -0.9869 -0.9869 -0.3409 -0.3409 -0.1154 -0.1154
0.4674 0.4674 1.5316 1.5316 2.4794 2.4794 2.6636 2.6636
2.7248 2.7248 2.9772 2.9772 3.1383 3.1383 4.2704 4.2704
4.6543 4.6543 8.0825 8.0825 8.1320 8.1320 8.5522 8.5522
k = 0.5280 0.1829-0.0630 ( 3743 PWs) bands (ev):
-14.7234 -14.7234 -14.3541 -14.3541 -10.8213 -10.8213 -10.5490 -10.5490
-3.3978 -3.3978 -3.1788 -3.1788 -2.6076 -2.6076 -2.4063 -2.4063
-1.5557 -1.5557 -0.9841 -0.9841 -0.3436 -0.3436 -0.1356 -0.1356
0.4765 0.4765 1.5319 1.5319 2.4609 2.4609 2.6584 2.6584
2.7411 2.7411 2.9864 2.9864 3.1436 3.1436 4.2699 4.2699
4.6516 4.6516 8.0735 8.0735 8.1364 8.1364 8.5664 8.5664
k = 0.5327 0.1845-0.0468 ( 3739 PWs) bands (ev):
-14.7229 -14.7229 -14.3547 -14.3547 -10.8267 -10.8267 -10.5430 -10.5430
-3.4027 -3.4027 -3.1794 -3.1794 -2.6103 -2.6103 -2.3995 -2.3995
-1.5460 -1.5460 -0.9809 -0.9809 -0.3467 -0.3467 -0.1593 -0.1593
0.4872 0.4872 1.5322 1.5322 2.4435 2.4435 2.6522 2.6522
2.7559 2.7559 2.9971 2.9971 3.1495 3.1495 4.2692 4.2692
4.6485 4.6485 8.0648 8.0648 8.1415 8.1415 8.5809 8.5809
k = 0.5374 0.1861-0.0305 ( 3739 PWs) bands (ev):
-14.7223 -14.7223 -14.3554 -14.3554 -10.8324 -10.8324 -10.5365 -10.5365
-3.4088 -3.4088 -3.1798 -3.1798 -2.6133 -2.6133 -2.3918 -2.3918
-1.5347 -1.5347 -0.9772 -0.9772 -0.3502 -0.3502 -0.1862 -0.1862
0.4995 0.4995 1.5325 1.5325 2.4274 2.4274 2.6452 2.6452
2.7689 2.7689 3.0093 3.0093 3.1558 3.1558 4.2684 4.2684
4.6449 4.6449 8.0569 8.0569 8.1474 8.1474 8.5954 8.5954
k = 0.5420 0.1877-0.0142 ( 3733 PWs) bands (ev):
-14.7216 -14.7216 -14.3561 -14.3561 -10.8384 -10.8384 -10.5297 -10.5297
-3.4160 -3.4160 -3.1798 -3.1798 -2.6165 -2.6165 -2.3832 -2.3832
-1.5217 -1.5217 -0.9732 -0.9732 -0.3541 -0.3541 -0.2162 -0.2162
0.5133 0.5133 1.5329 1.5329 2.4128 2.4128 2.6376 2.6376
2.7802 2.7802 3.0226 3.0226 3.1626 3.1626 4.2674 4.2674
4.6408 4.6408 8.0501 8.0501 8.1541 8.1541 8.6094 8.6094
k = 0.5467 0.1893 0.0021 ( 3725 PWs) bands (ev):
-14.7209 -14.7209 -14.3569 -14.3569 -10.8445 -10.8445 -10.5226 -10.5226
-3.4244 -3.4244 -3.1797 -3.1797 -2.6199 -2.6199 -2.3737 -2.3737
-1.5070 -1.5070 -0.9688 -0.9688 -0.3584 -0.3584 -0.2491 -0.2491
0.5285 0.5285 1.5334 1.5334 2.3998 2.3998 2.6296 2.6296
2.7896 2.7896 3.0366 3.0366 3.1696 3.1696 4.2663 4.2663
4.6364 4.6364 8.0448 8.0448 8.1615 8.1615 8.6225 8.6225
k = 0.5514 0.1909 0.0183 ( 3737 PWs) bands (ev):
-14.7202 -14.7202 -14.3577 -14.3577 -10.8506 -10.8506 -10.5154 -10.5154
-3.4340 -3.4340 -3.1794 -3.1794 -2.6234 -2.6234 -2.3634 -2.3634
-1.4909 -1.4909 -0.9641 -0.9641 -0.3629 -0.3629 -0.2844 -0.2844
0.5449 0.5449 1.5338 1.5338 2.3884 2.3884 2.6211 2.6211
2.7975 2.7975 3.0507 3.0507 3.1768 3.1768 4.2649 4.2649
4.6315 4.6315 8.0410 8.0410 8.1696 8.1696 8.6345 8.6345
k = 0.5560 0.1926 0.0346 ( 3736 PWs) bands (ev):
-14.7195 -14.7195 -14.3586 -14.3586 -10.8567 -10.8567 -10.5081 -10.5081
-3.4447 -3.4447 -3.1791 -3.1791 -2.6266 -2.6266 -2.3523 -2.3523
-1.4731 -1.4731 -0.9591 -0.9591 -0.3680 -0.3680 -0.3218 -0.3218
0.5624 0.5624 1.5344 1.5344 2.3787 2.3787 2.6123 2.6123
2.8041 2.8041 3.0647 3.0647 3.1840 3.1840 4.2634 4.2634
4.6263 4.6263 8.0388 8.0388 8.1785 8.1785 8.6453 8.6453
k = 0.5607 0.1942 0.0509 ( 3738 PWs) bands (ev):
-14.7188 -14.7188 -14.3595 -14.3595 -10.8626 -10.8626 -10.5008 -10.5008
-3.4565 -3.4565 -3.1790 -3.1790 -2.6294 -2.6294 -2.3406 -2.3406
-1.4539 -1.4539 -0.9539 -0.9539 -0.3754 -0.3754 -0.3588 -0.3588
0.5809 0.5809 1.5350 1.5350 2.3706 2.3706 2.6034 2.6034
2.8095 2.8095 3.0782 3.0782 3.1912 3.1912 4.2616 4.2616
4.6207 4.6207 8.0381 8.0381 8.1881 8.1881 8.6547 8.6547
k = 0.5654 0.1958 0.0672 ( 3740 PWs) bands (ev):
-14.7181 -14.7181 -14.3604 -14.3604 -10.8683 -10.8683 -10.4936 -10.4936
-3.4692 -3.4692 -3.1794 -3.1794 -2.6315 -2.6315 -2.3282 -2.3282
-1.4333 -1.4333 -0.9485 -0.9485 -0.4054 -0.4054 -0.3749 -0.3749
0.6001 0.6001 1.5356 1.5356 2.3643 2.3643 2.5944 2.5944
2.8140 2.8140 3.0907 3.0907 3.1982 3.1982 4.2596 4.2596
4.6148 4.6148 8.0389 8.0389 8.1984 8.1984 8.6626 8.6626
k = 0.5700 0.1974 0.0834 ( 3747 PWs) bands (ev):
-14.7175 -14.7175 -14.3613 -14.3613 -10.8737 -10.8737 -10.4866 -10.4866
-3.4827 -3.4827 -3.1805 -3.1805 -2.6326 -2.6326 -2.3153 -2.3153
-1.4116 -1.4116 -0.9430 -0.9430 -0.4468 -0.4468 -0.3807 -0.3807
0.6199 0.6199 1.5363 1.5363 2.3595 2.3595 2.5854 2.5854
2.8177 2.8177 3.1021 3.1021 3.2050 3.2050 4.2574 4.2574
4.6086 4.6086 8.0409 8.0409 8.2093 8.2093 8.6690 8.6690
k = 0.5747 0.1990 0.0997 ( 3748 PWs) bands (ev):
-14.7169 -14.7169 -14.3622 -14.3622 -10.8787 -10.8787 -10.4797 -10.4797
-3.4969 -3.4969 -3.1826 -3.1826 -2.6326 -2.6326 -2.3019 -2.3019
-1.3891 -1.3891 -0.9376 -0.9376 -0.4894 -0.4894 -0.3857 -0.3857
0.6401 0.6401 1.5371 1.5371 2.3563 2.3563 2.5764 2.5764
2.8209 2.8209 3.1121 3.1121 3.2115 3.2115 4.2550 4.2550
4.6021 4.6021 8.0436 8.0436 8.2210 8.2210 8.6738 8.6738
k = 0.5794 0.2006 0.1160 ( 3748 PWs) bands (ev):
-14.7163 -14.7163 -14.3630 -14.3630 -10.8834 -10.8834 -10.4731 -10.4731
-3.5118 -3.5118 -3.1860 -3.1860 -2.6310 -2.6310 -2.2881 -2.2881
-1.3659 -1.3659 -0.9321 -0.9321 -0.5322 -0.5322 -0.3904 -0.3904
0.6604 0.6604 1.5379 1.5379 2.3547 2.3547 2.5675 2.5675
2.8236 2.8236 3.1207 3.1207 3.2175 3.2175 4.2524 4.2524
4.5954 4.5954 8.0468 8.0468 8.2333 8.2333 8.6768 8.6768
k = 0.5840 0.2023 0.1322 ( 3753 PWs) bands (ev):
-14.7159 -14.7159 -14.3638 -14.3638 -10.8876 -10.8876 -10.4668 -10.4668
-3.5272 -3.5272 -3.1909 -3.1909 -2.6277 -2.6277 -2.2739 -2.2739
-1.3426 -1.3426 -0.9268 -0.9268 -0.5746 -0.5746 -0.3948 -0.3948
0.6808 0.6808 1.5388 1.5388 2.3545 2.3545 2.5586 2.5586
2.8258 2.8258 3.1278 3.1278 3.2230 3.2230 4.2496 4.2496
4.5885 4.5885 8.0499 8.0499 8.2463 8.2463 8.6781 8.6781
k = 0.5887 0.2039 0.1485 ( 3753 PWs) bands (ev):
-14.7156 -14.7156 -14.3645 -14.3645 -10.8914 -10.8914 -10.4608 -10.4608
-3.5429 -3.5429 -3.1974 -3.1974 -2.6225 -2.6225 -2.2594 -2.2594
-1.3197 -1.3197 -0.9216 -0.9216 -0.6155 -0.6155 -0.3989 -0.3989
0.7010 0.7010 1.5397 1.5397 2.3556 2.3556 2.5499 2.5499
2.8278 2.8278 3.1334 3.1334 3.2281 3.2281 4.2467 4.2467
4.5814 4.5814 8.0524 8.0524 8.2598 8.2598 8.6775 8.6775
k = 0.5887 0.2039 0.1485 ( 3753 PWs) bands (ev):
-14.7156 -14.7156 -14.3645 -14.3645 -10.8914 -10.8914 -10.4608 -10.4608
-3.5429 -3.5429 -3.1974 -3.1974 -2.6225 -2.6225 -2.2594 -2.2594
-1.3197 -1.3197 -0.9216 -0.9216 -0.6155 -0.6155 -0.3989 -0.3989
0.7010 0.7010 1.5397 1.5397 2.3556 2.3556 2.5499 2.5499
2.8278 2.8278 3.1334 3.1334 3.2281 3.2281 4.2467 4.2467
4.5814 4.5814 8.0524 8.0524 8.2598 8.2598 8.6775 8.6775
k = 0.5806 0.2011 0.1631 ( 3754 PWs) bands (ev):
-14.7145 -14.7145 -14.3646 -14.3646 -10.8993 -10.8993 -10.4559 -10.4559
-3.5121 -3.5121 -3.1813 -3.1813 -2.6498 -2.6498 -2.2805 -2.2805
-1.3101 -1.3101 -0.9188 -0.9188 -0.6455 -0.6455 -0.4067 -0.4067
0.7117 0.7117 1.5392 1.5392 2.3908 2.3908 2.5690 2.5690
2.8259 2.8259 3.1283 3.1283 3.2223 3.2223 4.2267 4.2267
4.5778 4.5778 8.0755 8.0755 8.2454 8.2454 8.6816 8.6816
k = 0.5726 0.1983 0.1777 ( 3756 PWs) bands (ev):
-14.7135 -14.7135 -14.3647 -14.3647 -10.9065 -10.9065 -10.4514 -10.4514
-3.4816 -3.4816 -3.1662 -3.1662 -2.6782 -2.6782 -2.2993 -2.2993
-1.3006 -1.3006 -0.9161 -0.9161 -0.6740 -0.6740 -0.4140 -0.4140
0.7220 0.7220 1.5388 1.5388 2.4264 2.4264 2.5873 2.5873
2.8234 2.8234 3.1223 3.1223 3.2163 3.2163 4.2074 4.2074
4.5741 4.5741 8.0981 8.0981 8.2326 8.2326 8.6819 8.6819
k = 0.5645 0.1955 0.1923 ( 3756 PWs) bands (ev):
-14.7127 -14.7127 -14.3648 -14.3648 -10.9130 -10.9130 -10.4472 -10.4472
-3.4517 -3.4517 -3.1522 -3.1522 -2.7073 -2.7073 -2.3158 -2.3158
-1.2912 -1.2912 -0.9136 -0.9136 -0.7007 -0.7007 -0.4206 -0.4206
0.7316 0.7316 1.5383 1.5383 2.4622 2.4622 2.6045 2.6045
2.8203 2.8203 3.1156 3.1156 3.2101 3.2101 4.1891 4.1891
4.5705 4.5705 8.1199 8.1199 8.2215 8.2215 8.6790 8.6790
k = 0.5564 0.1927 0.2069 ( 3757 PWs) bands (ev):
-14.7119 -14.7119 -14.3649 -14.3649 -10.9188 -10.9188 -10.4435 -10.4435
-3.4226 -3.4226 -3.1393 -3.1393 -2.7365 -2.7365 -2.3301 -2.3301
-1.2822 -1.2822 -0.9112 -0.9112 -0.7254 -0.7254 -0.4267 -0.4267
0.7406 0.7406 1.5379 1.5379 2.4978 2.4978 2.6205 2.6205
2.8162 2.8162 3.1082 3.1082 3.2038 3.2038 4.1719 4.1719
4.5669 4.5669 8.1407 8.1407 8.2120 8.2120 8.6732 8.6732
k = 0.5484 0.1899 0.2215 ( 3754 PWs) bands (ev):
-14.7113 -14.7113 -14.3649 -14.3649 -10.9239 -10.9239 -10.4402 -10.4402
-3.3948 -3.3948 -3.1278 -3.1278 -2.7651 -2.7651 -2.3423 -2.3423
-1.2736 -1.2736 -0.9090 -0.9090 -0.7477 -0.7477 -0.4320 -0.4320
0.7486 0.7486 1.5375 1.5375 2.5327 2.5327 2.6352 2.6352
2.8110 2.8110 3.1005 3.1005 3.1977 3.1977 4.1564 4.1564
4.5636 4.5636 8.1599 8.1599 8.2044 8.2044 8.6654 8.6654
k = 0.5403 0.1871 0.2361 ( 3760 PWs) bands (ev):
-14.7107 -14.7107 -14.3649 -14.3649 -10.9282 -10.9282 -10.4374 -10.4374
-3.3688 -3.3688 -3.1177 -3.1177 -2.7923 -2.7923 -2.3526 -2.3526
-1.2658 -1.2658 -0.9072 -0.9072 -0.7674 -0.7674 -0.4366 -0.4366
0.7556 0.7556 1.5372 1.5372 2.5663 2.5663 2.6483 2.6483
2.8043 2.8043 3.0927 3.0927 3.1921 3.1921 4.1426 4.1426
4.5605 4.5605 8.1757 8.1757 8.1999 8.1999 8.6563 8.6563
k = 0.5323 0.1843 0.2508 ( 3754 PWs) bands (ev):
-14.7103 -14.7103 -14.3649 -14.3649 -10.9318 -10.9318 -10.4351 -10.4351
-3.3453 -3.3453 -3.1091 -3.1091 -2.8172 -2.8172 -2.3609 -2.3609
-1.2588 -1.2588 -0.9056 -0.9056 -0.7841 -0.7841 -0.4404 -0.4404
0.7614 0.7614 1.5369 1.5369 2.5978 2.5978 2.6599 2.6599
2.7959 2.7959 3.0853 3.0853 3.1870 3.1870 4.1310 4.1310
4.5580 4.5580 8.1830 8.1830 8.2032 8.2032 8.6468 8.6468
k = 0.5242 0.1815 0.2654 ( 3754 PWs) bands (ev):
-14.7099 -14.7099 -14.3649 -14.3649 -10.9345 -10.9345 -10.4333 -10.4333
-3.3252 -3.3252 -3.1022 -3.1022 -2.8387 -2.8387 -2.3673 -2.3673
-1.2530 -1.2530 -0.9043 -0.9043 -0.7976 -0.7976 -0.4434 -0.4434
0.7660 0.7660 1.5367 1.5367 2.6258 2.6258 2.6705 2.6705
2.7858 2.7858 3.0787 3.0787 3.1829 3.1829 4.1217 4.1217
4.5559 4.5559 8.1821 8.1821 8.2134 8.2134 8.6379 8.6379
k = 0.5161 0.1787 0.2800 ( 3748 PWs) bands (ev):
-14.7097 -14.7097 -14.3649 -14.3649 -10.9365 -10.9365 -10.4320 -10.4320
-3.3097 -3.3097 -3.0970 -3.0970 -2.8555 -2.8555 -2.3719 -2.3719
-1.2486 -1.2486 -0.9033 -0.9033 -0.8075 -0.8075 -0.4456 -0.4456
0.7694 0.7694 1.5366 1.5366 2.6475 2.6475 2.6814 2.6814
2.7744 2.7744 3.0736 3.0736 3.1797 3.1797 4.1149 4.1149
4.5543 4.5543 8.1799 8.1799 8.2229 8.2229 8.6307 8.6307
k = 0.5081 0.1760 0.2946 ( 3748 PWs) bands (ev):
-14.7096 -14.7096 -14.3650 -14.3650 -10.9377 -10.9377 -10.4312 -10.4312
-3.2997 -3.2997 -3.0938 -3.0938 -2.8663 -2.8663 -2.3747 -2.3747
-1.2459 -1.2459 -0.9028 -0.9028 -0.8136 -0.8136 -0.4469 -0.4469
0.7714 0.7714 1.5365 1.5365 2.6599 2.6599 2.6931 2.6931
2.7634 2.7634 3.0703 3.0703 3.1778 3.1778 4.1108 4.1108
4.5533 4.5533 8.1785 8.1785 8.2290 8.2290 8.6260 8.6260
k = 0.5000 0.1732 0.3092 ( 3748 PWs) bands (ev):
-14.7095 -14.7095 -14.3650 -14.3650 -10.9381 -10.9381 -10.4310 -10.4310
-3.2963 -3.2963 -3.0927 -3.0927 -2.8700 -2.8700 -2.3756 -2.3756
-1.2450 -1.2450 -0.9026 -0.9026 -0.8157 -0.8157 -0.4474 -0.4474
0.7721 0.7721 1.5364 1.5364 2.6635 2.6635 2.6992 2.6992
2.7580 2.7580 3.0691 3.0691 3.1771 3.1771 4.1094 4.1094
4.5530 4.5530 8.1779 8.1779 8.2312 8.2312 8.6243 8.6243
k = 0.5000 0.1732 0.3092 ( 3748 PWs) bands (ev):
-14.7095 -14.7095 -14.3650 -14.3650 -10.9381 -10.9381 -10.4310 -10.4310
-3.2963 -3.2963 -3.0927 -3.0927 -2.8700 -2.8700 -2.3756 -2.3756
-1.2450 -1.2450 -0.9026 -0.9026 -0.8157 -0.8157 -0.4474 -0.4474
0.7721 0.7721 1.5364 1.5364 2.6635 2.6635 2.6992 2.6992
2.7580 2.7580 3.0691 3.0691 3.1771 3.1771 4.1094 4.1094
4.5530 4.5530 8.1779 8.1779 8.2312 8.2312 8.6243 8.6243
k = 0.5057 0.1567 0.3092 ( 3752 PWs) bands (ev):
-14.7093 -14.7093 -14.3650 -14.3650 -10.9377 -10.9377 -10.4308 -10.4308
-3.2958 -3.2958 -3.0929 -3.0929 -2.8699 -2.8699 -2.3754 -2.3754
-1.2459 -1.2459 -0.9136 -0.9136 -0.8057 -0.8057 -0.4475 -0.4475
0.7724 0.7724 1.5352 1.5352 2.6619 2.6619 2.6975 2.6975
2.7606 2.7606 3.0550 3.0550 3.1882 3.1882 4.1114 4.1114
4.5513 4.5513 8.1761 8.1761 8.2318 8.2318 8.6239 8.6239
k = 0.5114 0.1403 0.3092 ( 3748 PWs) bands (ev):
-14.7087 -14.7087 -14.3651 -14.3651 -10.9363 -10.9363 -10.4303 -10.4303
-3.2942 -3.2942 -3.0934 -3.0934 -2.8697 -2.8697 -2.3750 -2.3750
-1.2485 -1.2485 -0.9385 -0.9385 -0.7838 -0.7838 -0.4476 -0.4476
0.7734 0.7734 1.5315 1.5315 2.6573 2.6573 2.6927 2.6927
2.7676 2.7676 3.0226 3.0226 3.2115 3.2115 4.1172 4.1172
4.5463 4.5463 8.1706 8.1706 8.2338 8.2338 8.6227 8.6227
k = 0.5171 0.1238 0.3092 ( 3746 PWs) bands (ev):
-14.7077 -14.7077 -14.3652 -14.3652 -10.9341 -10.9341 -10.4294 -10.4294
-3.2914 -3.2914 -3.0942 -3.0942 -2.8694 -2.8694 -2.3742 -2.3742
-1.2528 -1.2528 -0.9689 -0.9689 -0.7584 -0.7584 -0.4478 -0.4478
0.7751 0.7751 1.5254 1.5254 2.6504 2.6504 2.6852 2.6852
2.7772 2.7772 2.9833 2.9833 3.2369 3.2369 4.1264 4.1264
4.5380 4.5380 8.1614 8.1614 8.2370 8.2370 8.6207 8.6207
k = 0.5228 0.1074 0.3092 ( 3744 PWs) bands (ev):
-14.7064 -14.7064 -14.3654 -14.3654 -10.9310 -10.9310 -10.4282 -10.4282
-3.2877 -3.2877 -3.0953 -3.0953 -2.8690 -2.8690 -2.3732 -2.3732
-1.2589 -1.2589 -1.0020 -1.0020 -0.7321 -0.7321 -0.4481 -0.4481
0.7774 0.7774 1.5170 1.5170 2.6416 2.6416 2.6742 2.6742
2.7879 2.7879 2.9425 2.9425 3.2608 3.2608 4.1389 4.1389
4.5269 4.5269 8.1486 8.1486 8.2412 8.2412 8.6179 8.6179
k = 0.5285 0.0910 0.3092 ( 3748 PWs) bands (ev):
-14.7046 -14.7046 -14.3656 -14.3656 -10.9271 -10.9271 -10.4267 -10.4267
-3.2828 -3.2828 -3.0968 -3.0968 -2.8685 -2.8685 -2.3718 -2.3718
-1.2668 -1.2668 -1.0369 -1.0369 -0.7061 -0.7061 -0.4483 -0.4483
0.7804 0.7804 1.5063 1.5063 2.6316 2.6316 2.6579 2.6579
2.7983 2.7983 2.9044 2.9044 3.2821 3.2821 4.1540 4.1540
4.5131 4.5131 8.1323 8.1323 8.2460 8.2460 8.6140 8.6140
k = 0.5342 0.0745 0.3092 ( 3750 PWs) bands (ev):
-14.7025 -14.7025 -14.3659 -14.3659 -10.9223 -10.9223 -10.4248 -10.4248
-3.2770 -3.2770 -3.0986 -3.0986 -2.8679 -2.8679 -2.3702 -2.3702
-1.2763 -1.2763 -1.0730 -1.0730 -0.6806 -0.6806 -0.4485 -0.4485
0.7840 0.7840 1.4936 1.4936 2.6196 2.6196 2.6347 2.6347
2.8058 2.8058 2.8745 2.8745 3.3008 3.3008 4.1712 4.1712
4.4972 4.4972 8.1128 8.1128 8.2506 8.2506 8.6082 8.6082
k = 0.5399 0.0581 0.3092 ( 3750 PWs) bands (ev):
-14.7000 -14.7000 -14.3663 -14.3663 -10.9166 -10.9166 -10.4226 -10.4226
-3.2702 -3.2702 -3.1007 -3.1007 -2.8672 -2.8672 -2.3682 -2.3682
-1.2875 -1.2875 -1.1101 -1.1101 -0.6559 -0.6559 -0.4486 -0.4486
0.7884 0.7884 1.4791 1.4791 2.5946 2.5946 2.6138 2.6138
2.8057 2.8057 2.8596 2.8596 3.3167 3.3167 4.1899 4.1899
4.4797 4.4797 8.0903 8.0903 8.2542 8.2542 8.5894 8.5894
k = 0.5455 0.0416 0.3092 ( 3744 PWs) bands (ev):
-14.6971 -14.6971 -14.3667 -14.3667 -10.9101 -10.9101 -10.4202 -10.4202
-3.2625 -3.2625 -3.1031 -3.1031 -2.8666 -2.8666 -2.3660 -2.3660
-1.3005 -1.3005 -1.1481 -1.1481 -0.6320 -0.6320 -0.4485 -0.4485
0.7933 0.7933 1.4630 1.4630 2.5507 2.5507 2.6012 2.6012
2.7980 2.7980 2.8602 2.8602 3.3302 3.3302 4.2096 4.2096
4.4611 4.4611 8.0651 8.0651 8.2558 8.2558 8.5585 8.5585
k = 0.5512 0.0252 0.3092 ( 3740 PWs) bands (ev):
-14.6939 -14.6939 -14.3672 -14.3672 -10.9029 -10.9029 -10.4174 -10.4174
-3.2540 -3.2540 -3.1058 -3.1058 -2.8659 -2.8659 -2.3634 -2.3634
-1.3150 -1.3150 -1.1868 -1.1868 -0.6089 -0.6089 -0.4481 -0.4481
0.7989 0.7989 1.4453 1.4453 2.4973 2.4973 2.5895 2.5895
2.7895 2.7895 2.8673 2.8673 3.3414 3.3414 4.2296 4.2296
4.4420 4.4420 8.0376 8.0376 8.2539 8.2539 8.5291 8.5291
k = 0.5569 0.0088 0.3092 ( 3740 PWs) bands (ev):
-14.6903 -14.6903 -14.3678 -14.3678 -10.8948 -10.8948 -10.4144 -10.4144
-3.2449 -3.2449 -3.1085 -3.1085 -2.8654 -2.8654 -2.3605 -2.3605
-1.3311 -1.3311 -1.2260 -1.2260 -0.5867 -0.5867 -0.4473 -0.4473
0.8052 0.8052 1.4264 1.4264 2.4375 2.4375 2.5775 2.5775
2.7832 2.7832 2.8759 2.8759 3.3505 3.3505 4.2497 4.2497
4.4228 4.4228 8.0080 8.0080 8.2470 8.2470 8.5040 8.5040
k = 0.5626-0.0077 0.3092 ( 3740 PWs) bands (ev):
-14.6864 -14.6864 -14.3685 -14.3685 -10.8860 -10.8860 -10.4111 -10.4111
-3.2353 -3.2353 -3.1113 -3.1113 -2.8649 -2.8649 -2.3573 -2.3573
-1.3487 -1.3487 -1.2656 -1.2656 -0.5655 -0.5655 -0.4461 -0.4461
0.8121 0.8121 1.4063 1.4063 2.3734 2.3734 2.5654 2.5654
2.7792 2.7792 2.8841 2.8841 3.3578 3.3578 4.2692 4.2692
4.4043 4.4043 7.9767 7.9767 8.2337 8.2337 8.4846 8.4846
k = 0.5683-0.0241 0.3092 ( 3738 PWs) bands (ev):
-14.6821 -14.6821 -14.3692 -14.3692 -10.8764 -10.8764 -10.4076 -10.4076
-3.2256 -3.2256 -3.1137 -3.1137 -2.8646 -2.8646 -2.3537 -2.3537
-1.3676 -1.3676 -1.3054 -1.3054 -0.5452 -0.5452 -0.4445 -0.4445
0.8196 0.8196 1.3853 1.3853 2.3066 2.3066 2.5529 2.5529
2.7767 2.7767 2.8910 2.8910 3.3636 3.3636 4.2880 4.2880
4.3869 4.3869 7.9440 7.9440 8.2135 8.2135 8.4716 8.4716
k = 0.5740-0.0406 0.3092 ( 3732 PWs) bands (ev):
-14.6776 -14.6776 -14.3701 -14.3701 -10.8662 -10.8662 -10.4039 -10.4039
-3.2165 -3.2165 -3.1153 -3.1153 -2.8645 -2.8645 -2.3499 -2.3499
-1.3879 -1.3879 -1.3454 -1.3454 -0.5259 -0.5259 -0.4424 -0.4424
0.8279 0.8279 1.3635 1.3635 2.2380 2.2380 2.5401 2.5401
2.7755 2.7755 2.8964 2.8964 3.3679 3.3679 4.3056 4.3056
4.3712 4.3712 7.9102 7.9102 8.1871 8.1871 8.4643 8.4643
k = 0.5797-0.0570 0.3092 ( 3734 PWs) bands (ev):
-14.6727 -14.6727 -14.3711 -14.3711 -10.8553 -10.8553 -10.4000 -10.4000
-3.2088 -3.2088 -3.1151 -3.1151 -2.8647 -2.8647 -2.3457 -2.3457
-1.4095 -1.4095 -1.3852 -1.3852 -0.5076 -0.5076 -0.4396 -0.4396
0.8368 0.8368 1.3412 1.3412 2.1683 2.1683 2.5267 2.5267
2.7751 2.7751 2.8998 2.8998 3.3708 3.3708 4.3214 4.3214
4.3578 4.3578 7.8757 7.8757 8.1558 8.1558 8.4616 8.4616
k = 0.5854-0.0734 0.3092 ( 3726 PWs) bands (ev):
-14.6676 -14.6676 -14.3721 -14.3721 -10.8437 -10.8437 -10.3960 -10.3960
-3.2036 -3.2036 -3.1123 -3.1123 -2.8653 -2.8653 -2.3412 -2.3412
-1.4328 -1.4328 -1.4240 -1.4240 -0.4904 -0.4904 -0.4363 -0.4363
0.8464 0.8464 1.3184 1.3184 2.0981 2.0981 2.5129 2.5129
2.7753 2.7753 2.9012 2.9012 3.3726 3.3726 4.3334 4.3334
4.3493 4.3493 7.8407 7.8407 8.1212 8.1212 8.4619 8.4619
k = 0.5911-0.0899 0.3092 ( 3726 PWs) bands (ev):
-14.6621 -14.6621 -14.3734 -14.3734 -10.8315 -10.8315 -10.3918 -10.3918
-3.2019 -3.2019 -3.1058 -3.1058 -2.8662 -2.8662 -2.3364 -2.3364
-1.4659 -1.4659 -1.4536 -1.4536 -0.4742 -0.4742 -0.4324 -0.4324
0.8566 0.8566 1.2954 1.2954 2.0279 2.0279 2.4984 2.4984
2.7760 2.7760 2.9006 2.9006 3.3733 3.3733 4.3326 4.3326
4.3546 4.3546 7.8055 7.8055 8.0843 8.0843 8.4641 8.4641
k = 0.5968-0.1063 0.3092 ( 3724 PWs) bands (ev):
-14.6564 -14.6564 -14.3747 -14.3747 -10.8188 -10.8188 -10.3875 -10.3875
-3.2041 -3.2041 -3.0955 -3.0955 -2.8675 -2.8675 -2.3314 -2.3314
-1.5044 -1.5044 -1.4778 -1.4778 -0.4593 -0.4593 -0.4278 -0.4278
0.8675 0.8675 1.2721 1.2721 1.9580 1.9580 2.4833 2.4833
2.7770 2.7770 2.8980 2.8980 3.3730 3.3730 4.3273 4.3273
4.3654 4.3654 7.7705 7.7705 8.0463 8.0463 8.4675 8.4675
k = 0.6025-0.1227 0.3092 ( 3722 PWs) bands (ev):
-14.6505 -14.6505 -14.3762 -14.3762 -10.8056 -10.8056 -10.3832 -10.3832
-3.2096 -3.2096 -3.0818 -3.0818 -2.8694 -2.8694 -2.3261 -2.3261
-1.5426 -1.5426 -1.5022 -1.5022 -0.4455 -0.4455 -0.4225 -0.4225
0.8791 0.8791 1.2489 1.2489 1.8889 1.8889 2.4674 2.4674
2.7780 2.7780 2.8936 2.8936 3.3716 3.3716 4.3238 4.3238
4.3754 4.3754 7.7359 7.7359 8.0077 8.0077 8.4714 8.4714
k = 0.6082-0.1392 0.3092 ( 3722 PWs) bands (ev):
-14.6443 -14.6443 -14.3778 -14.3778 -10.7919 -10.7919 -10.3788 -10.3788
-3.2179 -3.2179 -3.0654 -3.0654 -2.8719 -2.8719 -2.3205 -2.3205
-1.5800 -1.5800 -1.5265 -1.5265 -0.4330 -0.4330 -0.4166 -0.4166
0.8914 0.8914 1.2258 1.2258 1.8207 1.8207 2.4506 2.4506
2.7791 2.7791 2.8879 2.8879 3.3693 3.3693 4.3226 4.3226
4.3841 4.3841 7.7020 7.7020 7.9692 7.9692 8.4724 8.4724
k = 0.6139-0.1556 0.3092 ( 3724 PWs) bands (ev):
-14.6379 -14.6379 -14.3796 -14.3796 -10.7777 -10.7777 -10.3744 -10.3744
-3.2285 -3.2285 -3.0470 -3.0470 -2.8750 -2.8750 -2.3149 -2.3149
-1.6164 -1.6164 -1.5508 -1.5508 -0.4219 -0.4219 -0.4100 -0.4100
0.9042 0.9042 1.2029 1.2029 1.7539 1.7539 2.4329 2.4329
2.7800 2.7800 2.8810 2.8810 3.3661 3.3661 4.3237 4.3237
4.3912 4.3912 7.6690 7.6690 7.9309 7.9309 8.4550 8.4550
k = 0.6196-0.1721 0.3092 ( 3722 PWs) bands (ev):
-14.6313 -14.6313 -14.3816 -14.3816 -10.7632 -10.7632 -10.3700 -10.3700
-3.2410 -3.2410 -3.0269 -3.0269 -2.8789 -2.8789 -2.3091 -2.3091
-1.6518 -1.6518 -1.5748 -1.5748 -0.4121 -0.4121 -0.4028 -0.4028
0.9176 0.9176 1.1803 1.1803 1.6887 1.6887 2.4143 2.4143
2.7806 2.7806 2.8737 2.8737 3.3620 3.3620 4.3270 4.3270
4.3968 4.3968 7.6373 7.6373 7.8934 7.8934 8.4366 8.4366
k = 0.6252-0.1885 0.3092 ( 3724 PWs) bands (ev):
-14.6246 -14.6246 -14.3837 -14.3837 -10.7483 -10.7483 -10.3656 -10.3656
-3.2551 -3.2551 -3.0054 -3.0054 -2.8835 -2.8835 -2.3032 -2.3032
-1.6858 -1.6858 -1.5981 -1.5981 -0.4034 -0.4034 -0.3952 -0.3952
0.9314 0.9314 1.1581 1.1581 1.6254 1.6254 2.3946 2.3946
2.7805 2.7805 2.8665 2.8665 3.3569 3.3569 4.3321 4.3321
4.4010 4.4010 7.6070 7.6070 7.8567 7.8567 8.4173 8.4173
k = 0.6309-0.2049 0.3092 ( 3720 PWs) bands (ev):
-14.6176 -14.6176 -14.3860 -14.3860 -10.7332 -10.7332 -10.3614 -10.3614
-3.2708 -3.2708 -2.9828 -2.9828 -2.8889 -2.8889 -2.2974 -2.2974
-1.7185 -1.7185 -1.6205 -1.6205 -0.3960 -0.3960 -0.3873 -0.3873
0.9455 0.9455 1.1364 1.1364 1.5643 1.5643 2.3739 2.3739
2.7794 2.7794 2.8601 2.8601 3.3509 3.3509 4.3387 4.3387
4.4037 4.4037 7.5782 7.5782 7.8212 7.8212 8.3972 8.3972
k = 0.6366-0.2214 0.3092 ( 3722 PWs) bands (ev):
-14.6106 -14.6106 -14.3886 -14.3886 -10.7178 -10.7178 -10.3572 -10.3572
-3.2880 -3.2880 -2.9590 -2.9590 -2.8951 -2.8951 -2.2918 -2.2918
-1.7496 -1.7496 -1.6418 -1.6418 -0.3898 -0.3898 -0.3791 -0.3791
0.9595 0.9595 1.1153 1.1153 1.5060 1.5060 2.3522 2.3522
2.7771 2.7771 2.8550 2.8550 3.3440 3.3440 4.3464 4.3464
4.4052 4.4052 7.5513 7.5513 7.7870 7.7870 8.3762 8.3762
k = 0.6423-0.2378 0.3092 ( 3726 PWs) bands (ev):
-14.6034 -14.6034 -14.3913 -14.3913 -10.7022 -10.7022 -10.3532 -10.3532
-3.3065 -3.3065 -2.9343 -2.9343 -2.9023 -2.9023 -2.2864 -2.2864
-1.7790 -1.7790 -1.6615 -1.6615 -0.3851 -0.3851 -0.3704 -0.3704
0.9731 0.9731 1.0949 1.0949 1.4510 1.4510 2.3294 2.3294
2.7734 2.7734 2.8517 2.8517 3.3361 3.3361 4.3549 4.3549
4.4054 4.4054 7.5263 7.5263 7.7543 7.7543 8.3545 8.3545
k = 0.6480-0.2543 0.3092 ( 3728 PWs) bands (ev):
-14.5961 -14.5961 -14.3942 -14.3942 -10.6865 -10.6865 -10.3494 -10.3494
-3.3264 -3.3264 -2.9107 -2.9107 -2.9085 -2.9085 -2.2814 -2.2814
-1.8067 -1.8067 -1.6795 -1.6795 -0.3821 -0.3821 -0.3611 -0.3611
0.9854 0.9854 1.0753 1.0753 1.4000 1.4000 2.3056 2.3056
2.7685 2.7685 2.8503 2.8503 3.3273 3.3273 4.3638 4.3638
4.4047 4.4047 7.5035 7.5035 7.7231 7.7231 8.3322 8.3322
k = 0.6537-0.2707 0.3092 ( 3728 PWs) bands (ev):
-14.5887 -14.5887 -14.3973 -14.3973 -10.6708 -10.6708 -10.3457 -10.3457
-3.3475 -3.3475 -2.9196 -2.9196 -2.8823 -2.8823 -2.2768 -2.2768
-1.8326 -1.8326 -1.6955 -1.6955 -0.3805 -0.3805 -0.3514 -0.3514
0.9953 0.9953 1.0566 1.0566 1.3541 1.3541 2.2810 2.2810
2.7628 2.7628 2.8507 2.8507 3.3175 3.3175 4.3726 4.3726
4.4032 4.4032 7.4829 7.4829 7.6938 7.6938 8.3093 8.3093
k = 0.6594-0.2871 0.3092 ( 3734 PWs) bands (ev):
-14.5813 -14.5813 -14.4007 -14.4007 -10.6550 -10.6550 -10.3424 -10.3424
-3.3698 -3.3698 -2.9296 -2.9296 -2.8553 -2.8553 -2.2728 -2.2728
-1.8565 -1.8565 -1.7092 -1.7092 -0.3805 -0.3805 -0.3413 -0.3413
1.0012 1.0012 1.0391 1.0391 1.3151 1.3151 2.2555 2.2555
2.7566 2.7566 2.8526 2.8526 3.3067 3.3067 4.3806 4.3806
4.4013 4.4013 7.4646 7.4646 7.6662 7.6662 8.2859 8.2859
k = 0.6651-0.3036 0.3092 ( 3728 PWs) bands (ev):
-14.5738 -14.5738 -14.4043 -14.4043 -10.6392 -10.6392 -10.3393 -10.3393
-3.3932 -3.3932 -2.9408 -2.9408 -2.8275 -2.8275 -2.2694 -2.2694
-1.8785 -1.8785 -1.7203 -1.7203 -0.3819 -0.3819 -0.3309 -0.3309
1.0006 1.0006 1.0232 1.0232 1.2849 1.2849 2.2295 2.2295
2.7506 2.7506 2.8556 2.8556 3.2950 3.2950 4.3864 4.3864
4.4005 4.4005 7.4487 7.4487 7.6407 7.6407 8.2622 8.2622
k = 0.6708-0.3200 0.3092 ( 3728 PWs) bands (ev):
-14.5662 -14.5662 -14.4081 -14.4081 -10.6236 -10.6236 -10.3365 -10.3365
-3.4177 -3.4177 -2.9529 -2.9529 -2.7991 -2.7991 -2.2667 -2.2667
-1.8986 -1.8986 -1.7287 -1.7287 -0.3848 -0.3848 -0.3202 -0.3202
0.9918 0.9918 1.0086 1.0086 1.2656 1.2656 2.2030 2.2030
2.7449 2.7449 2.8596 2.8596 3.2823 3.2823 4.3873 4.3873
4.4030 4.4030 7.4354 7.4354 7.6172 7.6172 8.2383 8.2383
k = 0.6765-0.3365 0.3092 ( 3730 PWs) bands (ev):
-14.5587 -14.5587 -14.4121 -14.4121 -10.6080 -10.6080 -10.3340 -10.3340
-3.4431 -3.4431 -2.9660 -2.9660 -2.7702 -2.7702 -2.2647 -2.2647
-1.9166 -1.9166 -1.7343 -1.7343 -0.3889 -0.3889 -0.3093 -0.3093
0.9765 0.9765 0.9932 0.9932 1.2576 1.2576 2.1761 2.1761
2.7398 2.7398 2.8642 2.8642 3.2688 3.2688 4.3845 4.3845
4.4078 4.4078 7.4246 7.4246 7.5959 7.5959 8.2143 8.2143
k = 0.6822-0.3529 0.3092 ( 3728 PWs) bands (ev):
-14.5512 -14.5512 -14.4164 -14.4164 -10.5927 -10.5927 -10.3319 -10.3319
-3.4693 -3.4693 -2.9801 -2.9801 -2.7409 -2.7409 -2.2634 -2.2634
-1.9325 -1.9325 -1.7370 -1.7370 -0.3942 -0.3942 -0.2984 -0.2984
0.9554 0.9554 0.9776 0.9776 1.2595 1.2595 2.1490 2.1490
2.7355 2.7355 2.8695 2.8695 3.2545 3.2545 4.3804 4.3804
4.4122 4.4122 7.4165 7.4165 7.5769 7.5769 8.1903 8.1903
k = 0.6879-0.3693 0.3092 ( 3726 PWs) bands (ev):
-14.5437 -14.5437 -14.4210 -14.4210 -10.5777 -10.5777 -10.3302 -10.3302
-3.4963 -3.4963 -2.9952 -2.9952 -2.7112 -2.7112 -2.2626 -2.2626
-1.9464 -1.9464 -1.7369 -1.7369 -0.4006 -0.4006 -0.2873 -0.2873
0.9292 0.9292 0.9637 0.9637 1.2689 1.2689 2.1220 2.1220
2.7319 2.7319 2.8753 2.8753 3.2394 3.2394 4.3758 4.3758
4.4156 4.4156 7.4109 7.4109 7.5602 7.5602 8.1664 8.1664
k = 0.6936-0.3858 0.3092 ( 3726 PWs) bands (ev):
-14.5362 -14.5362 -14.4258 -14.4258 -10.5629 -10.5629 -10.3289 -10.3289
-3.5240 -3.5240 -3.0112 -3.0112 -2.6812 -2.6812 -2.2622 -2.2622
-1.9583 -1.9583 -1.7339 -1.7339 -0.4081 -0.4081 -0.2763 -0.2763
0.9000 0.9000 0.9515 0.9515 1.2833 1.2833 2.0951 2.0951
2.7292 2.7292 2.8813 2.8813 3.2238 3.2238 4.3710 4.3710
4.4173 4.4173 7.4079 7.4079 7.5459 7.5459 8.1429 8.1429
k = 0.6993-0.4022 0.3092 ( 3730 PWs) bands (ev):
-14.5288 -14.5288 -14.4308 -14.4308 -10.5486 -10.5486 -10.3280 -10.3280
-3.5521 -3.5521 -3.0281 -3.0281 -2.6510 -2.6510 -2.2621 -2.2621
-1.9680 -1.9680 -1.7283 -1.7283 -0.4164 -0.4164 -0.2653 -0.2653
0.8698 0.8698 0.9410 0.9410 1.3009 1.3009 2.0685 2.0685
2.7274 2.7274 2.8876 2.8876 3.2077 3.2077 4.3663 4.3663
4.4174 4.4174 7.4076 7.4076 7.5340 7.5340 8.1198 8.1198
k = 0.7050-0.4187 0.3092 ( 3734 PWs) bands (ev):
-14.5215 -14.5215 -14.4361 -14.4361 -10.5346 -10.5346 -10.3275 -10.3275
-3.5808 -3.5808 -3.0459 -3.0459 -2.6206 -2.6206 -2.2621 -2.2621
-1.9758 -1.9758 -1.7202 -1.7202 -0.4255 -0.4255 -0.2545 -0.2545
0.8397 0.8397 0.9318 0.9318 1.3206 1.3206 2.0424 2.0424
2.7264 2.7264 2.8940 2.8940 3.1914 3.1914 4.3617 4.3617
4.4156 4.4156 7.4099 7.4099 7.5247 7.5247 8.0972 8.0972
k = 0.7106-0.4351 0.3092 ( 3732 PWs) bands (ev):
-14.5143 -14.5143 -14.4416 -14.4416 -10.5211 -10.5211 -10.3276 -10.3276
-3.6097 -3.6097 -3.0644 -3.0644 -2.5903 -2.5903 -2.2618 -2.2618
-1.9814 -1.9814 -1.7097 -1.7097 -0.4351 -0.4351 -0.2438 -0.2438
0.8106 0.8106 0.9242 0.9242 1.3415 1.3415 2.0169 2.0169
2.7262 2.7262 2.9002 2.9002 3.1752 3.1752 4.3574 4.3574
4.4120 4.4120 7.4147 7.4147 7.5179 7.5179 8.0754 8.0754
k = 0.7163-0.4515 0.3092 ( 3732 PWs) bands (ev):
-14.5072 -14.5072 -14.4474 -14.4474 -10.5081 -10.5081 -10.3281 -10.3281
-3.6389 -3.6389 -3.0837 -3.0837 -2.5601 -2.5601 -2.2612 -2.2612
-1.9850 -1.9850 -1.6971 -1.6971 -0.4452 -0.4452 -0.2334 -0.2334
0.7827 0.7827 0.9180 0.9180 1.3629 1.3629 1.9921 1.9921
2.7269 2.7269 2.9061 2.9061 3.1595 3.1595 4.3535 4.3535
4.4065 4.4065 7.4221 7.4221 7.5138 7.5138 8.0543 8.0543
k = 0.7220-0.4680 0.3092 ( 3734 PWs) bands (ev):
-14.5002 -14.5002 -14.4535 -14.4535 -10.4956 -10.4956 -10.3291 -10.3291
-3.6683 -3.6683 -3.1036 -3.1036 -2.5301 -2.5301 -2.2601 -2.2601
-1.9865 -1.9865 -1.6826 -1.6826 -0.4555 -0.4555 -0.2234 -0.2234
0.7565 0.7565 0.9133 0.9133 1.3843 1.3843 1.9680 1.9680
2.7282 2.7282 2.9112 2.9112 3.1447 3.1447 4.3500 4.3500
4.3992 4.3992 7.4320 7.4320 7.5122 7.5122 8.0342 8.0342
k = 0.7277-0.4844 0.3092 ( 3736 PWs) bands (ev):
-14.4933 -14.4933 -14.4597 -14.4597 -10.4837 -10.4837 -10.3306 -10.3306
-3.6977 -3.6977 -3.1241 -3.1241 -2.5004 -2.5004 -2.2581 -2.2581
-1.9859 -1.9859 -1.6664 -1.6664 -0.4659 -0.4659 -0.2137 -0.2137
0.7321 0.7321 0.9102 0.9102 1.4054 1.4054 1.9449 1.9449
2.7302 2.7302 2.9151 2.9151 3.1315 3.1315 4.3469 4.3469
4.3901 4.3901 7.4444 7.4444 7.5134 7.5134 8.0152 8.0152
k = 0.7334-0.5009 0.3092 ( 3738 PWs) bands (ev):
-14.4866 -14.4866 -14.4662 -14.4662 -10.4724 -10.4724 -10.3326 -10.3326
-3.7272 -3.7272 -3.1451 -3.1451 -2.4713 -2.4713 -2.2552 -2.2552
-1.9832 -1.9832 -1.6487 -1.6487 -0.4763 -0.4763 -0.2045 -0.2045
0.7097 0.7097 0.9087 0.9087 1.4259 1.4259 1.9227 1.9227
2.7329 2.7329 2.9174 2.9174 3.1204 3.1204 4.3440 4.3440
4.3797 4.3797 7.4590 7.4590 7.5171 7.5171 7.9974 7.9974
k = 0.2666-0.7698 0.4698 ( 3738 PWs) bands (ev):
-14.4866 -14.4866 -14.4662 -14.4662 -10.4724 -10.4724 -10.3326 -10.3326
-3.7272 -3.7272 -3.1451 -3.1451 -2.4713 -2.4713 -2.2552 -2.2552
-1.9832 -1.9832 -1.6487 -1.6487 -0.4763 -0.4763 -0.2045 -0.2045
0.7097 0.7097 0.9087 0.9087 1.4259 1.4259 1.9227 1.9227
2.7329 2.7329 2.9174 2.9174 3.1204 3.1204 4.3440 4.3440
4.3797 4.3797 7.4590 7.4590 7.5171 7.5171 7.9974 7.9974
k = 0.2609-0.7534 0.4698 ( 3738 PWs) bands (ev):
-14.4801 -14.4801 -14.4729 -14.4729 -10.4618 -10.4618 -10.3351 -10.3351
-3.7564 -3.7564 -3.1665 -3.1665 -2.4429 -2.4429 -2.2513 -2.2513
-1.9784 -1.9784 -1.6298 -1.6298 -0.4864 -0.4864 -0.1958 -0.1958
0.6894 0.6894 0.9088 0.9088 1.4453 1.4453 1.9016 1.9016
2.7360 2.7360 2.9175 2.9175 3.1123 3.1123 4.3408 4.3408
4.3688 4.3688 7.4760 7.4760 7.5235 7.5235 7.9809 7.9809
k = 0.2552-0.7370 0.4698 ( 3736 PWs) bands (ev):
-14.4798 -14.4798 -14.4738 -14.4738 -10.4519 -10.4519 -10.3381 -10.3381
-3.7856 -3.7856 -3.1883 -3.1883 -2.4152 -2.4152 -2.2461 -2.2461
-1.9715 -1.9715 -1.6097 -1.6097 -0.4961 -0.4961 -0.1877 -0.1877
0.6712 0.6712 0.9105 0.9105 1.4635 1.4635 1.8817 1.8817
2.7396 2.7396 2.9150 2.9150 3.1075 3.1075 4.3354 4.3354
4.3593 4.3593 7.4951 7.4951 7.5326 7.5326 7.9657 7.9657
k = 0.2496-0.7206 0.4698 ( 3734 PWs) bands (ev):
-14.4869 -14.4869 -14.4676 -14.4676 -10.4426 -10.4426 -10.3417 -10.3417
-3.8145 -3.8145 -3.2105 -3.2105 -2.3885 -2.3885 -2.2396 -2.2396
-1.9624 -1.9624 -1.5887 -1.5887 -0.5053 -0.5053 -0.1802 -0.1802
0.6552 0.6552 0.9138 0.9138 1.4803 1.4803 1.8629 1.8629
2.7436 2.7436 2.9098 2.9098 3.1064 3.1064 4.3251 4.3251
4.3541 4.3541 7.5162 7.5162 7.5442 7.5442 7.9521 7.9521
k = 0.2439-0.7043 0.4698 ( 3732 PWs) bands (ev):
-14.4942 -14.4942 -14.4617 -14.4617 -10.4341 -10.4341 -10.3457 -10.3457
-3.8432 -3.8432 -3.2329 -3.2329 -2.3627 -2.3627 -2.2317 -2.2317
-1.9512 -1.9512 -1.5668 -1.5668 -0.5139 -0.5139 -0.1734 -0.1734
0.6415 0.6415 0.9187 0.9187 1.4953 1.4953 1.8453 1.8453
2.7478 2.7478 2.9024 2.9024 3.1087 3.1087 4.3104 4.3104
4.3530 4.3530 7.5393 7.5393 7.5585 7.5585 7.9401 7.9401
k = 0.2382-0.6879 0.4698 ( 3734 PWs) bands (ev):
-14.5017 -14.5017 -14.4560 -14.4560 -10.4263 -10.4263 -10.3502 -10.3502
-3.8716 -3.8716 -3.2555 -3.2555 -2.3381 -2.3381 -2.2223 -2.2223
-1.9380 -1.9380 -1.5442 -1.5442 -0.5218 -0.5218 -0.1672 -0.1672
0.6301 0.6301 0.9253 0.9253 1.5084 1.5084 1.8289 1.8289
2.7521 2.7521 2.8934 2.8934 3.1139 3.1139 4.2932 4.2932
4.3543 4.3543 7.5641 7.5641 7.5755 7.5755 7.9298 7.9298
k = 0.2325-0.6715 0.4698 ( 3736 PWs) bands (ev):
-14.5094 -14.5094 -14.4504 -14.4504 -10.4193 -10.4193 -10.3552 -10.3552
-3.8998 -3.8998 -3.2782 -3.2782 -2.3147 -2.3147 -2.2113 -2.2113
-1.9228 -1.9228 -1.5211 -1.5211 -0.5287 -0.5287 -0.1619 -0.1619
0.6211 0.6211 0.9335 0.9335 1.5195 1.5195 1.8137 1.8137
2.7564 2.7564 2.8835 2.8835 3.1216 3.1216 4.2746 4.2746
4.3571 4.3571 7.5899 7.5899 7.5958 7.5958 7.9213 7.9213
k = 0.2269-0.6551 0.4698 ( 3736 PWs) bands (ev):
-14.5172 -14.5172 -14.4451 -14.4451 -10.4129 -10.4129 -10.3607 -10.3607
-3.9276 -3.9276 -3.3011 -3.3011 -2.2926 -2.2926 -2.1988 -2.1988
-1.9056 -1.9056 -1.4975 -1.4975 -0.5347 -0.5347 -0.1574 -0.1574
0.6146 0.6146 0.9433 0.9433 1.5283 1.5283 1.7999 1.7999
2.7604 2.7604 2.8735 2.8735 3.1310 3.1310 4.2551 4.2551
4.3613 4.3613 7.6143 7.6143 7.6211 7.6211 7.9149 7.9149
k = 0.2212-0.6387 0.4698 ( 3734 PWs) bands (ev):
-14.5252 -14.5252 -14.4400 -14.4400 -10.4073 -10.4073 -10.3666 -10.3666
-3.9550 -3.9550 -3.3240 -3.3240 -2.2718 -2.2718 -2.1846 -2.1846
-1.8867 -1.8867 -1.4736 -1.4736 -0.5396 -0.5396 -0.1537 -0.1537
0.6106 0.6106 0.9545 0.9545 1.5348 1.5348 1.7873 1.7873
2.7639 2.7639 2.8642 2.8642 3.1417 3.1417 4.2350 4.2350
4.3667 4.3667 7.6389 7.6389 7.6499 7.6499 7.9109 7.9109
k = 0.2155-0.6224 0.4698 ( 3736 PWs) bands (ev):
-14.5333 -14.5333 -14.4351 -14.4351 -10.4025 -10.4025 -10.3729 -10.3729
-3.9821 -3.9821 -3.3470 -3.3470 -2.2522 -2.2522 -2.1687 -2.1687
-1.8661 -1.8661 -1.4494 -1.4494 -0.5434 -0.5434 -0.1508 -0.1508
0.6094 0.6094 0.9673 0.9673 1.5388 1.5388 1.7761 1.7761
2.7666 2.7666 2.8560 2.8560 3.1533 3.1533 4.2147 4.2147
4.3732 4.3732 7.6654 7.6654 7.6797 7.6797 7.9095 7.9095
k = 0.2099-0.6060 0.4698 ( 3736 PWs) bands (ev):
-14.5416 -14.5416 -14.4305 -14.4305 -10.3984 -10.3984 -10.3796 -10.3796
-4.0087 -4.0087 -3.3698 -3.3698 -2.2339 -2.2339 -2.1512 -2.1512
-1.8441 -1.8441 -1.4252 -1.4252 -0.5461 -0.5461 -0.1488 -0.1488
0.6109 0.6109 0.9814 0.9814 1.5405 1.5405 1.7661 1.7661
2.7681 2.7681 2.8498 2.8498 3.1654 3.1654 4.1945 4.1945
4.3809 4.3809 7.6939 7.6939 7.7098 7.7098 7.9115 7.9115
k = 0.2042-0.5896 0.4698 ( 3734 PWs) bands (ev):
-14.5499 -14.5499 -14.4261 -14.4261 -10.3950 -10.3950 -10.3867 -10.3867
-4.0350 -4.0350 -3.3927 -3.3927 -2.2168 -2.2168 -2.1320 -2.1320
-1.8208 -1.8208 -1.4008 -1.4008 -0.5475 -0.5475 -0.1477 -0.1477
0.6152 0.6152 0.9967 0.9967 1.5396 1.5396 1.7576 1.7576
2.7684 2.7684 2.8457 2.8457 3.1776 3.1776 4.1746 4.1746
4.3897 4.3897 7.7244 7.7244 7.7390 7.7390 7.9176 7.9176
k = 0.1985-0.5732 0.4698 ( 3740 PWs) bands (ev):
-14.5583 -14.5583 -14.4219 -14.4219 -10.3943 -10.3943 -10.3922 -10.3922
-4.0608 -4.0608 -3.4154 -3.4154 -2.2010 -2.2010 -2.1112 -2.1112
-1.7966 -1.7966 -1.3765 -1.3765 -0.5477 -0.5477 -0.1475 -0.1475
0.6225 0.6225 1.0132 1.0132 1.5364 1.5364 1.7503 1.7503
2.7673 2.7673 2.8438 2.8438 3.1897 3.1897 4.1553 4.1553
4.3996 4.3996 7.7564 7.7564 7.7665 7.7665 7.9291 7.9291
k = 0.1928-0.5568 0.4698 ( 3742 PWs) bands (ev):
-14.5668 -14.5668 -14.4180 -14.4180 -10.4020 -10.4020 -10.3902 -10.3902
-4.0862 -4.0862 -3.4379 -3.4379 -2.1863 -2.1863 -2.0887 -2.0887
-1.7714 -1.7714 -1.3523 -1.3523 -0.5466 -0.5466 -0.1482 -0.1482
0.6328 0.6328 1.0307 1.0307 1.5308 1.5308 1.7445 1.7445
2.7653 2.7653 2.8440 2.8440 3.2015 3.2015 4.1370 4.1370
4.4106 4.4106 7.7859 7.7859 7.7948 7.7948 7.9470 7.9470
k = 0.1872-0.5405 0.4698 ( 3738 PWs) bands (ev):
-14.5754 -14.5754 -14.4143 -14.4143 -10.4101 -10.4101 -10.3889 -10.3889
-4.1111 -4.1111 -3.4603 -3.4603 -2.1726 -2.1726 -2.0646 -2.0646
-1.7455 -1.7455 -1.3283 -1.3283 -0.5442 -0.5442 -0.1498 -0.1498
0.6463 0.6463 1.0490 1.0490 1.5230 1.5230 1.7400 1.7400
2.7627 2.7627 2.8456 2.8456 3.2128 3.2128 4.1198 4.1198
4.4226 4.4226 7.8066 7.8066 7.8296 7.8296 7.9720 7.9720
k = 0.1815-0.5241 0.4698 ( 3736 PWs) bands (ev):
-14.5840 -14.5840 -14.4108 -14.4108 -10.4184 -10.4184 -10.3881 -10.3881
-4.1355 -4.1355 -3.4824 -3.4824 -2.1601 -2.1601 -2.0389 -2.0389
-1.7192 -1.7192 -1.3045 -1.3045 -0.5406 -0.5406 -0.1522 -0.1522
0.6630 0.6630 1.0679 1.0679 1.5132 1.5132 1.7369 1.7369
2.7600 2.7600 2.8481 2.8481 3.2234 3.2234 4.1040 4.1040
4.4357 4.4357 7.8223 7.8223 7.8674 7.8674 8.0035 8.0035
k = 0.1758-0.5077 0.4698 ( 3740 PWs) bands (ev):
-14.5926 -14.5926 -14.4075 -14.4075 -10.4270 -10.4270 -10.3880 -10.3880
-4.1595 -4.1595 -3.5042 -3.5042 -2.1486 -2.1486 -2.0116 -2.0116
-1.6927 -1.6927 -1.2811 -1.2811 -0.5358 -0.5358 -0.1556 -0.1556
0.6830 0.6830 1.0874 1.0874 1.5013 1.5013 1.7352 1.7352
2.7576 2.7576 2.8512 2.8512 3.2330 3.2330 4.0900 4.0900
4.4496 4.4496 7.8352 7.8352 7.9068 7.9068 8.0401 8.0401
k = 0.1702-0.4913 0.4698 ( 3744 PWs) bands (ev):
-14.6011 -14.6011 -14.4044 -14.4044 -10.4358 -10.4358 -10.3884 -10.3884
-4.1830 -4.1830 -3.5258 -3.5258 -2.1381 -2.1381 -1.9829 -1.9829
-1.6660 -1.6660 -1.2581 -1.2581 -0.5297 -0.5297 -0.1598 -0.1598
0.7063 0.7063 1.1070 1.1070 1.4878 1.4878 1.7350 1.7350
2.7556 2.7556 2.8544 2.8544 3.2416 3.2416 4.0779 4.0779
4.4644 4.4644 7.8463 7.8463 7.9476 7.9476 8.0808 8.0808
k = 0.1645-0.4750 0.4698 ( 3740 PWs) bands (ev):
-14.6097 -14.6097 -14.4016 -14.4016 -10.4447 -10.4447 -10.3894 -10.3894
-4.2060 -4.2060 -3.5470 -3.5470 -2.1285 -2.1285 -1.9527 -1.9527
-1.6393 -1.6393 -1.2355 -1.2355 -0.5224 -0.5224 -0.1649 -0.1649
0.7329 0.7329 1.1267 1.1267 1.4726 1.4726 1.7362 1.7362
2.7542 2.7542 2.8577 2.8577 3.2491 3.2491 4.0681 4.0681
4.4800 4.4800 7.8566 7.8566 7.9895 7.9895 8.1244 8.1244
k = 0.1588-0.4586 0.4698 ( 3730 PWs) bands (ev):
-14.6182 -14.6182 -14.3990 -14.3990 -10.4538 -10.4538 -10.3908 -10.3908
-4.2285 -4.2285 -3.5678 -3.5678 -2.1199 -2.1199 -1.9211 -1.9211
-1.6129 -1.6129 -1.2133 -1.2133 -0.5139 -0.5139 -0.1709 -0.1709
0.7630 0.7630 1.1462 1.1462 1.4562 1.4562 1.7388 1.7388
2.7534 2.7534 2.8607 2.8607 3.2553 3.2553 4.0608 4.0608
4.4961 4.4961 7.8666 7.8666 8.0324 8.0324 8.1702 8.1702
k = 0.1531-0.4422 0.4698 ( 3734 PWs) bands (ev):
-14.6267 -14.6267 -14.3966 -14.3966 -10.4629 -10.4629 -10.3927 -10.3927
-4.2505 -4.2505 -3.5883 -3.5883 -2.1123 -2.1123 -1.8882 -1.8882
-1.5868 -1.5868 -1.1917 -1.1917 -0.5042 -0.5042 -0.1778 -0.1778
0.7963 0.7963 1.1653 1.1653 1.4385 1.4385 1.7428 1.7428
2.7531 2.7531 2.8634 2.8634 3.2601 3.2601 4.0561 4.0561
4.5129 4.5129 7.8765 7.8765 8.0757 8.0757 8.2175 8.2175
k = 0.1475-0.4258 0.4698 ( 3736 PWs) bands (ev):
-14.6350 -14.6350 -14.3944 -14.3944 -10.4721 -10.4721 -10.3951 -10.3951
-4.2719 -4.2719 -3.6083 -3.6083 -2.1056 -2.1056 -1.8541 -1.8541
-1.5612 -1.5612 -1.1707 -1.1707 -0.4933 -0.4933 -0.1855 -0.1855
0.8329 0.8329 1.1838 1.1838 1.4199 1.4199 1.7482 1.7482
2.7533 2.7533 2.8657 2.8657 3.2634 3.2634 4.0543 4.0543
4.5299 4.5299 7.8865 7.8865 8.1189 8.1189 8.2457 8.2457
k = 0.1418-0.4094 0.4698 ( 3730 PWs) bands (ev):
-14.6433 -14.6433 -14.3923 -14.3923 -10.4813 -10.4813 -10.3978 -10.3978
-4.2927 -4.2927 -3.6279 -3.6279 -2.0997 -2.0997 -1.8188 -1.8188
-1.5362 -1.5362 -1.1503 -1.1503 -0.4813 -0.4813 -0.1940 -0.1940
0.8727 0.8727 1.2015 1.2015 1.4006 1.4006 1.7549 1.7549
2.7540 2.7540 2.8675 2.8675 3.2652 3.2652 4.0555 4.0555
4.5473 4.5473 7.8967 7.8967 8.1594 8.1594 8.2280 8.2280
k = 0.1361-0.3931 0.4698 ( 3724 PWs) bands (ev):
-14.6514 -14.6514 -14.3905 -14.3905 -10.4905 -10.4905 -10.4008 -10.4008
-4.3129 -4.3129 -3.6469 -3.6469 -2.0946 -2.0946 -1.7824 -1.7824
-1.5120 -1.5120 -1.1305 -1.1305 -0.4682 -0.4682 -0.2034 -0.2034
0.9156 0.9156 1.2182 1.2182 1.3807 1.3807 1.7629 1.7629
2.7551 2.7551 2.8689 2.8689 3.2655 3.2655 4.0599 4.0599
4.5648 4.5648 7.9070 7.9070 8.1805 8.1805 8.2292 8.2292
k = 0.1305-0.3767 0.4698 ( 3718 PWs) bands (ev):
-14.6593 -14.6593 -14.3888 -14.3888 -10.4996 -10.4996 -10.4041 -10.4041
-4.3326 -4.3326 -3.6655 -3.6655 -2.0903 -2.0903 -1.7451 -1.7451
-1.4887 -1.4887 -1.1114 -1.1114 -0.4541 -0.4541 -0.2137 -0.2137
0.9615 0.9615 1.2339 1.2339 1.3603 1.3603 1.7720 1.7720
2.7565 2.7565 2.8698 2.8698 3.2642 3.2642 4.0674 4.0674
4.5822 4.5822 7.9174 7.9174 8.1683 8.1683 8.2637 8.2637
k = 0.1248-0.3603 0.4698 ( 3714 PWs) bands (ev):
-14.6671 -14.6671 -14.3873 -14.3873 -10.5086 -10.5086 -10.4076 -10.4076
-4.3516 -4.3516 -3.6834 -3.6834 -2.0867 -2.0867 -1.7068 -1.7068
-1.4664 -1.4664 -1.0930 -1.0930 -0.4389 -0.4389 -0.2248 -0.2248
1.0102 1.0102 1.2484 1.2484 1.3397 1.3397 1.7821 1.7821
2.7582 2.7582 2.8703 2.8703 3.2612 3.2612 4.0783 4.0783
4.5995 4.5995 7.9277 7.9277 8.1486 8.1486 8.3053 8.3053
k = 0.1191-0.3439 0.4698 ( 3714 PWs) bands (ev):
-14.6747 -14.6747 -14.3860 -14.3860 -10.5175 -10.5175 -10.4114 -10.4114
-4.3699 -4.3699 -3.7008 -3.7008 -2.0838 -2.0838 -1.6679 -1.6679
-1.4451 -1.4451 -1.0753 -1.0753 -0.4228 -0.4228 -0.2368 -0.2368
1.0615 1.0615 1.2617 1.2617 1.3191 1.3191 1.7930 1.7930
2.7601 2.7601 2.8703 2.8703 3.2565 3.2565 4.0924 4.0924
4.6166 4.6166 7.9379 7.9379 8.1281 8.1281 8.3473 8.3473
k = 0.1134-0.3276 0.4698 ( 3712 PWs) bands (ev):
-14.6821 -14.6821 -14.3848 -14.3848 -10.5263 -10.5263 -10.4153 -10.4153
-4.3876 -4.3876 -3.7176 -3.7176 -2.0815 -2.0815 -1.6282 -1.6282
-1.4251 -1.4251 -1.0584 -1.0584 -0.4057 -0.4057 -0.2497 -0.2497
1.1152 1.1152 1.2738 1.2738 1.2987 1.2987 1.8046 1.8046
2.7620 2.7620 2.8701 2.8701 3.2501 3.2501 4.1096 4.1096
4.6332 4.6332 7.9480 7.9480 8.1076 8.1076 8.3883 8.3883
k = 0.1078-0.3112 0.4698 ( 3718 PWs) bands (ev):
-14.6893 -14.6893 -14.3837 -14.3837 -10.5348 -10.5348 -10.4193 -10.4193
-4.4046 -4.4046 -3.7338 -3.7338 -2.0798 -2.0798 -1.5880 -1.5880
-1.4062 -1.4062 -1.0422 -1.0422 -0.3880 -0.3880 -0.2634 -0.2634
1.1707 1.1707 1.2775 1.2775 1.2860 1.2860 1.8166 1.8166
2.7640 2.7640 2.8696 2.8696 3.2419 3.2419 4.1299 4.1299
4.6493 4.6493 7.9577 7.9577 8.0877 8.0877 8.4275 8.4275
k = 0.1021-0.2948 0.4698 ( 3720 PWs) bands (ev):
-14.6962 -14.6962 -14.3828 -14.3828 -10.5431 -10.5431 -10.4233 -10.4233
-4.4209 -4.4209 -3.7493 -3.7493 -2.0786 -2.0786 -1.5473 -1.5473
-1.3886 -1.3886 -1.0267 -1.0267 -0.3695 -0.3695 -0.2780 -0.2780
1.2261 1.2261 1.2596 1.2596 1.2962 1.2962 1.8288 1.8288
2.7660 2.7660 2.8688 2.8688 3.2321 3.2321 4.1531 4.1531
4.6648 4.6648 7.9669 7.9669 8.0683 8.0683 8.4643 8.4643
k = 0.0964-0.2784 0.4698 ( 3722 PWs) bands (ev):
-14.7029 -14.7029 -14.3820 -14.3820 -10.5512 -10.5512 -10.4275 -10.4275
-4.4365 -4.4365 -3.7641 -3.7641 -2.0778 -2.0778 -1.5063 -1.5063
-1.3723 -1.3723 -1.0120 -1.0120 -0.3506 -0.3506 -0.2933 -0.2933
1.2360 1.2360 1.2836 1.2836 1.3110 1.3110 1.8411 1.8411
2.7679 2.7679 2.8680 2.8680 3.2205 3.2205 4.1790 4.1790
4.6795 4.6795 7.9756 7.9756 8.0496 8.0496 8.4981 8.4981
k = 0.0908-0.2620 0.4698 ( 3726 PWs) bands (ev):
-14.7093 -14.7093 -14.3813 -14.3813 -10.5590 -10.5590 -10.4316 -10.4316
-4.4513 -4.4513 -3.7782 -3.7782 -2.0774 -2.0774 -1.4652 -1.4652
-1.3573 -1.3573 -0.9981 -0.9981 -0.3320 -0.3320 -0.3090 -0.3090
1.2177 1.2177 1.3057 1.3057 1.3569 1.3569 1.8531 1.8531
2.7698 2.7698 2.8672 2.8672 3.2072 3.2072 4.2073 4.2073
4.6935 4.6935 7.9837 7.9837 8.0318 8.0318 8.5283 8.5283
k = 0.0851-0.2457 0.4698 ( 3728 PWs) bands (ev):
-14.7154 -14.7154 -14.3806 -14.3806 -10.5664 -10.5664 -10.4356 -10.4356
-4.4653 -4.4653 -3.7916 -3.7916 -2.0774 -2.0774 -1.4240 -1.4240
-1.3435 -1.3435 -0.9850 -0.9850 -0.3290 -0.3290 -0.3095 -0.3095
1.1994 1.1994 1.3141 1.3141 1.4175 1.4175 1.8648 1.8648
2.7715 2.7715 2.8663 2.8663 3.1921 3.1921 4.2377 4.2377
4.7066 4.7066 7.9911 7.9911 8.0148 8.0148 8.5544 8.5544
k = 0.0794-0.2293 0.4698 ( 3728 PWs) bands (ev):
-14.7211 -14.7211 -14.3801 -14.3801 -10.5735 -10.5735 -10.4396 -10.4396
-4.4786 -4.4786 -3.8042 -3.8042 -2.0776 -2.0776 -1.3829 -1.3829
-1.3309 -1.3309 -0.9726 -0.9726 -0.3462 -0.3462 -0.2907 -0.2907
1.1816 1.1816 1.3204 1.3204 1.4803 1.4803 1.8760 1.8760
2.7730 2.7730 2.8654 2.8654 3.1755 3.1755 4.2699 4.2699
4.7188 4.7188 7.9974 7.9974 7.9989 7.9989 8.5761 8.5761
k = 0.0737-0.2129 0.4698 ( 3724 PWs) bands (ev):
-14.7266 -14.7266 -14.3797 -14.3797 -10.5802 -10.5802 -10.4435 -10.4435
-4.4910 -4.4910 -3.8160 -3.8160 -2.0780 -2.0780 -1.3424 -1.3424
-1.3192 -1.3192 -0.9609 -0.9609 -0.3649 -0.3649 -0.2713 -0.2713
1.1646 1.1646 1.3256 1.3256 1.5439 1.5439 1.8867 1.8867
2.7744 2.7744 2.8647 2.8647 3.1572 3.1572 4.3033 4.3033
4.7301 4.7301 7.9834 7.9834 8.0035 8.0035 8.5928 8.5928
k = 0.0681-0.1965 0.4698 ( 3722 PWs) bands (ev):
-14.7317 -14.7317 -14.3793 -14.3793 -10.5865 -10.5865 -10.4472 -10.4472
-4.5025 -4.5025 -3.8271 -3.8271 -2.0786 -2.0786 -1.3115 -1.3115
-1.2995 -1.2995 -0.9500 -0.9500 -0.3846 -0.3846 -0.2522 -0.2522
1.1485 1.1485 1.3300 1.3300 1.6077 1.6077 1.8967 1.8967
2.7755 2.7755 2.8639 2.8639 3.1375 3.1375 4.3376 4.3376
4.7404 4.7404 7.9693 7.9693 8.0085 8.0085 8.6047 8.6047
k = 0.0624-0.1802 0.4698 ( 3724 PWs) bands (ev):
-14.7364 -14.7364 -14.3790 -14.3790 -10.5924 -10.5924 -10.4507 -10.4507
-4.5133 -4.5133 -3.8373 -3.8373 -2.0794 -2.0794 -1.3012 -1.3012
-1.2608 -1.2608 -0.9398 -0.9398 -0.4051 -0.4051 -0.2335 -0.2335
1.1333 1.1333 1.3337 1.3337 1.6712 1.6712 1.9060 1.9060
2.7764 2.7764 2.8630 2.8630 3.1165 3.1165 4.3723 4.3723
4.7497 4.7497 7.9561 7.9561 8.0127 8.0127 8.6117 8.6117
k = 0.0567-0.1638 0.4698 ( 3722 PWs) bands (ev):
-14.7408 -14.7408 -14.3787 -14.3787 -10.5979 -10.5979 -10.4540 -10.4540
-4.5231 -4.5231 -3.8467 -3.8467 -2.0802 -2.0802 -1.2931 -1.2931
-1.2219 -1.2219 -0.9303 -0.9303 -0.4263 -0.4263 -0.2156 -0.2156
1.1192 1.1192 1.3369 1.3369 1.7337 1.7337 1.9146 1.9146
2.7770 2.7770 2.8621 2.8621 3.0944 3.0944 4.4067 4.4067
4.7580 4.7580 7.9440 7.9440 8.0161 8.0161 8.6144 8.6144
k = 0.0510-0.1474 0.4698 ( 3714 PWs) bands (ev):
-14.7448 -14.7448 -14.3785 -14.3785 -10.6029 -10.6029 -10.4571 -10.4571
-4.5321 -4.5321 -3.8552 -3.8552 -2.0811 -2.0811 -1.2860 -1.2860
-1.1840 -1.1840 -0.9213 -0.9213 -0.4480 -0.4480 -0.1986 -0.1986
1.1062 1.1062 1.3396 1.3396 1.7946 1.7946 1.9228 1.9228
2.7773 2.7773 2.8610 2.8610 3.0717 3.0717 4.4403 4.4403
4.7655 4.7655 7.9330 7.9330 8.0187 8.0187 8.6131 8.6131
k = 0.0454-0.1310 0.4698 ( 3722 PWs) bands (ev):
-14.7484 -14.7484 -14.3784 -14.3784 -10.6074 -10.6074 -10.4599 -10.4599
-4.5401 -4.5401 -3.8629 -3.8629 -2.0820 -2.0820 -1.2799 -1.2799
-1.1475 -1.1475 -0.9130 -0.9130 -0.4701 -0.4701 -0.1828 -0.1828
1.0943 1.0943 1.3418 1.3418 1.8523 1.8523 1.9313 1.9313
2.7772 2.7772 2.8596 2.8596 3.0486 3.0486 4.4726 4.4726
4.7719 4.7719 7.9230 7.9230 8.0207 8.0207 8.6086 8.6086
k = 0.0397-0.1146 0.4698 ( 3712 PWs) bands (ev):
-14.7516 -14.7516 -14.3782 -14.3782 -10.6114 -10.6114 -10.4625 -10.4625
-4.5473 -4.5473 -3.8697 -3.8697 -2.0828 -2.0828 -1.2747 -1.2747
-1.1129 -1.1129 -0.9050 -0.9050 -0.4924 -0.4924 -0.1683 -0.1683
1.0837 1.0837 1.3436 1.3436 1.9019 1.9019 1.9444 1.9444
2.7766 2.7766 2.8579 2.8579 3.0259 3.0259 4.5030 4.5030
4.7776 4.7776 7.9142 7.9142 8.0221 8.0221 8.6019 8.6019
k = 0.0340-0.0983 0.4698 ( 3710 PWs) bands (ev):
-14.7543 -14.7543 -14.3781 -14.3781 -10.6150 -10.6150 -10.4647 -10.4647
-4.5535 -4.5535 -3.8756 -3.8756 -2.0836 -2.0836 -1.2703 -1.2703
-1.0806 -1.0806 -0.8974 -0.8974 -0.5145 -0.5145 -0.1554 -0.1554
1.0743 1.0743 1.3452 1.3452 1.9272 1.9272 1.9775 1.9775
2.7754 2.7754 2.8555 2.8555 3.0042 3.0042 4.5307 4.5307
4.7824 4.7824 7.9065 7.9065 8.0230 8.0230 8.5937 8.5937
k = 0.0284-0.0819 0.4698 ( 3710 PWs) bands (ev):
-14.7567 -14.7567 -14.3780 -14.3780 -10.6180 -10.6180 -10.4666 -10.4666
-4.5587 -4.5587 -3.8806 -3.8806 -2.0843 -2.0843 -1.2666 -1.2666
-1.0515 -1.0515 -0.8899 -0.8899 -0.5360 -0.5360 -0.1442 -0.1442
1.0664 1.0664 1.3464 1.3464 1.9357 1.9357 2.0220 2.0220
2.7734 2.7734 2.8525 2.8525 2.9846 2.9846 4.5553 4.5553
4.7863 4.7863 7.9000 7.9000 8.0235 8.0235 8.5850 8.5850
k = 0.0227-0.0655 0.4698 ( 3710 PWs) bands (ev):
-14.7587 -14.7587 -14.3780 -14.3780 -10.6204 -10.6204 -10.4682 -10.4682
-4.5631 -4.5631 -3.8848 -3.8848 -2.0850 -2.0850 -1.2637 -1.2637
-1.0263 -1.0263 -0.8825 -0.8825 -0.5561 -0.5561 -0.1348 -0.1348
1.0597 1.0597 1.3474 1.3474 1.9404 1.9404 2.0639 2.0639
2.7707 2.7707 2.8490 2.8490 2.9680 2.9680 4.5762 4.5762
4.7895 4.7895 7.8946 7.8946 8.0238 8.0238 8.5765 8.5765
k = 0.0170-0.0491 0.4698 ( 3722 PWs) bands (ev):
-14.7602 -14.7602 -14.3779 -14.3779 -10.6224 -10.6224 -10.4695 -10.4695
-4.5665 -4.5665 -3.8880 -3.8880 -2.0855 -2.0855 -1.2615 -1.2615
-1.0059 -1.0059 -0.8753 -0.8753 -0.5740 -0.5740 -0.1274 -0.1274
1.0545 1.0545 1.3480 1.3480 1.9435 1.9435 2.0994 2.0994
2.7674 2.7674 2.8452 2.8452 2.9549 2.9549 4.5930 4.5930
4.7919 4.7919 7.8904 7.8904 8.0238 8.0238 8.5691 8.5691
k = 0.0113-0.0328 0.4698 ( 3726 PWs) bands (ev):
-14.7613 -14.7613 -14.3779 -14.3779 -10.6237 -10.6237 -10.4704 -10.4704
-4.5689 -4.5689 -3.8903 -3.8903 -2.0859 -2.0859 -1.2599 -1.2599
-0.9911 -0.9911 -0.8688 -0.8688 -0.5884 -0.5884 -0.1220 -0.1220
1.0508 1.0508 1.3486 1.3486 1.9455 1.9455 2.1265 2.1265
2.7640 2.7640 2.8419 2.8419 2.9458 2.9458 4.6052 4.6052
4.7937 4.7937 7.8874 7.8874 8.0238 8.0238 8.5634 8.5634
k = 0.0057-0.0164 0.4698 ( 3724 PWs) bands (ev):
-14.7619 -14.7619 -14.3779 -14.3779 -10.6246 -10.6246 -10.4709 -10.4709
-4.5703 -4.5703 -3.8917 -3.8917 -2.0861 -2.0861 -1.2590 -1.2590
-0.9821 -0.9821 -0.8641 -0.8641 -0.5978 -0.5978 -0.1188 -0.1188
1.0486 1.0486 1.3489 1.3489 1.9467 1.9467 2.1436 2.1436
2.7614 2.7614 2.8396 2.8396 2.9405 2.9405 4.6127 4.6127
4.7947 4.7947 7.8856 7.8856 8.0238 8.0238 8.5597 8.5597
k = 0.0000 0.0000 0.4698 ( 3728 PWs) bands (ev):
-14.7622 -14.7622 -14.3779 -14.3779 -10.6249 -10.6249 -10.4711 -10.4711
-4.5708 -4.5708 -3.8921 -3.8921 -2.0862 -2.0862 -1.2587 -1.2587
-0.9791 -0.9791 -0.8624 -0.8624 -0.6012 -0.6012 -0.1177 -0.1177
1.0478 1.0478 1.3490 1.3490 1.9471 1.9471 2.1494 2.1494
2.7604 2.7604 2.8388 2.8388 2.9388 2.9388 4.6152 4.6152
4.7950 4.7950 7.8850 7.8850 8.0238 8.0238 8.5585 8.5585
k = 0.0000 0.0000 0.4698 ( 3728 PWs) bands (ev):
-14.7622 -14.7622 -14.3779 -14.3779 -10.6249 -10.6249 -10.4711 -10.4711
-4.5708 -4.5708 -3.8921 -3.8921 -2.0862 -2.0862 -1.2587 -1.2587
-0.9791 -0.9791 -0.8624 -0.8624 -0.6012 -0.6012 -0.1177 -0.1177
1.0478 1.0478 1.3490 1.3490 1.9471 1.9471 2.1494 2.1494
2.7604 2.7604 2.8388 2.8388 2.9388 2.9388 4.6152 4.6152
4.7950 4.7950 7.8850 7.8850 8.0238 8.0238 8.5585 8.5585
k = 0.0165 0.0057 0.4698 ( 3723 PWs) bands (ev):
-14.7620 -14.7620 -14.3779 -14.3779 -10.6259 -10.6259 -10.4708 -10.4708
-4.5688 -4.5688 -3.8906 -3.8906 -2.0868 -2.0868 -1.2602 -1.2602
-0.9805 -0.9805 -0.8625 -0.8625 -0.6017 -0.6017 -0.1188 -0.1188
1.0474 1.0474 1.3506 1.3506 1.9460 1.9460 2.1484 2.1484
2.7625 2.7625 2.8407 2.8407 2.9399 2.9399 4.6148 4.6148
4.7939 4.7939 7.8770 7.8770 8.0327 8.0327 8.5595 8.5595
k = 0.0329 0.0114 0.4698 ( 3721 PWs) bands (ev):
-14.7616 -14.7616 -14.3778 -14.3778 -10.6292 -10.6292 -10.4699 -10.4699
-4.5627 -4.5627 -3.8861 -3.8861 -2.0889 -2.0889 -1.2648 -1.2648
-0.9849 -0.9849 -0.8630 -0.8630 -0.6031 -0.6031 -0.1221 -0.1221
1.0461 1.0461 1.3555 1.3555 1.9429 1.9429 2.1456 2.1456
2.7685 2.7685 2.8463 2.8463 2.9432 2.9432 4.6136 4.6136
4.7903 4.7903 7.8576 7.8576 8.0548 8.0548 8.5627 8.5627
k = 0.0494 0.0171 0.4698 ( 3717 PWs) bands (ev):
-14.7609 -14.7609 -14.3776 -14.3776 -10.6344 -10.6344 -10.4684 -10.4684
-4.5527 -4.5527 -3.8787 -3.8787 -2.0923 -2.0923 -1.2723 -1.2723
-0.9925 -0.9925 -0.8638 -0.8638 -0.6052 -0.6052 -0.1274 -0.1274
1.0438 1.0438 1.3634 1.3634 1.9382 1.9382 2.1412 2.1412
2.7779 2.7779 2.8552 2.8552 2.9492 2.9492 4.6115 4.6115
4.7844 4.7844 7.8338 7.8338 8.0832 8.0832 8.5680 8.5680
k = 0.0658 0.0228 0.4698 ( 3717 PWs) bands (ev):
-14.7600 -14.7600 -14.3773 -14.3773 -10.6415 -10.6415 -10.4666 -10.4666
-4.5387 -4.5387 -3.8683 -3.8683 -2.0972 -2.0972 -1.2826 -1.2826
-1.0035 -1.0035 -0.8649 -0.8649 -0.6075 -0.6075 -0.1347 -0.1347
1.0404 1.0404 1.3741 1.3741 1.9325 1.9325 2.1358 2.1358
2.7894 2.7894 2.8671 2.8671 2.9581 2.9581 4.6086 4.6086
4.7762 4.7762 7.8093 7.8093 8.1141 8.1141 8.5757 8.5757
k = 0.0823 0.0285 0.4698 ( 3719 PWs) bands (ev):
-14.7588 -14.7588 -14.3770 -14.3770 -10.6501 -10.6501 -10.4647 -10.4647
-4.5207 -4.5207 -3.8550 -3.8550 -2.1035 -2.1035 -1.2958 -1.2958
-1.0181 -1.0181 -0.8663 -0.8663 -0.6099 -0.6099 -0.1438 -0.1438
1.0354 1.0354 1.3873 1.3873 1.9266 1.9266 2.1299 2.1299
2.8017 2.8017 2.8819 2.8819 2.9704 2.9704 4.6050 4.6050
4.7655 4.7655 7.7864 7.7864 8.1457 8.1457 8.5856 8.5856
k = 0.0987 0.0342 0.4698 ( 3712 PWs) bands (ev):
-14.7574 -14.7574 -14.3767 -14.3767 -10.6601 -10.6601 -10.4627 -10.4627
-4.4990 -4.4990 -3.8389 -3.8389 -2.1115 -2.1115 -1.3118 -1.3118
-1.0361 -1.0361 -0.8679 -0.8679 -0.6118 -0.6118 -0.1545 -0.1545
1.0288 1.0288 1.4025 1.4025 1.9213 1.9213 2.1242 2.1242
2.8134 2.8134 2.8995 2.8995 2.9862 2.9862 4.6008 4.6008
4.7526 4.7526 7.7659 7.7659 8.1768 8.1768 8.5977 8.5977
k = 0.1152 0.0399 0.4698 ( 3711 PWs) bands (ev):
-14.7558 -14.7558 -14.3762 -14.3762 -10.6712 -10.6712 -10.4608 -10.4608
-4.4734 -4.4734 -3.8200 -3.8200 -2.1211 -2.1211 -1.3309 -1.3309
-1.0571 -1.0571 -0.8699 -0.8699 -0.6132 -0.6132 -0.1665 -0.1665
1.0203 1.0203 1.4192 1.4192 1.9174 1.9174 2.1194 2.1194
2.8233 2.8233 2.9199 2.9199 3.0053 3.0053 4.5961 4.5961
4.7374 4.7374 7.7488 7.7488 8.2072 8.2072 8.6121 8.6121
k = 0.1316 0.0456 0.4698 ( 3716 PWs) bands (ev):
-14.7539 -14.7539 -14.3758 -14.3758 -10.6833 -10.6833 -10.4590 -10.4590
-4.4442 -4.4442 -3.7985 -3.7985 -2.1325 -2.1325 -1.3536 -1.3536
-1.0802 -1.0802 -0.8721 -0.8721 -0.6141 -0.6141 -0.1798 -0.1798
1.0096 1.0096 1.4368 1.4368 1.9156 1.9156 2.1161 2.1161
2.8309 2.8309 2.9426 2.9426 3.0272 3.0272 4.5909 4.5909
4.7198 4.7198 7.7355 7.7355 8.2366 8.2366 8.6283 8.6283
k = 0.1481 0.0513 0.4698 ( 3714 PWs) bands (ev):
-14.7519 -14.7519 -14.3752 -14.3752 -10.6961 -10.6961 -10.4575 -10.4575
-4.4114 -4.4114 -3.7743 -3.7743 -2.1457 -2.1457 -1.3803 -1.3803
-1.1044 -1.1044 -0.8745 -0.8745 -0.6146 -0.6146 -0.1939 -0.1939
0.9969 0.9969 1.4547 1.4547 1.9165 1.9165 2.1151 2.1151
2.8366 2.8366 2.9671 2.9671 3.0510 3.0510 4.5854 4.5854
4.7002 4.7002 7.7263 7.7263 8.2652 8.2652 8.6463 8.6463
k = 0.1645 0.0570 0.4698 ( 3721 PWs) bands (ev):
-14.7497 -14.7497 -14.3747 -14.3747 -10.7095 -10.7095 -10.4563 -10.4563
-4.3752 -4.3752 -3.7477 -3.7477 -2.1608 -2.1608 -1.4118 -1.4118
-1.1283 -1.1283 -0.8771 -0.8771 -0.6149 -0.6149 -0.2087 -0.2087
0.9820 0.9820 1.4721 1.4721 1.9205 1.9205 2.1171 2.1171
2.8405 2.8405 2.9923 2.9923 3.0761 3.0761 4.5798 4.5798
4.6784 4.6784 7.7214 7.7214 8.2931 8.2931 8.6654 8.6654
k = 0.1810 0.0627 0.4698 ( 3721 PWs) bands (ev):
-14.7473 -14.7473 -14.3741 -14.3741 -10.7234 -10.7234 -10.4554 -10.4554
-4.3356 -4.3356 -3.7188 -3.7188 -2.1778 -2.1778 -1.4486 -1.4486
-1.1509 -1.1509 -0.8799 -0.8799 -0.6152 -0.6152 -0.2240 -0.2240
0.9651 0.9651 1.4886 1.4886 1.9279 1.9279 2.1226 2.1226
2.8431 2.8431 3.0177 3.0177 3.1018 3.1018 4.5742 4.5742
4.6547 4.6547 7.7211 7.7211 8.3205 8.3205 8.6856 8.6856
k = 0.1974 0.0684 0.4698 ( 3725 PWs) bands (ev):
-14.7449 -14.7449 -14.3734 -14.3734 -10.7375 -10.7375 -10.4548 -10.4548
-4.2929 -4.2929 -3.6877 -3.6877 -2.1969 -2.1969 -1.4909 -1.4909
-1.1712 -1.1712 -0.8828 -0.8828 -0.6158 -0.6158 -0.2396 -0.2396
0.9464 0.9464 1.5036 1.5036 1.9389 1.9389 2.1321 2.1321
2.8448 2.8448 3.0424 3.0424 3.1272 3.1272 4.5689 4.5689
4.6292 4.6292 7.7252 7.7252 8.3477 8.3477 8.7062 8.7062
k = 0.2139 0.0741 0.4698 ( 3726 PWs) bands (ev):
-14.7423 -14.7423 -14.3728 -14.3728 -10.7517 -10.7517 -10.4545 -10.4545
-4.2471 -4.2471 -3.6546 -3.6546 -2.2180 -2.2180 -1.5385 -1.5385
-1.1890 -1.1890 -0.8859 -0.8859 -0.6167 -0.6167 -0.2553 -0.2553
0.9263 0.9263 1.5165 1.5165 1.9536 1.9536 2.1459 2.1459
2.8458 2.8458 3.0658 3.0658 3.1519 3.1519 4.5638 4.5638
4.6023 4.6023 7.7338 7.7338 8.3750 8.3750 8.7272 8.7272
k = 0.2303 0.0798 0.4698 ( 3727 PWs) bands (ev):
-14.7397 -14.7397 -14.3721 -14.3721 -10.7660 -10.7660 -10.4545 -10.4545
-4.1985 -4.1985 -3.6197 -3.6197 -2.2411 -2.2411 -1.5910 -1.5910
-1.2041 -1.2041 -0.8890 -0.8890 -0.6181 -0.6181 -0.2708 -0.2708
0.9051 0.9051 1.5271 1.5271 1.9719 1.9719 2.1642 2.1642
2.8462 2.8462 3.0874 3.0874 3.1751 3.1751 4.5582 4.5582
4.5752 4.5752 7.7467 7.7467 8.4025 8.4025 8.7482 8.7482
k = 0.2468 0.0855 0.4698 ( 3727 PWs) bands (ev):
-14.7371 -14.7371 -14.3714 -14.3714 -10.7801 -10.7801 -10.4546 -10.4546
-4.1472 -4.1472 -3.5831 -3.5831 -2.2663 -2.2663 -1.6476 -1.6476
-1.2170 -1.2170 -0.8922 -0.8922 -0.6199 -0.6199 -0.2861 -0.2861
0.8832 0.8832 1.5354 1.5354 1.9937 1.9937 2.1868 2.1868
2.8462 2.8462 3.1068 3.1068 3.1964 3.1964 4.5407 4.5407
4.5596 4.5596 7.7636 7.7636 8.4303 8.4303 8.7690 8.7690
k = 0.2632 0.0912 0.4698 ( 3735 PWs) bands (ev):
-14.7344 -14.7344 -14.3707 -14.3707 -10.7941 -10.7941 -10.4551 -10.4551
-4.0934 -4.0934 -3.5451 -3.5451 -2.2936 -2.2936 -1.7076 -1.7076
-1.2281 -1.2281 -0.8955 -0.8955 -0.6220 -0.6220 -0.3010 -0.3010
0.8609 0.8609 1.5414 1.5414 2.0188 2.0188 2.2136 2.2136
2.8458 2.8458 3.1237 3.1237 3.2152 3.2152 4.5111 4.5111
4.5561 4.5561 7.7842 7.7842 8.4584 8.4584 8.7873 8.7873
k = 0.2797 0.0969 0.4698 ( 3738 PWs) bands (ev):
-14.7318 -14.7318 -14.3699 -14.3699 -10.8076 -10.8076 -10.4556 -10.4556
-4.0373 -4.0373 -3.5060 -3.5060 -2.3228 -2.3228 -1.7701 -1.7701
-1.2379 -1.2379 -0.8987 -0.8987 -0.6242 -0.6242 -0.3153 -0.3153
0.8387 0.8387 1.5454 1.5454 2.0470 2.0470 2.2441 2.2441
2.8451 2.8451 3.1376 3.1376 3.2311 3.2311 4.4800 4.4800
4.5547 4.5547 7.8081 7.8081 8.4868 8.4868 8.7239 8.7239
k = 0.2961 0.1026 0.4698 ( 3739 PWs) bands (ev):
-14.7293 -14.7293 -14.3692 -14.3692 -10.8207 -10.8207 -10.4563 -10.4563
-3.9791 -3.9791 -3.4659 -3.4659 -2.3539 -2.3539 -1.8343 -1.8343
-1.2468 -1.2468 -0.9019 -0.9019 -0.6264 -0.6264 -0.3290 -0.3290
0.8169 0.8169 1.5476 1.5476 2.0780 2.0780 2.2779 2.2779
2.8441 2.8441 3.1485 3.1485 3.2436 3.2436 4.4484 4.4484
4.5549 4.5549 7.8349 7.8349 8.5152 8.5152 8.6532 8.6532
k = 0.3126 0.1083 0.4698 ( 3746 PWs) bands (ev):
-14.7268 -14.7268 -14.3685 -14.3685 -10.8332 -10.8332 -10.4570 -10.4570
-3.9191 -3.9191 -3.4254 -3.4254 -2.3871 -2.3871 -1.8995 -1.8995
-1.2554 -1.2554 -0.9051 -0.9051 -0.6282 -0.6282 -0.3419 -0.3419
0.7958 0.7958 1.5484 1.5484 2.1118 2.1118 2.3142 2.3142
2.8429 2.8429 3.1560 3.1560 3.2524 3.2524 4.4168 4.4168
4.5564 4.5564 7.8639 7.8639 8.5429 8.5429 8.5852 8.5852
k = 0.3290 0.1139 0.4698 ( 3748 PWs) bands (ev):
-14.7244 -14.7244 -14.3678 -14.3678 -10.8450 -10.8450 -10.4578 -10.4578
-3.8577 -3.8577 -3.3847 -3.3847 -2.4220 -2.4220 -1.9648 -1.9648
-1.2641 -1.2641 -0.9082 -0.9082 -0.6294 -0.6294 -0.3540 -0.3540
0.7758 0.7758 1.5481 1.5481 2.1479 2.1479 2.3526 2.3526
2.8414 2.8414 3.1602 3.1602 3.2575 3.2575 4.3856 4.3856
4.5590 4.5590 7.8946 7.8946 8.5177 8.5177 8.5726 8.5726
k = 0.3455 0.1196 0.4698 ( 3751 PWs) bands (ev):
-14.7223 -14.7223 -14.3671 -14.3671 -10.8561 -10.8561 -10.4586 -10.4586
-3.7950 -3.7950 -3.3442 -3.3442 -2.4589 -2.4589 -2.0294 -2.0294
-1.2733 -1.2733 -0.9112 -0.9112 -0.6296 -0.6296 -0.3651 -0.3651
0.7572 0.7572 1.5470 1.5470 2.1862 2.1862 2.3922 2.3922
2.8396 2.8396 3.1611 3.1611 3.2586 3.2586 4.3550 4.3550
4.5628 4.5628 7.9265 7.9265 8.4563 8.4563 8.5989 8.5989
k = 0.3619 0.1253 0.4698 ( 3749 PWs) bands (ev):
-14.7202 -14.7202 -14.3664 -14.3664 -10.8664 -10.8664 -10.4593 -10.4593
-3.7316 -3.7316 -3.3046 -3.3046 -2.4975 -2.4975 -2.0923 -2.0923
-1.2832 -1.2832 -0.9141 -0.9141 -0.6285 -0.6285 -0.3752 -0.3752
0.7401 0.7401 1.5454 1.5454 2.2265 2.2265 2.4326 2.4326
2.8375 2.8375 3.1586 3.1586 3.2559 3.2559 4.3256 4.3256
4.5673 4.5673 7.9588 7.9588 8.3991 8.3991 8.6237 8.6237
k = 0.3784 0.1310 0.4698 ( 3745 PWs) bands (ev):
-14.7184 -14.7184 -14.3657 -14.3657 -10.8757 -10.8757 -10.4599 -10.4599
-3.6679 -3.6679 -3.2664 -3.2664 -2.5378 -2.5378 -2.1525 -2.1525
-1.2942 -1.2942 -0.9168 -0.9168 -0.6259 -0.6259 -0.3842 -0.3842
0.7249 0.7249 1.5436 1.5436 2.2683 2.2683 2.4728 2.4728
2.8349 2.8349 3.1530 3.1530 3.2496 3.2496 4.2976 4.2976
4.5721 4.5721 7.9910 7.9910 8.3468 8.3468 8.6459 8.6459
k = 0.3948 0.1367 0.4698 ( 3750 PWs) bands (ev):
-14.7169 -14.7169 -14.3651 -14.3651 -10.8841 -10.8841 -10.4604 -10.4604
-3.6047 -3.6047 -3.2303 -3.2303 -2.5797 -2.5797 -2.2086 -2.2086
-1.3063 -1.3063 -0.9193 -0.9193 -0.6216 -0.6216 -0.3922 -0.3922
0.7118 0.7118 1.5416 1.5416 2.3115 2.3115 2.5122 2.5122
2.8317 2.8317 3.1444 3.1444 3.2401 3.2401 4.2711 4.2711
4.5770 4.5770 8.0224 8.0224 8.3002 8.3002 8.6643 8.6643
k = 0.4113 0.1424 0.4698 ( 3753 PWs) bands (ev):
-14.7156 -14.7156 -14.3645 -14.3645 -10.8914 -10.8914 -10.4608 -10.4608
-3.5429 -3.5429 -3.1974 -3.1974 -2.6225 -2.6225 -2.2594 -2.2594
-1.3197 -1.3197 -0.9216 -0.9216 -0.6155 -0.6155 -0.3989 -0.3989
0.7010 0.7010 1.5397 1.5397 2.3556 2.3556 2.5499 2.5499
2.8278 2.8278 3.1334 3.1334 3.2281 3.2281 4.2467 4.2467
4.5814 4.5814 8.0524 8.0524 8.2598 8.2598 8.6775 8.6775
k = 0.5000 0.1732-0.1607 ( 3738 PWs) bands (ev):
-14.7250 -14.7250 -14.3523 -14.3523 -10.8040 -10.8040 -10.5681 -10.5681
-3.3861 -3.3861 -3.1750 -3.1750 -2.6004 -2.6004 -2.4254 -2.4254
-1.5819 -1.5819 -0.9934 -0.9934 -0.3346 -0.3346 -0.0691 -0.0691
0.4471 0.4471 1.5311 1.5311 2.5570 2.5570 2.6419 2.6419
2.6849 2.6849 2.9573 2.9573 3.1253 3.1253 4.2715 4.2715
4.6604 4.6604 8.1112 8.1112 8.1216 8.1216 8.5119 8.5119
k = 0.5057 0.1566-0.1607 ( 3740 PWs) bands (ev):
-14.7248 -14.7248 -14.3523 -14.3523 -10.8036 -10.8036 -10.5679 -10.5679
-3.3856 -3.3856 -3.1752 -3.1752 -2.6004 -2.6004 -2.4253 -2.4253
-1.5816 -1.5816 -0.9950 -0.9950 -0.3360 -0.3360 -0.0694 -0.0694
0.4478 0.4478 1.5297 1.5297 2.5585 2.5585 2.6414 2.6414
2.6843 2.6843 2.9480 2.9480 3.1332 3.1332 4.2717 4.2717
4.6572 4.6572 8.1005 8.1005 8.1301 8.1301 8.5129 8.5129
k = 0.5114 0.1401-0.1607 ( 3736 PWs) bands (ev):
-14.7242 -14.7242 -14.3524 -14.3524 -10.8025 -10.8025 -10.5671 -10.5671
-3.3841 -3.3841 -3.1756 -3.1756 -2.6002 -2.6002 -2.4250 -2.4250
-1.5807 -1.5807 -0.9997 -0.9997 -0.3402 -0.3402 -0.0702 -0.0702
0.4500 0.4500 1.5256 1.5256 2.5629 2.5629 2.6398 2.6398
2.6826 2.6826 2.9242 2.9242 3.1530 3.1530 4.2721 4.2721
4.6476 4.6476 8.0837 8.0837 8.1407 8.1407 8.5157 8.5157
k = 0.5172 0.1236-0.1607 ( 3732 PWs) bands (ev):
-14.7232 -14.7232 -14.3526 -14.3526 -10.8006 -10.8006 -10.5659 -10.5659
-3.3817 -3.3817 -3.1764 -3.1764 -2.6000 -2.6000 -2.4244 -2.4244
-1.5793 -1.5793 -1.0074 -1.0074 -0.3472 -0.3472 -0.0717 -0.0717
0.4536 0.4536 1.5189 1.5189 2.5698 2.5698 2.6366 2.6366
2.6797 2.6797 2.8933 2.8933 3.1780 3.1780 4.2727 4.2727
4.6319 4.6319 8.0643 8.0643 8.1500 8.1500 8.5191 8.5191
k = 0.5229 0.1071-0.1607 ( 3726 PWs) bands (ev):
-14.7217 -14.7217 -14.3528 -14.3528 -10.7980 -10.7980 -10.5641 -10.5641
-3.3782 -3.3782 -3.1776 -3.1776 -2.5998 -2.5998 -2.4236 -2.4236
-1.5772 -1.5772 -1.0181 -1.0181 -0.3569 -0.3569 -0.0739 -0.0739
0.4587 0.4587 1.5097 1.5097 2.5784 2.5784 2.6309 2.6309
2.6758 2.6758 2.8605 2.8605 3.2045 3.2045 4.2735 4.2735
4.6103 4.6103 8.0424 8.0424 8.1582 8.1582 8.5214 8.5214
k = 0.5286 0.0906-0.1607 ( 3730 PWs) bands (ev):
-14.7198 -14.7198 -14.3532 -14.3532 -10.7947 -10.7947 -10.5619 -10.5619
-3.3739 -3.3739 -3.1790 -3.1790 -2.5996 -2.5996 -2.4225 -2.4225
-1.5745 -1.5745 -1.0316 -1.0316 -0.3692 -0.3692 -0.0768 -0.0768
0.4651 0.4651 1.4982 1.4982 2.5861 2.5861 2.6230 2.6230
2.6717 2.6717 2.8294 2.8294 3.2304 3.2304 4.2744 4.2744
4.5835 4.5835 8.0182 8.0182 8.1654 8.1654 8.5206 8.5206
k = 0.5343 0.0741-0.1607 ( 3732 PWs) bands (ev):
-14.7176 -14.7176 -14.3536 -14.3536 -10.7906 -10.7906 -10.5592 -10.5592
-3.3686 -3.3686 -3.1808 -3.1808 -2.5996 -2.5996 -2.4210 -2.4210
-1.5713 -1.5713 -1.0478 -1.0478 -0.3840 -0.3840 -0.0805 -0.0805
0.4730 0.4730 1.4847 1.4847 2.5813 2.5813 2.6208 2.6208
2.6684 2.6684 2.8030 2.8030 3.2550 3.2550 4.2754 4.2754
4.5519 4.5519 7.9919 7.9919 8.1720 8.1720 8.5151 8.5151
k = 0.5400 0.0576-0.1607 ( 3740 PWs) bands (ev):
-14.7149 -14.7149 -14.3541 -14.3541 -10.7859 -10.7859 -10.5561 -10.5561
-3.3624 -3.3624 -3.1829 -3.1829 -2.5997 -2.5997 -2.4192 -2.4192
-1.5676 -1.5676 -1.0664 -1.0664 -0.4012 -0.4012 -0.0852 -0.0852
0.4822 0.4822 1.4693 1.4693 2.5562 2.5562 2.6302 2.6302
2.6669 2.6669 2.7829 2.7829 3.2776 3.2776 4.2763 4.2763
4.5163 4.5163 7.9638 7.9638 8.1780 8.1780 8.5041 8.5041
k = 0.5457 0.0411-0.1607 ( 3744 PWs) bands (ev):
-14.7118 -14.7118 -14.3547 -14.3547 -10.7805 -10.7805 -10.5524 -10.5524
-3.3554 -3.3554 -3.1853 -3.1853 -2.6000 -2.6000 -2.4168 -2.4168
-1.5633 -1.5633 -1.0873 -1.0873 -0.4206 -0.4206 -0.0910 -0.0910
0.4927 0.4927 1.4523 1.4523 2.5188 2.5188 2.6416 2.6416
2.6693 2.6693 2.7688 2.7688 3.2982 3.2982 4.2771 4.2771
4.4775 4.4775 7.9342 7.9342 8.1836 8.1836 8.4881 8.4881
k = 0.5515 0.0246-0.1607 ( 3748 PWs) bands (ev):
-14.7084 -14.7084 -14.3553 -14.3553 -10.7744 -10.7744 -10.5484 -10.5484
-3.3476 -3.3476 -3.1880 -3.1880 -2.6008 -2.6008 -2.4139 -2.4139
-1.5585 -1.5585 -1.1101 -1.1101 -0.4420 -0.4420 -0.0978 -0.0978
0.5045 0.5045 1.4339 1.4339 2.4738 2.4738 2.6482 2.6482
2.6787 2.6787 2.7594 2.7594 3.3165 3.3165 4.2778 4.2778
4.4362 4.4362 7.9034 7.9034 8.1890 8.1890 8.4677 8.4677
k = 0.5572 0.0081-0.1607 ( 3752 PWs) bands (ev):
-14.7046 -14.7046 -14.3561 -14.3561 -10.7677 -10.7677 -10.5439 -10.5439
-3.3392 -3.3392 -3.1908 -3.1908 -2.6020 -2.6020 -2.4104 -2.4104
-1.5533 -1.5533 -1.1347 -1.1347 -0.4652 -0.4652 -0.1059 -0.1059
0.5176 0.5176 1.4145 1.4145 2.4238 2.4238 2.6500 2.6500
2.6937 2.6937 2.7536 2.7536 3.3325 3.3325 4.2782 4.2782
4.3932 4.3932 7.8718 7.8718 8.1941 8.1941 8.4441 8.4441
k = 0.5629-0.0084-0.1607 ( 3752 PWs) bands (ev):
-14.7004 -14.7004 -14.3570 -14.3570 -10.7604 -10.7604 -10.5390 -10.5390
-3.3303 -3.3303 -3.1937 -3.1937 -2.6038 -2.6038 -2.4062 -2.4062
-1.5477 -1.5477 -1.1608 -1.1608 -0.4899 -0.4899 -0.1153 -0.1153
0.5319 0.5319 1.3941 1.3941 2.3705 2.3705 2.6500 2.6500
2.7098 2.7098 2.7508 2.7508 3.3464 3.3464 4.2781 4.2781
4.3497 4.3497 7.8396 7.8396 8.1991 8.1991 8.4180 8.4180
k = 0.5686-0.0249-0.1607 ( 3744 PWs) bands (ev):
-14.6959 -14.6959 -14.3580 -14.3580 -10.7525 -10.7525 -10.5338 -10.5338
-3.3212 -3.3212 -3.1964 -3.1964 -2.6062 -2.6062 -2.4012 -2.4012
-1.5417 -1.5417 -1.1882 -1.1882 -0.5159 -0.5159 -0.1261 -0.1261
0.5474 0.5474 1.3731 1.3731 2.3150 2.3150 2.6494 2.6494
2.7236 2.7236 2.7521 2.7521 3.3579 3.3579 4.2763 4.2763
4.3076 4.3076 7.8071 7.8071 8.2039 8.2039 8.3900 8.3900
k = 0.5743-0.0415-0.1607 ( 3742 PWs) bands (ev):
-14.6910 -14.6910 -14.3591 -14.3591 -10.7440 -10.7440 -10.5281 -10.5281
-3.3124 -3.3124 -3.1986 -3.1986 -2.6094 -2.6094 -2.3955 -2.3955
-1.5354 -1.5354 -1.2165 -1.2165 -0.5431 -0.5431 -0.1384 -0.1384
0.5640 0.5640 1.3515 1.3515 2.2582 2.2582 2.6485 2.6485
2.7311 2.7311 2.7599 2.7599 3.3672 3.3672 4.2571 4.2571
4.2834 4.2834 7.7748 7.7748 8.2085 8.2085 8.3606 8.3606
k = 0.5800-0.0580-0.1607 ( 3734 PWs) bands (ev):
-14.6858 -14.6858 -14.3603 -14.3603 -10.7350 -10.7350 -10.5221 -10.5221
-3.3043 -3.3043 -3.1997 -3.1997 -2.6134 -2.6134 -2.3889 -2.3889
-1.5289 -1.5289 -1.2455 -1.2455 -0.5710 -0.5710 -0.1523 -0.1523
0.5817 0.5817 1.3295 1.3295 2.2005 2.2005 2.6474 2.6474
2.7335 2.7335 2.7721 2.7721 3.3744 3.3744 4.2181 4.2181
4.2803 4.2803 7.7427 7.7427 8.2129 8.2129 8.3303 8.3303
k = 0.5858-0.0745-0.1607 ( 3732 PWs) bands (ev):
-14.6803 -14.6803 -14.3617 -14.3617 -10.7256 -10.7256 -10.5158 -10.5158
-3.2980 -3.2980 -3.1988 -3.1988 -2.6183 -2.6183 -2.3815 -2.3815
-1.5222 -1.5222 -1.2750 -1.2750 -0.5995 -0.5995 -0.1677 -0.1677
0.6004 0.6004 1.3072 1.3072 2.1424 2.1424 2.6461 2.6461
2.7340 2.7340 2.7846 2.7846 3.3795 3.3795 4.1795 4.1795
4.2790 4.2790 7.7113 7.7113 8.2170 8.2170 8.2994 8.2994
k = 0.5915-0.0910-0.1607 ( 3730 PWs) bands (ev):
-14.6744 -14.6744 -14.3632 -14.3632 -10.7157 -10.7157 -10.5093 -10.5093
-3.2944 -3.2944 -3.1951 -3.1951 -2.6240 -2.6240 -2.3733 -2.3733
-1.5155 -1.5155 -1.3048 -1.3048 -0.6281 -0.6281 -0.1848 -0.1848
0.6200 0.6200 1.2847 1.2847 2.0843 2.0843 2.6445 2.6445
2.7342 2.7342 2.7954 2.7954 3.3825 3.3825 4.1439 4.1439
4.2777 4.2777 7.6806 7.6806 8.2206 8.2206 8.2684 8.2684
k = 0.5972-0.1075-0.1607 ( 3734 PWs) bands (ev):
-14.6683 -14.6683 -14.3649 -14.3649 -10.7054 -10.7054 -10.5024 -10.5024
-3.2941 -3.2941 -3.1880 -3.1880 -2.6308 -2.6308 -2.3644 -2.3644
-1.5089 -1.5089 -1.3345 -1.3345 -0.6566 -0.6566 -0.2034 -0.2034
0.6405 0.6405 1.2621 1.2621 2.0264 2.0264 2.6427 2.6427
2.7342 2.7342 2.8036 2.8036 3.3836 3.3836 4.1120 4.1120
4.2763 4.2763 7.6511 7.6511 8.2214 8.2214 8.2398 8.2398
k = 0.6029-0.1240-0.1607 ( 3730 PWs) bands (ev):
-14.6620 -14.6620 -14.3667 -14.3667 -10.6947 -10.6947 -10.4953 -10.4953
-3.2973 -3.2973 -3.1773 -3.1773 -2.6384 -2.6384 -2.3546 -2.3546
-1.5025 -1.5025 -1.3641 -1.3641 -0.6845 -0.6845 -0.2238 -0.2238
0.6617 0.6617 1.2396 1.2396 1.9691 1.9691 2.6404 2.6404
2.7341 2.7341 2.8088 2.8088 3.3829 3.3829 4.0848 4.0848
4.2748 4.2748 7.6227 7.6227 8.2017 8.2017 8.2315 8.2315
k = 0.6086-0.1405-0.1607 ( 3726 PWs) bands (ev):
-14.6553 -14.6553 -14.3687 -14.3687 -10.6838 -10.6838 -10.4880 -10.4880
-3.3034 -3.3034 -3.1637 -3.1637 -2.6470 -2.6470 -2.3441 -2.3441
-1.4965 -1.4965 -1.3931 -1.3931 -0.7116 -0.7116 -0.2457 -0.2457
0.6837 0.6837 1.2173 1.2173 1.9124 1.9124 2.6376 2.6376
2.7340 2.7340 2.8107 2.8107 3.3803 3.3803 4.0626 4.0626
4.2731 4.2731 7.5958 7.5958 8.1717 8.1717 8.2335 8.2335
k = 0.6143-0.1570-0.1607 ( 3730 PWs) bands (ev):
-14.6485 -14.6485 -14.3709 -14.3709 -10.6725 -10.6725 -10.4806 -10.4806
-3.3120 -3.3120 -3.1476 -3.1476 -2.6566 -2.6566 -2.3330 -2.3330
-1.4911 -1.4911 -1.4214 -1.4214 -0.7375 -0.7375 -0.2693 -0.2693
0.7062 0.7062 1.1951 1.1951 1.8565 1.8565 2.6338 2.6338
2.7335 2.7335 2.8097 2.8097 3.3760 3.3760 4.0459 4.0459
4.2715 4.2715 7.5705 7.5705 8.1414 8.1414 8.2360 8.2360
k = 0.6201-0.1735-0.1607 ( 3727 PWs) bands (ev):
-14.6414 -14.6414 -14.3733 -14.3733 -10.6611 -10.6611 -10.4730 -10.4730
-3.3227 -3.3227 -3.1295 -3.1295 -2.6671 -2.6671 -2.3213 -2.3213
-1.4867 -1.4867 -1.4486 -1.4486 -0.7617 -0.7617 -0.2943 -0.2943
0.7293 0.7293 1.1733 1.1733 1.8016 1.8016 2.6288 2.6288
2.7325 2.7325 2.8064 2.8064 3.3701 3.3701 4.0347 4.0347
4.2699 4.2699 7.5469 7.5469 8.1115 8.1115 8.2383 8.2383
k = 0.6258-0.1900-0.1607 ( 3727 PWs) bands (ev):
-14.6342 -14.6342 -14.3759 -14.3759 -10.6495 -10.6495 -10.4652 -10.4652
-3.3350 -3.3350 -3.1098 -3.1098 -2.6786 -2.6786 -2.3090 -2.3090
-1.4857 -1.4857 -1.4722 -1.4722 -0.7839 -0.7839 -0.3209 -0.3209
0.7527 0.7527 1.1518 1.1518 1.7479 1.7479 2.6218 2.6218
2.7308 2.7308 2.8017 2.8017 3.3627 3.3627 4.0290 4.0290
4.2684 4.2684 7.5251 7.5251 8.0824 8.0824 8.2402 8.2402
k = 0.6315-0.2065-0.1607 ( 3723 PWs) bands (ev):
-14.6267 -14.6267 -14.3786 -14.3786 -10.6377 -10.6377 -10.4574 -10.4574
-3.3489 -3.3489 -3.0886 -3.0886 -2.6910 -2.6910 -2.2963 -2.2963
-1.5035 -1.5035 -1.4769 -1.4769 -0.8037 -0.8037 -0.3489 -0.3489
0.7764 0.7764 1.1307 1.1307 1.6953 1.6953 2.6121 2.6121
2.7281 2.7281 2.7970 2.7970 3.3538 3.3538 4.0286 4.0286
4.2671 4.2671 7.5052 7.5052 8.0542 8.0542 8.2416 8.2416
k = 0.6372-0.2230-0.1607 ( 3729 PWs) bands (ev):
-14.6191 -14.6191 -14.3816 -14.3816 -10.6259 -10.6259 -10.4496 -10.4496
-3.3641 -3.3641 -3.0663 -3.0663 -2.7043 -2.7043 -2.2832 -2.2832
-1.5270 -1.5270 -1.4758 -1.4758 -0.8208 -0.8208 -0.3782 -0.3782
0.8002 0.8002 1.1102 1.1102 1.6442 1.6442 2.5988 2.5988
2.7245 2.7245 2.7933 2.7933 3.3437 3.3437 4.0330 4.0330
4.2661 4.2661 7.4873 7.4873 8.0271 8.0271 8.2425 8.2425
k = 0.6429-0.2396-0.1607 ( 3723 PWs) bands (ev):
-14.6114 -14.6114 -14.3848 -14.3848 -10.6141 -10.6141 -10.4417 -10.4417
-3.3805 -3.3805 -3.0428 -3.0428 -2.7185 -2.7185 -2.2698 -2.2698
-1.5496 -1.5496 -1.4753 -1.4753 -0.8348 -0.8348 -0.4088 -0.4088
0.8239 0.8239 1.0902 1.0902 1.5945 1.5945 2.5812 2.5812
2.7207 2.7207 2.7916 2.7916 3.3323 3.3323 4.0419 4.0419
4.2653 4.2653 7.4715 7.4715 8.0013 8.0013 8.2428 8.2428
k = 0.6486-0.2561-0.1607 ( 3725 PWs) bands (ev):
-14.6035 -14.6035 -14.3883 -14.3883 -10.6023 -10.6023 -10.4339 -10.4339
-3.3981 -3.3981 -3.0183 -3.0183 -2.7337 -2.7337 -2.2561 -2.2561
-1.5708 -1.5708 -1.4760 -1.4760 -0.8456 -0.8456 -0.4405 -0.4405
0.8473 0.8473 1.0708 1.0708 1.5465 1.5465 2.5589 2.5589
2.7174 2.7174 2.7917 2.7917 3.3198 3.3198 4.0546 4.0546
4.2650 4.2650 7.4579 7.4579 7.9768 7.9768 8.2425 8.2425
k = 0.6544-0.2726-0.1607 ( 3721 PWs) bands (ev):
-14.5955 -14.5955 -14.3920 -14.3920 -10.5906 -10.5906 -10.4261 -10.4261
-3.4168 -3.4168 -2.9928 -2.9928 -2.7497 -2.7497 -2.2423 -2.2423
-1.5905 -1.5905 -1.4778 -1.4778 -0.8530 -0.8530 -0.4731 -0.4731
0.8701 0.8701 1.0521 1.0521 1.5002 1.5002 2.5324 2.5324
2.7151 2.7151 2.7935 2.7935 3.3064 3.3064 4.0707 4.0707
4.2651 4.2651 7.4463 7.4463 7.9539 7.9539 8.2416 8.2416
k = 0.6601-0.2891-0.1607 ( 3721 PWs) bands (ev):
-14.5875 -14.5875 -14.3959 -14.3959 -10.5790 -10.5790 -10.4184 -10.4184
-3.4364 -3.4364 -2.9664 -2.9664 -2.7665 -2.7665 -2.2285 -2.2285
-1.6085 -1.6085 -1.4806 -1.4806 -0.8569 -0.8569 -0.5067 -0.5067
0.8922 0.8922 1.0341 1.0341 1.4559 1.4559 2.5023 2.5023
2.7140 2.7140 2.7967 2.7967 3.2921 3.2921 4.0894 4.0894
4.2658 4.2658 7.4370 7.4370 7.9325 7.9325 8.2400 8.2400
k = 0.6658-0.3056-0.1607 ( 3725 PWs) bands (ev):
-14.5794 -14.5794 -14.4000 -14.4000 -10.5677 -10.5677 -10.4109 -10.4109
-3.4570 -3.4570 -2.9391 -2.9391 -2.7842 -2.7842 -2.2147 -2.2147
-1.6248 -1.6248 -1.4842 -1.4842 -0.8575 -0.8575 -0.5410 -0.5410
0.9130 0.9130 1.0170 1.0170 1.4139 1.4139 2.4693 2.4693
2.7140 2.7140 2.8010 2.8010 3.2771 3.2771 4.1102 4.1102
4.2669 4.2669 7.4297 7.4297 7.9128 7.9128 8.2378 8.2378
k = 0.6715-0.3221-0.1607 ( 3731 PWs) bands (ev):
-14.5712 -14.5712 -14.4045 -14.4045 -10.5566 -10.5566 -10.4035 -10.4035
-3.4784 -3.4784 -2.9110 -2.9110 -2.8028 -2.8028 -2.2011 -2.2011
-1.6395 -1.6395 -1.4884 -1.4884 -0.8547 -0.8547 -0.5758 -0.5758
0.9320 0.9320 1.0009 1.0009 1.3744 1.3744 2.4342 2.4342
2.7151 2.7151 2.8063 2.8063 3.2617 3.2617 4.1326 4.1326
4.2686 4.2686 7.4247 7.4247 7.8948 7.8948 8.2348 8.2348
k = 0.6772-0.3386-0.1607 ( 3731 PWs) bands (ev):
-14.5631 -14.5631 -14.4091 -14.4091 -10.5457 -10.5457 -10.3964 -10.3964
-3.5006 -3.5006 -2.8822 -2.8822 -2.8220 -2.8220 -2.1877 -2.1877
-1.6523 -1.6523 -1.4929 -1.4929 -0.8488 -0.8488 -0.6112 -0.6112
0.9481 0.9481 0.9863 0.9863 1.3381 1.3381 2.3978 2.3978
2.7171 2.7171 2.8124 2.8124 3.2459 3.2459 4.1562 4.1562
4.2710 4.2710 7.4217 7.4217 7.8787 7.8787 8.2311 8.2311
k = 0.6829-0.3551-0.1607 ( 3731 PWs) bands (ev):
-14.5549 -14.5549 -14.4141 -14.4141 -10.5352 -10.5352 -10.3894 -10.3894
-3.5235 -3.5235 -2.8527 -2.8527 -2.8420 -2.8420 -2.1747 -2.1747
-1.6635 -1.6635 -1.4971 -1.4971 -0.8400 -0.8400 -0.6467 -0.6467
0.9575 0.9575 0.9763 0.9763 1.3057 1.3057 2.3606 2.3606
2.7199 2.7199 2.8193 2.8193 3.2300 3.2300 4.1804 4.1804
4.2741 4.2741 7.4209 7.4209 7.8646 7.8646 8.2268 8.2268
k = 0.6887-0.3716-0.1607 ( 3731 PWs) bands (ev):
-14.5467 -14.5467 -14.4192 -14.4192 -10.5251 -10.5251 -10.3827 -10.3827
-3.5469 -3.5469 -2.8629 -2.8629 -2.8223 -2.8223 -2.1620 -2.1620
-1.6729 -1.6729 -1.5009 -1.5009 -0.8285 -0.8285 -0.6825 -0.6825
0.9518 0.9518 0.9780 0.9780 1.2782 1.2782 2.3229 2.3229
2.7234 2.7234 2.8267 2.8267 3.2140 3.2140 4.2049 4.2049
4.2780 4.2780 7.4222 7.4222 7.8525 7.8525 8.2217 8.2217
k = 0.6944-0.3881-0.1607 ( 3735 PWs) bands (ev):
-14.5386 -14.5386 -14.4247 -14.4247 -10.5155 -10.5155 -10.3763 -10.3763
-3.5710 -3.5710 -2.8843 -2.8843 -2.7914 -2.7914 -2.1498 -2.1498
-1.6806 -1.6806 -1.5038 -1.5038 -0.8146 -0.8146 -0.7181 -0.7181
0.9405 0.9405 0.9810 0.9810 1.2566 1.2566 2.2852 2.2852
2.7274 2.7274 2.8347 2.8347 3.1983 3.1983 4.2289 4.2289
4.2830 4.2830 7.4254 7.4254 7.8425 7.8425 8.2160 8.2160
k = 0.7001-0.4046-0.1607 ( 3739 PWs) bands (ev):
-14.5305 -14.5305 -14.4304 -14.4304 -10.5063 -10.5063 -10.3702 -10.3702
-3.5955 -3.5955 -2.9064 -2.9064 -2.7599 -2.7599 -2.1380 -2.1380
-1.6867 -1.6867 -1.5056 -1.5056 -0.7986 -0.7986 -0.7535 -0.7535
0.9292 0.9292 0.9787 0.9787 1.2420 1.2420 2.2479 2.2479
2.7319 2.7319 2.8431 2.8431 3.1829 3.1829 4.2517 4.2517
4.2897 4.2897 7.4307 7.4307 7.8346 7.8346 8.2096 8.2096
k = 0.7058-0.4211-0.1607 ( 3741 PWs) bands (ev):
-14.5225 -14.5225 -14.4364 -14.4364 -10.4976 -10.4976 -10.3645 -10.3645
-3.6203 -3.6203 -2.9291 -2.9291 -2.7279 -2.7279 -2.1267 -2.1267
-1.6912 -1.6912 -1.5061 -1.5061 -0.7888 -0.7888 -0.7803 -0.7803
0.9187 0.9187 0.9701 0.9701 1.2345 1.2345 2.2111 2.2111
2.7368 2.7368 2.8517 2.8517 3.1683 3.1683 4.2715 4.2715
4.2996 4.2996 7.4378 7.4378 7.8289 7.8289 8.2026 8.2026
k = 0.7115-0.4377-0.1607 ( 3735 PWs) bands (ev):
-14.5146 -14.5146 -14.4427 -14.4427 -10.4895 -10.4895 -10.3592 -10.3592
-3.6455 -3.6455 -2.9523 -2.9523 -2.6953 -2.6953 -2.1159 -2.1159
-1.6942 -1.6942 -1.5049 -1.5049 -0.8229 -0.8229 -0.7608 -0.7608
0.9091 0.9091 0.9559 0.9559 1.2333 1.2333 2.1751 2.1751
2.7422 2.7422 2.8603 2.8603 3.1545 3.1545 4.2861 4.2861
4.3148 4.3148 7.4469 7.4469 7.8255 7.8255 8.1950 8.1950
k = 0.7173-0.4542-0.1607 ( 3739 PWs) bands (ev):
-14.5068 -14.5068 -14.4492 -14.4492 -10.4820 -10.4820 -10.3542 -10.3542
-3.6710 -3.6710 -2.9761 -2.9761 -2.6624 -2.6624 -2.1055 -2.1055
-1.6958 -1.6958 -1.5021 -1.5021 -0.8563 -0.8563 -0.7395 -0.7395
0.9004 0.9004 0.9375 0.9375 1.2368 1.2368 2.1399 2.1399
2.7479 2.7479 2.8688 2.8688 3.1420 3.1420 4.2965 4.2965
4.3337 4.3337 7.4577 7.4577 7.8244 7.8244 8.1868 8.1868
k = 0.2827-0.8164 0.0000 ( 3739 PWs) bands (ev):
-14.5068 -14.5068 -14.4492 -14.4492 -10.4820 -10.4820 -10.3542 -10.3542
-3.6710 -3.6710 -2.9761 -2.9761 -2.6624 -2.6624 -2.1055 -2.1055
-1.6958 -1.6958 -1.5021 -1.5021 -0.8563 -0.8563 -0.7395 -0.7395
0.9004 0.9004 0.9375 0.9375 1.2368 1.2368 2.1399 2.1399
2.7479 2.7479 2.8688 2.8688 3.1420 3.1420 4.2965 4.2965
4.3337 4.3337 7.4577 7.4577 7.8244 7.8244 8.1868 8.1868
k = 0.2770-0.7998 0.0000 ( 3739 PWs) bands (ev):
-14.4990 -14.4990 -14.4560 -14.4560 -10.4750 -10.4750 -10.3496 -10.3496
-3.6969 -3.6969 -3.0006 -3.0006 -2.6289 -2.6289 -2.0953 -2.0953
-1.6961 -1.6961 -1.4975 -1.4975 -0.8890 -0.8890 -0.7166 -0.7166
0.8923 0.8923 0.9168 0.9168 1.2436 1.2436 2.1056 2.1056
2.7539 2.7539 2.8769 2.8769 3.1308 3.1308 4.3057 4.3057
4.3536 4.3536 7.4704 7.4704 7.8256 7.8256 8.1779 8.1779
k = 0.2712-0.7831-0.0000 ( 3737 PWs) bands (ev):
-14.4914 -14.4914 -14.4631 -14.4631 -10.4687 -10.4687 -10.3455 -10.3455
-3.7230 -3.7230 -3.0255 -3.0255 -2.5951 -2.5951 -2.0853 -2.0853
-1.6953 -1.6953 -1.4910 -1.4910 -0.9203 -0.9203 -0.6925 -0.6925
0.8831 0.8831 0.8969 0.8969 1.2523 1.2523 2.0725 2.0725
2.7602 2.7602 2.8842 2.8842 3.1215 3.1215 4.3150 4.3150
4.3730 4.3730 7.4847 7.4847 7.8292 7.8292 8.1686 8.1686
k = 0.2654-0.7665-0.0000 ( 3735 PWs) bands (ev):
-14.4839 -14.4839 -14.4704 -14.4704 -10.4630 -10.4630 -10.3418 -10.3418
-3.7492 -3.7492 -3.0508 -3.0508 -2.5611 -2.5611 -2.0754 -2.0754
-1.6935 -1.6935 -1.4829 -1.4829 -0.9499 -0.9499 -0.6673 -0.6673
0.8658 0.8658 0.8859 0.8859 1.2620 1.2620 2.0408 2.0408
2.7666 2.7666 2.8903 2.8903 3.1145 3.1145 4.3246 4.3246
4.3911 4.3911 7.5007 7.5007 7.8352 7.8352 8.1587 8.1587
k = 0.2597-0.7498 0.0000 ( 3737 PWs) bands (ev):
-14.4780 -14.4780 -14.4766 -14.4766 -10.4581 -10.4581 -10.3386 -10.3386
-3.7754 -3.7754 -3.0764 -3.0764 -2.5272 -2.5272 -2.0654 -2.0654
-1.6910 -1.6910 -1.4731 -1.4731 -0.9775 -0.9775 -0.6411 -0.6411
0.8438 0.8438 0.8811 0.8811 1.2721 1.2721 2.0104 2.0104
2.7731 2.7731 2.8950 2.8950 3.1101 3.1101 4.3348 4.3348
4.4078 4.4078 7.5182 7.5182 7.8436 7.8436 8.1485 8.1485
k = 0.2539-0.7331 0.0000 ( 3735 PWs) bands (ev):
-14.4858 -14.4858 -14.4694 -14.4694 -10.4538 -10.4538 -10.3359 -10.3359
-3.8016 -3.8016 -3.1023 -3.1023 -2.4933 -2.4933 -2.0551 -2.0551
-1.6880 -1.6880 -1.4618 -1.4618 -1.0028 -1.0028 -0.6142 -0.6142
0.8218 0.8218 0.8784 0.8784 1.2820 1.2820 1.9816 1.9816
2.7796 2.7796 2.8980 2.8980 3.1083 3.1083 4.3457 4.3457
4.4228 4.4228 7.5370 7.5370 7.8543 7.8543 8.1378 8.1378
k = 0.2481-0.7165 0.0000 ( 3733 PWs) bands (ev):
-14.4938 -14.4938 -14.4625 -14.4625 -10.4503 -10.4503 -10.3337 -10.3337
-3.8279 -3.8279 -3.1285 -3.1285 -2.4597 -2.4597 -2.0443 -2.0443
-1.6847 -1.6847 -1.4491 -1.4491 -1.0252 -1.0252 -0.5865 -0.5865
0.8007 0.8007 0.8773 0.8773 1.2915 1.2915 1.9543 1.9543
2.7860 2.7860 2.8993 2.8993 3.1093 3.1093 4.3574 4.3574
4.4359 4.4359 7.5572 7.5572 7.8675 7.8675 8.1267 8.1267
k = 0.2424-0.6998 0.0000 ( 3741 PWs) bands (ev):
-14.5021 -14.5021 -14.4557 -14.4557 -10.4475 -10.4475 -10.3320 -10.3320
-3.8540 -3.8540 -3.1548 -3.1548 -2.4266 -2.4266 -2.0330 -2.0330
-1.6815 -1.6815 -1.4352 -1.4352 -1.0445 -1.0445 -0.5582 -0.5582
0.7810 0.7810 0.8776 0.8776 1.3004 1.3004 1.9286 1.9286
2.7921 2.7921 2.8991 2.8991 3.1127 3.1127 4.3698 4.3698
4.4472 4.4472 7.5785 7.5785 7.8828 7.8828 8.1154 8.1154
k = 0.2366-0.6831-0.0000 ( 3739 PWs) bands (ev):
-14.5105 -14.5105 -14.4492 -14.4492 -10.4454 -10.4454 -10.3308 -10.3308
-3.8801 -3.8801 -3.1812 -3.1812 -2.3941 -2.3941 -2.0208 -2.0208
-1.6787 -1.6787 -1.4203 -1.4203 -1.0601 -1.0601 -0.5295 -0.5295
0.7630 0.7630 0.8794 0.8794 1.3086 1.3086 1.9046 1.9046
2.7978 2.7978 2.8979 2.8979 3.1184 3.1184 4.3829 4.3829
4.4566 4.4566 7.6009 7.6009 7.9004 7.9004 8.1037 8.1037
k = 0.2308-0.6665-0.0000 ( 3733 PWs) bands (ev):
-14.5191 -14.5191 -14.4428 -14.4428 -10.4440 -10.4440 -10.3301 -10.3301
-3.9061 -3.9061 -3.2078 -3.2078 -2.3624 -2.3624 -2.0078 -2.0078
-1.6764 -1.6764 -1.4044 -1.4044 -1.0718 -1.0718 -0.5004 -0.5004
0.7469 0.7469 0.8826 0.8826 1.3159 1.3159 1.8824 1.8824
2.8029 2.8029 2.8961 2.8961 3.1258 3.1258 4.3968 4.3968
4.4641 4.4641 7.6242 7.6242 7.9201 7.9201 8.0919 8.0919
k = 0.2250-0.6498 0.0000 ( 3733 PWs) bands (ev):
-14.5279 -14.5279 -14.4367 -14.4367 -10.4433 -10.4433 -10.3299 -10.3299
-3.9320 -3.9320 -3.2344 -3.2344 -2.3319 -2.3319 -1.9936 -1.9936
-1.6749 -1.6749 -1.3879 -1.3879 -1.0789 -1.0789 -0.4711 -0.4711
0.7329 0.7329 0.8872 0.8872 1.3224 1.3224 1.8618 1.8618
2.8071 2.8071 2.8942 2.8942 3.1344 3.1344 4.4112 4.4112
4.4696 4.4696 7.6482 7.6482 7.9417 7.9417 8.0799 8.0799
k = 0.2193-0.6332 0.0000 ( 3733 PWs) bands (ev):
-14.5368 -14.5368 -14.4308 -14.4308 -10.4433 -10.4433 -10.3302 -10.3302
-3.9577 -3.9577 -3.2610 -3.2610 -2.3028 -2.3028 -1.9783 -1.9783
-1.6743 -1.6743 -1.3707 -1.3707 -1.0815 -1.0815 -0.4417 -0.4417
0.7213 0.7213 0.8932 0.8932 1.3280 1.3280 1.8432 1.8432
2.8102 2.8102 2.8930 2.8930 3.1438 3.1438 4.4263 4.4263
4.4734 4.4734 7.6728 7.6728 7.9650 7.9650 8.0679 8.0679
k = 0.2135-0.6165-0.0000 ( 3733 PWs) bands (ev):
-14.5459 -14.5459 -14.4252 -14.4252 -10.4440 -10.4440 -10.3310 -10.3310
-3.9833 -3.9833 -3.2875 -3.2875 -2.2755 -2.2755 -1.9618 -1.9618
-1.6746 -1.6746 -1.3532 -1.3532 -1.0791 -1.0791 -0.4124 -0.4124
0.7122 0.7122 0.9007 0.9007 1.3327 1.3327 1.8263 1.8263
2.8118 2.8118 2.8928 2.8928 3.1535 3.1535 4.4416 4.4416
4.4754 4.4754 7.6975 7.6975 7.9897 7.9897 8.0562 8.0562
k = 0.2077-0.5998-0.0000 ( 3731 PWs) bands (ev):
-14.5550 -14.5550 -14.4198 -14.4198 -10.4453 -10.4453 -10.3322 -10.3322
-4.0087 -4.0087 -3.3139 -3.3139 -2.2503 -2.2503 -1.9439 -1.9439
-1.6755 -1.6755 -1.3353 -1.3353 -1.0719 -1.0719 -0.3831 -0.3831
0.7058 0.7058 0.9095 0.9095 1.3365 1.3365 1.8113 1.8113
2.8120 2.8120 2.8940 2.8940 3.1634 3.1634 4.4567 4.4567
4.4766 4.4766 7.7221 7.7221 8.0153 8.0153 8.0450 8.0450
k = 0.2020-0.5832 0.0000 ( 3727 PWs) bands (ev):
-14.5643 -14.5643 -14.4146 -14.4146 -10.4473 -10.4473 -10.3339 -10.3339
-4.0339 -4.0339 -3.3402 -3.3402 -2.2277 -2.2277 -1.9246 -1.9246
-1.6767 -1.6767 -1.3173 -1.3173 -1.0599 -1.0599 -0.3541 -0.3541
0.7023 0.7023 0.9197 0.9197 1.3395 1.3395 1.7983 1.7983
2.8108 2.8108 2.8965 2.8965 3.1730 3.1730 4.4669 4.4669
4.4813 4.4813 7.7459 7.7459 8.0333 8.0333 8.0429 8.0429
k = 0.1962-0.5665 0.0000 ( 3725 PWs) bands (ev):
-14.5737 -14.5737 -14.4097 -14.4097 -10.4499 -10.4499 -10.3361 -10.3361
-4.0589 -4.0589 -3.3663 -3.3663 -2.2080 -2.2080 -1.9039 -1.9039
-1.6777 -1.6777 -1.2992 -1.2992 -1.0434 -1.0434 -0.3256 -0.3256
0.7018 0.7018 0.9312 0.9312 1.3417 1.3417 1.7873 1.7873
2.8085 2.8085 2.9002 2.9002 3.1822 3.1822 4.4669 4.4669
4.4951 4.4951 7.7681 7.7681 8.0254 8.0254 8.0682 8.0682
k = 0.1904-0.5499 0.0000 ( 3719 PWs) bands (ev):
-14.5831 -14.5831 -14.4050 -14.4050 -10.4530 -10.4530 -10.3386 -10.3386
-4.0836 -4.0836 -3.3922 -3.3922 -2.1916 -2.1916 -1.8817 -1.8817
-1.6781 -1.6781 -1.2811 -1.2811 -1.0226 -1.0226 -0.2975 -0.2975
0.7045 0.7045 0.9440 0.9440 1.3430 1.3430 1.7783 1.7783
2.8054 2.8054 2.9047 2.9047 3.1908 3.1908 4.4629 4.4629
4.5116 4.5116 7.7876 7.7876 8.0195 8.0195 8.0931 8.0931
k = 0.1847-0.5332 0.0000 ( 3721 PWs) bands (ev):
-14.5926 -14.5926 -14.4005 -14.4005 -10.4566 -10.4566 -10.3416 -10.3416
-4.1081 -4.1081 -3.4177 -3.4177 -2.1788 -2.1788 -1.8581 -1.8581
-1.6773 -1.6773 -1.2632 -1.2632 -0.9980 -0.9980 -0.2702 -0.2702
0.7106 0.7106 0.9580 0.9580 1.3435 1.3435 1.7714 1.7714
2.8018 2.8018 2.9097 2.9097 3.1987 3.1987 4.4572 4.4572
4.5287 4.5287 7.8028 7.8028 8.0178 8.0178 8.1158 8.1158
k = 0.1789-0.5165 0.0000 ( 3717 PWs) bands (ev):
-14.6020 -14.6020 -14.3963 -14.3963 -10.4608 -10.4608 -10.3449 -10.3449
-4.1323 -4.1323 -3.4430 -3.4430 -2.1698 -2.1698 -1.8330 -1.8330
-1.6750 -1.6750 -1.2455 -1.2455 -0.9699 -0.9699 -0.2436 -0.2436
0.7201 0.7201 0.9730 0.9730 1.3434 1.3434 1.7667 1.7667
2.7980 2.7980 2.9152 2.9152 3.2057 3.2057 4.4503 4.4503
4.5458 4.5458 7.8121 7.8121 8.0217 8.0217 8.1350 8.1350
k = 0.1731-0.4999 0.0000 ( 3719 PWs) bands (ev):
-14.6115 -14.6115 -14.3923 -14.3923 -10.4654 -10.4654 -10.3485 -10.3485
-4.1562 -4.1562 -3.4679 -3.4679 -2.1648 -2.1648 -1.8065 -1.8065
-1.6709 -1.6709 -1.2280 -1.2280 -0.9388 -0.9388 -0.2179 -0.2179
0.7333 0.7333 0.9890 0.9890 1.3425 1.3425 1.7641 1.7641
2.7941 2.7941 2.9208 2.9208 3.2117 3.2117 4.4425 4.4425
4.5628 4.5628 7.8145 7.8145 8.0321 8.0321 8.1492 8.1492
k = 0.1673-0.4832 0.0000 ( 3719 PWs) bands (ev):
-14.6210 -14.6210 -14.3886 -14.3886 -10.4704 -10.4704 -10.3525 -10.3525
-4.1798 -4.1798 -3.4925 -3.4925 -2.1636 -2.1636 -1.7787 -1.7787
-1.6648 -1.6648 -1.2109 -1.2109 -0.9050 -0.9050 -0.1933 -0.1933
0.7502 0.7502 1.0059 1.0059 1.3411 1.3411 1.7637 1.7637
2.7903 2.7903 2.9262 2.9262 3.2168 3.2168 4.4340 4.4340
4.5794 4.5794 7.8103 7.8103 8.0488 8.0488 8.1574 8.1574
k = 0.1616-0.4665 0.0000 ( 3717 PWs) bands (ev):
-14.6304 -14.6304 -14.3851 -14.3851 -10.4758 -10.4758 -10.3568 -10.3568
-4.2030 -4.2030 -3.5165 -3.5165 -2.1660 -2.1660 -1.7495 -1.7495
-1.6570 -1.6570 -1.1942 -1.1942 -0.8690 -0.8690 -0.1698 -0.1698
0.7709 0.7709 1.0235 1.0235 1.3390 1.3390 1.7657 1.7657
2.7867 2.7867 2.9315 2.9315 3.2208 3.2208 4.4251 4.4251
4.5955 4.5955 7.8005 7.8005 8.0705 8.0705 8.1591 8.1591
k = 0.1558-0.4499 0.0000 ( 3709 PWs) bands (ev):
-14.6397 -14.6397 -14.3818 -14.3818 -10.4815 -10.4815 -10.3613 -10.3613
-4.2258 -4.2258 -3.5402 -3.5402 -2.1715 -2.1715 -1.7192 -1.7192
-1.6476 -1.6476 -1.1779 -1.1779 -0.8310 -0.8310 -0.1476 -0.1476
0.7954 0.7954 1.0416 1.0416 1.3364 1.3364 1.7701 1.7701
2.7834 2.7834 2.9365 2.9365 3.2238 3.2238 4.4161 4.4161
4.6110 4.6110 7.7866 7.7866 8.0957 8.0957 8.1547 8.1547
k = 0.1500-0.4332 0.0000 ( 3719 PWs) bands (ev):
-14.6490 -14.6490 -14.3788 -14.3788 -10.4875 -10.4875 -10.3660 -10.3660
-4.2482 -4.2482 -3.5633 -3.5633 -2.1797 -2.1797 -1.6877 -1.6877
-1.6369 -1.6369 -1.1621 -1.1621 -0.7916 -0.7916 -0.1267 -0.1267
0.8239 0.8239 1.0601 1.0601 1.3333 1.3333 1.7767 1.7767
2.7802 2.7802 2.9410 2.9410 3.2256 3.2256 4.4070 4.4070
4.6256 4.6256 7.7696 7.7696 8.1230 8.1230 8.1452 8.1452
k = 0.1443-0.4166-0.0000 ( 3719 PWs) bands (ev):
-14.6581 -14.6581 -14.3759 -14.3759 -10.4937 -10.4937 -10.3709 -10.3709
-4.2701 -4.2701 -3.5858 -3.5858 -2.1901 -2.1901 -1.6553 -1.6553
-1.6251 -1.6251 -1.1469 -1.1469 -0.7509 -0.7509 -0.1072 -0.1072
0.8563 0.8563 1.0787 1.0787 1.3298 1.3298 1.7858 1.7858
2.7773 2.7773 2.9449 2.9449 3.2263 3.2263 4.3984 4.3984
4.6393 4.6393 7.7502 7.7502 8.1297 8.1297 8.1536 8.1536
k = 0.1385-0.3999-0.0000 ( 3719 PWs) bands (ev):
-14.6671 -14.6671 -14.3733 -14.3733 -10.5001 -10.5001 -10.3760 -10.3760
-4.2915 -4.2915 -3.6078 -3.6078 -2.2024 -2.2024 -1.6234 -1.6234
-1.6114 -1.6114 -1.1321 -1.1321 -0.7093 -0.7093 -0.0892 -0.0892
0.8926 0.8926 1.0974 1.0974 1.3260 1.3260 1.7973 1.7973
2.7747 2.7747 2.9483 2.9483 3.2259 3.2259 4.3903 4.3903
4.6518 4.6518 7.7291 7.7291 8.1126 8.1126 8.1834 8.1834
k = 0.1327-0.3832-0.0000 ( 3721 PWs) bands (ev):
-14.6759 -14.6759 -14.3708 -14.3708 -10.5067 -10.5067 -10.3812 -10.3812
-4.3124 -4.3124 -3.6292 -3.6292 -2.2160 -2.2160 -1.6030 -1.6030
-1.5850 -1.5850 -1.1179 -1.1179 -0.6671 -0.6671 -0.0727 -0.0727
0.9326 0.9326 1.1159 1.1159 1.3219 1.3219 1.8110 1.8110
2.7724 2.7724 2.9508 2.9508 3.2244 3.2244 4.3830 4.3830
4.6631 4.6631 7.7065 7.7065 8.0926 8.0926 8.2139 8.2139
k = 0.1269-0.3666-0.0000 ( 3719 PWs) bands (ev):
-14.6845 -14.6845 -14.3686 -14.3686 -10.5134 -10.5134 -10.3864 -10.3864
-4.3328 -4.3328 -3.6499 -3.6499 -2.2306 -2.2306 -1.5900 -1.5900
-1.5505 -1.5505 -1.1043 -1.1043 -0.6247 -0.6247 -0.0577 -0.0577
0.9762 0.9762 1.1342 1.1342 1.3177 1.3177 1.8270 1.8270
2.7704 2.7704 2.9526 2.9526 3.2217 3.2217 4.3768 4.3768
4.6730 4.6730 7.6829 7.6829 8.0708 8.0708 8.2444 8.2444
k = 0.1212-0.3499-0.0000 ( 3717 PWs) bands (ev):
-14.6929 -14.6929 -14.3665 -14.3665 -10.5201 -10.5201 -10.3918 -10.3918
-4.3525 -4.3525 -3.6699 -3.6699 -2.2459 -2.2459 -1.5778 -1.5778
-1.5149 -1.5149 -1.0913 -1.0913 -0.5822 -0.5822 -0.0444 -0.0444
1.0231 1.0231 1.1520 1.1520 1.3136 1.3136 1.8451 1.8451
2.7685 2.7685 2.9534 2.9534 3.2179 3.2179 4.3718 4.3718
4.6815 4.6815 7.6584 7.6584 8.0477 8.0477 8.2745 8.2745
k = 0.1154-0.3332-0.0000 ( 3719 PWs) bands (ev):
-14.7011 -14.7011 -14.3646 -14.3646 -10.5268 -10.5268 -10.3971 -10.3971
-4.3716 -4.3716 -3.6892 -3.6892 -2.2616 -2.2616 -1.5661 -1.5661
-1.4787 -1.4787 -1.0789 -1.0789 -0.5399 -0.5399 -0.0326 -0.0326
1.0728 1.0728 1.1695 1.1695 1.3098 1.3098 1.8651 1.8651
2.7669 2.7669 2.9533 2.9533 3.2129 3.2129 4.3684 4.3684
4.6883 4.6883 7.6332 7.6332 8.0236 8.0236 8.3038 8.3038
k = 0.1096-0.3166-0.0000 ( 3723 PWs) bands (ev):
-14.7091 -14.7091 -14.3629 -14.3629 -10.5335 -10.5335 -10.4024 -10.4024
-4.3901 -4.3901 -3.7078 -3.7078 -2.2775 -2.2775 -1.5549 -1.5549
-1.4421 -1.4421 -1.0671 -1.0671 -0.4981 -0.4981 -0.0224 -0.0224
1.1243 1.1243 1.1867 1.1867 1.3070 1.3070 1.8869 1.8869
2.7655 2.7655 2.9521 2.9521 3.2067 3.2067 4.3665 4.3665
4.6936 4.6936 7.6076 7.6076 7.9990 7.9990 8.3319 8.3319
k = 0.1039-0.2999-0.0000 ( 3719 PWs) bands (ev):
-14.7168 -14.7168 -14.3613 -14.3613 -10.5401 -10.5401 -10.4077 -10.4077
-4.4078 -4.4078 -3.7255 -3.7255 -2.2933 -2.2933 -1.5444 -1.5444
-1.4054 -1.4054 -1.0558 -1.0558 -0.4570 -0.4570 -0.0138 -0.0138
1.1742 1.1742 1.2048 1.2048 1.3072 1.3072 1.9101 1.9101
2.7643 2.7643 2.9500 2.9500 3.1993 3.1993 4.3665 4.3665
4.6971 4.6971 7.5817 7.5817 7.9740 7.9740 8.3584 8.3584
k = 0.0981-0.2833 0.0000 ( 3721 PWs) bands (ev):
-14.7242 -14.7242 -14.3599 -14.3599 -10.5466 -10.5466 -10.4129 -10.4129
-4.4248 -4.4248 -3.7425 -3.7425 -2.3089 -2.3089 -1.5346 -1.5346
-1.3688 -1.3688 -1.0452 -1.0452 -0.4167 -0.4167 -0.0066 -0.0066
1.2093 1.2093 1.2305 1.2305 1.3164 1.3164 1.9345 1.9345
2.7632 2.7632 2.9467 2.9467 3.1907 3.1907 4.3683 4.3683
4.6990 4.6990 7.5557 7.5557 7.9489 7.9489 8.3829 8.3829
k = 0.0923-0.2666 0.0000 ( 3719 PWs) bands (ev):
-14.7312 -14.7312 -14.3586 -14.3586 -10.5530 -10.5530 -10.4179 -10.4179
-4.4410 -4.4410 -3.7587 -3.7587 -2.3242 -2.3242 -1.5255 -1.5255
-1.3323 -1.3323 -1.0351 -1.0351 -0.3776 -0.3776 -0.0010 -0.0010
1.2273 1.2273 1.2527 1.2527 1.3479 1.3479 1.9598 1.9598
2.7623 2.7623 2.9424 2.9424 3.1808 3.1808 4.3720 4.3720
4.6992 4.6992 7.5298 7.5298 7.9240 7.9240 8.4049 8.4049
k = 0.0866-0.2499-0.0000 ( 3717 PWs) bands (ev):
-14.7380 -14.7380 -14.3575 -14.3575 -10.5592 -10.5592 -10.4229 -10.4229
-4.4564 -4.4564 -3.7740 -3.7740 -2.3390 -2.3390 -1.5171 -1.5171
-1.2963 -1.2963 -1.0257 -1.0257 -0.3397 -0.3397 0.0032 0.0032
1.2416 1.2416 1.2588 1.2588 1.4007 1.4007 1.9857 1.9857
2.7614 2.7614 2.9371 2.9371 3.1696 3.1696 4.3775 4.3775
4.6978 4.6978 7.5041 7.5041 7.8992 7.8992 8.4241 8.4241
k = 0.0808-0.2333 0.0000 ( 3711 PWs) bands (ev):
-14.7444 -14.7444 -14.3564 -14.3564 -10.5651 -10.5651 -10.4276 -10.4276
-4.4710 -4.4710 -3.7884 -3.7884 -2.3532 -2.3532 -1.5094 -1.5094
-1.2610 -1.2610 -1.0168 -1.0168 -0.3032 -0.3032 0.0061 0.0061
1.2534 1.2534 1.2594 1.2594 1.4625 1.4625 2.0119 2.0119
2.7605 2.7605 2.9309 2.9309 3.1572 3.1572 4.3849 4.3849
4.6948 4.6948 7.4789 7.4789 7.8749 7.8749 8.4401 8.4401
k = 0.0750-0.2166-0.0000 ( 3711 PWs) bands (ev):
-14.7504 -14.7504 -14.3555 -14.3555 -10.5708 -10.5708 -10.4322 -10.4322
-4.4847 -4.4847 -3.8020 -3.8020 -2.3668 -2.3668 -1.5024 -1.5024
-1.2265 -1.2265 -1.0084 -1.0084 -0.2684 -0.2684 0.0077 0.0077
1.2536 1.2536 1.2682 1.2682 1.5281 1.5281 2.0380 2.0380
2.7596 2.7596 2.9238 2.9238 3.1434 3.1434 4.3939 4.3939
4.6903 4.6903 7.4542 7.4542 7.8511 7.8511 8.4526 8.4526
k = 0.0692-0.1999 0.0000 ( 3713 PWs) bands (ev):
-14.7561 -14.7561 -14.3547 -14.3547 -10.5762 -10.5762 -10.4365 -10.4365
-4.4976 -4.4976 -3.8146 -3.8146 -2.3796 -2.3796 -1.4961 -1.4961
-1.1932 -1.1932 -1.0006 -1.0006 -0.2355 -0.2355 0.0083 0.0083
1.2498 1.2498 1.2794 1.2794 1.5956 1.5956 2.0637 2.0637
2.7587 2.7587 2.9159 2.9159 3.1283 3.1283 4.4044 4.4044
4.6846 4.6846 7.4304 7.4304 7.8281 7.8281 8.4615 8.4615
k = 0.0635-0.1833-0.0000 ( 3711 PWs) bands (ev):
-14.7613 -14.7613 -14.3540 -14.3540 -10.5812 -10.5812 -10.4406 -10.4406
-4.5095 -4.5095 -3.8263 -3.8263 -2.3916 -2.3916 -1.4905 -1.4905
-1.1613 -1.1613 -0.9932 -0.9932 -0.2044 -0.2044 0.0078 0.0078
1.2455 1.2455 1.2899 1.2899 1.6638 1.6638 2.0889 2.0889
2.7577 2.7577 2.9073 2.9073 3.1120 3.1120 4.4160 4.4160
4.6778 4.6778 7.4075 7.4075 7.8059 7.8059 8.4668 8.4668
k = 0.0577-0.1666 0.0000 ( 3717 PWs) bands (ev):
-14.7662 -14.7662 -14.3534 -14.3534 -10.5860 -10.5860 -10.4444 -10.4444
-4.5204 -4.5204 -3.8370 -3.8370 -2.4027 -2.4027 -1.4855 -1.4855
-1.1312 -1.1312 -0.9863 -0.9863 -0.1755 -0.1755 0.0065 0.0065
1.2412 1.2412 1.2997 1.2997 1.7320 1.7320 2.1130 2.1130
2.7565 2.7565 2.8982 2.8982 3.0946 3.0946 4.4286 4.4286
4.6702 4.6702 7.3859 7.3859 7.7848 7.7848 8.4688 8.4688
k = 0.0519-0.1500-0.0000 ( 3721 PWs) bands (ev):
-14.7706 -14.7706 -14.3528 -14.3528 -10.5903 -10.5903 -10.4479 -10.4479
-4.5304 -4.5304 -3.8468 -3.8468 -2.4129 -2.4129 -1.4811 -1.4811
-1.1031 -1.1031 -0.9796 -0.9796 -0.1488 -0.1488 0.0044 0.0044
1.2369 1.2369 1.3087 1.3087 1.7992 1.7992 2.1361 2.1361
2.7551 2.7551 2.8888 2.8888 3.0761 3.0761 4.4416 4.4416
4.6619 4.6619 7.3657 7.3657 7.7648 7.7648 8.4679 8.4679
k = 0.0462-0.1333 0.0000 ( 3717 PWs) bands (ev):
-14.7746 -14.7746 -14.3523 -14.3523 -10.5943 -10.5943 -10.4510 -10.4510
-4.5394 -4.5394 -3.8555 -3.8555 -2.4222 -2.4222 -1.4772 -1.4772
-1.0774 -1.0774 -0.9732 -0.9732 -0.1246 -0.1246 0.0019 0.0019
1.2329 1.2329 1.3169 1.3169 1.8647 1.8647 2.1577 2.1577
2.7534 2.7534 2.8793 2.8793 3.0570 3.0570 4.4549 4.4549
4.6533 4.6533 7.3470 7.3470 7.7463 7.7463 8.4648 8.4648
k = 0.0404-0.1166 0.0000 ( 3721 PWs) bands (ev):
-14.7782 -14.7782 -14.3519 -14.3519 -10.5978 -10.5978 -10.4539 -10.4539
-4.5474 -4.5474 -3.8633 -3.8633 -2.4304 -2.4304 -1.4739 -1.4739
-1.0546 -1.0546 -0.9669 -0.9669 -0.1029 -0.1029 -0.0011 -0.0011
1.2292 1.2292 1.3242 1.3242 1.9275 1.9275 2.1777 2.1777
2.7514 2.7514 2.8696 2.8696 3.0376 3.0376 4.4679 4.4679
4.6447 4.6447 7.3300 7.3300 7.7294 7.7294 8.4601 8.4601
k = 0.0346-0.1000 0.0000 ( 3719 PWs) bands (ev):
-14.7813 -14.7813 -14.3516 -14.3516 -10.6009 -10.6009 -10.4564 -10.4564
-4.5544 -4.5544 -3.8700 -3.8700 -2.4376 -2.4376 -1.4711 -1.4711
-1.0350 -1.0350 -0.9606 -0.9606 -0.0838 -0.0838 -0.0041 -0.0041
1.2258 1.2258 1.3307 1.3307 1.9867 1.9867 2.1958 2.1958
2.7489 2.7489 2.8602 2.8602 3.0184 3.0184 4.4802 4.4802
4.6365 4.6365 7.3149 7.3149 7.7142 7.7142 8.4544 8.4544
k = 0.0289-0.0833 0.0000 ( 3715 PWs) bands (ev):
-14.7839 -14.7839 -14.3513 -14.3513 -10.6035 -10.6035 -10.4585 -10.4585
-4.5603 -4.5603 -3.8758 -3.8758 -2.4438 -2.4438 -1.4687 -1.4687
-1.0190 -1.0190 -0.9540 -0.9540 -0.0675 -0.0675 -0.0069 -0.0069
1.2229 1.2229 1.3362 1.3362 2.0407 2.0407 2.2121 2.2121
2.7460 2.7460 2.8511 2.8511 3.0002 3.0002 4.4914 4.4914
4.6290 4.6290 7.3019 7.3019 7.7009 7.7009 8.4484 8.4484
k = 0.0231-0.0666 0.0000 ( 3715 PWs) bands (ev):
-14.7861 -14.7861 -14.3511 -14.3511 -10.6057 -10.6057 -10.4603 -10.4603
-4.5651 -4.5651 -3.8805 -3.8805 -2.4488 -2.4488 -1.4668 -1.4668
-1.0068 -1.0068 -0.9474 -0.9474 -0.0543 -0.0543 -0.0095 -0.0095
1.2204 1.2204 1.3407 1.3407 2.0882 2.0882 2.2264 2.2264
2.7426 2.7426 2.8426 2.8426 2.9838 2.9838 4.5011 4.5011
4.6224 4.6224 7.2911 7.2911 7.6898 7.6898 8.4428 8.4428
k = 0.0173-0.0500 0.0000 ( 3717 PWs) bands (ev):
-14.7878 -14.7878 -14.3509 -14.3509 -10.6074 -10.6074 -10.4617 -10.4617
-4.5689 -4.5689 -3.8841 -3.8841 -2.4528 -2.4528 -1.4654 -1.4654
-0.9981 -0.9981 -0.9412 -0.9412 -0.0440 -0.0440 -0.0115 -0.0115
1.2184 1.2184 1.3443 1.3443 2.1272 2.1272 2.2386 2.2386
2.7390 2.7390 2.8353 2.8353 2.9700 2.9700 4.5090 4.5090
4.6170 4.6170 7.2826 7.2826 7.6810 7.6810 8.4378 8.4378
k = 0.0115-0.0333 0.0000 ( 3723 PWs) bands (ev):
-14.7890 -14.7890 -14.3508 -14.3508 -10.6087 -10.6087 -10.4627 -10.4627
-4.5716 -4.5716 -3.8868 -3.8868 -2.4556 -2.4556 -1.4644 -1.4644
-0.9924 -0.9924 -0.9361 -0.9361 -0.0369 -0.0369 -0.0128 -0.0128
1.2170 1.2170 1.3469 1.3469 2.1561 2.1561 2.2484 2.2484
2.7355 2.7355 2.8295 2.8295 2.9596 2.9596 4.5148 4.5148
4.6130 4.6130 7.2764 7.2764 7.6746 7.6746 8.4341 8.4341
k = 0.0058-0.0167-0.0000 ( 3725 PWs) bands (ev):
-14.7897 -14.7897 -14.3508 -14.3508 -10.6094 -10.6094 -10.4633 -10.4633
-4.5732 -4.5732 -3.8884 -3.8884 -2.4573 -2.4573 -1.4638 -1.4638
-0.9893 -0.9893 -0.9328 -0.9328 -0.0329 -0.0329 -0.0134 -0.0134
1.2162 1.2162 1.3484 1.3484 2.1736 2.1736 2.2552 2.2552
2.7329 2.7329 2.8258 2.8258 2.9531 2.9531 4.5183 4.5183
4.6105 4.6105 7.2727 7.2727 7.6707 7.6707 8.4317 8.4317
k = 0.0000 0.0000 0.0000 ( 3723 PWs) bands (ev):
-14.7900 -14.7900 -14.3507 -14.3507 -10.6097 -10.6097 -10.4635 -10.4635
-4.5738 -4.5738 -3.8889 -3.8889 -2.4579 -2.4579 -1.4636 -1.4636
-0.9883 -0.9883 -0.9316 -0.9316 -0.0317 -0.0317 -0.0135 -0.0135
1.2159 1.2159 1.3489 1.3489 2.1794 2.1794 2.2576 2.2576
2.7320 2.7320 2.8245 2.8245 2.9510 2.9510 4.5195 4.5195
4.6097 4.6097 7.2714 7.2714 7.6694 7.6694 8.4309 8.4309
k = 0.0000 0.0000 0.0000 ( 3723 PWs) bands (ev):
-14.7900 -14.7900 -14.3507 -14.3507 -10.6097 -10.6097 -10.4635 -10.4635
-4.5738 -4.5738 -3.8889 -3.8889 -2.4579 -2.4579 -1.4636 -1.4636
-0.9883 -0.9883 -0.9316 -0.9316 -0.0317 -0.0317 -0.0135 -0.0135
1.2159 1.2159 1.3489 1.3489 2.1794 2.1794 2.2576 2.2576
2.7320 2.7320 2.8245 2.8245 2.9510 2.9510 4.5195 4.5195
4.6097 4.6097 7.2714 7.2714 7.6694 7.6694 8.4309 8.4309
k = 0.0106-0.0135-0.0017 ( 3726 PWs) bands (ev):
-14.7898 -14.7898 -14.3508 -14.3508 -10.6095 -10.6095 -10.4634 -10.4634
-4.5731 -4.5731 -3.8883 -3.8883 -2.4574 -2.4574 -1.4638 -1.4638
-0.9894 -0.9894 -0.9326 -0.9326 -0.0328 -0.0328 -0.0134 -0.0134
1.2160 1.2160 1.3487 1.3487 2.1743 2.1743 2.2552 2.2552
2.7331 2.7331 2.8258 2.8258 2.9530 2.9530 4.5185 4.5185
4.6103 4.6103 7.2726 7.2726 7.6705 7.6705 8.4319 8.4319
k = 0.0213-0.0270-0.0034 ( 3724 PWs) bands (ev):
-14.7891 -14.7891 -14.3508 -14.3508 -10.6090 -10.6090 -10.4630 -10.4630
-4.5710 -4.5710 -3.8866 -3.8866 -2.4558 -2.4558 -1.4647 -1.4647
-0.9928 -0.9928 -0.9356 -0.9356 -0.0365 -0.0365 -0.0129 -0.0129
1.2163 1.2163 1.3478 1.3478 2.1589 2.1589 2.2483 2.2483
2.7365 2.7365 2.8295 2.8295 2.9589 2.9589 4.5153 4.5153
4.6120 4.6120 7.2763 7.2763 7.6739 7.6739 8.4351 8.4351
k = 0.0319-0.0406-0.0051 ( 3721 PWs) bands (ev):
-14.7880 -14.7880 -14.3509 -14.3509 -10.6082 -10.6082 -10.4623 -10.4623
-4.5676 -4.5676 -3.8837 -3.8837 -2.4532 -2.4532 -1.4661 -1.4661
-0.9987 -0.9987 -0.9403 -0.9403 -0.0431 -0.0431 -0.0118 -0.0118
1.2168 1.2168 1.3465 1.3465 2.1336 2.1336 2.2383 2.2383
2.7414 2.7414 2.8351 2.8351 2.9687 2.9687 4.5101 4.5101
4.6148 4.6148 7.2823 7.2823 7.6794 7.6794 8.4402 8.4402
k = 0.0426-0.0541-0.0068 ( 3723 PWs) bands (ev):
-14.7864 -14.7864 -14.3511 -14.3511 -10.6071 -10.6071 -10.4614 -10.4614
-4.5628 -4.5628 -3.8797 -3.8797 -2.4496 -2.4496 -1.4681 -1.4681
-1.0072 -1.0072 -0.9465 -0.9465 -0.0525 -0.0525 -0.0100 -0.0100
1.2174 1.2174 1.3446 1.3446 2.0991 2.0991 2.2258 2.2258
2.7472 2.7472 2.8418 2.8418 2.9820 2.9820 4.5030 4.5030
4.6187 4.6187 7.2907 7.2907 7.6870 7.6870 8.4471 8.4471
k = 0.0532-0.0676-0.0085 ( 3720 PWs) bands (ev):
-14.7844 -14.7844 -14.3512 -14.3512 -10.6057 -10.6057 -10.4602 -10.4602
-4.5567 -4.5567 -3.8745 -3.8745 -2.4450 -2.4450 -1.4707 -1.4707
-1.0184 -1.0184 -0.9538 -0.9538 -0.0648 -0.0648 -0.0076 -0.0076
1.2181 1.2181 1.3423 1.3423 2.0570 2.0570 2.2114 2.2114
2.7534 2.7534 2.8492 2.8492 2.9983 2.9983 4.4941 4.4941
4.6234 4.6234 7.3014 7.3014 7.6966 7.6966 8.4555 8.4555
k = 0.0638-0.0811-0.0103 ( 3719 PWs) bands (ev):
-14.7820 -14.7820 -14.3515 -14.3515 -10.6040 -10.6040 -10.4587 -10.4587
-4.5492 -4.5492 -3.8683 -3.8683 -2.4394 -2.4394 -1.4740 -1.4740
-1.0324 -1.0324 -0.9620 -0.9620 -0.0799 -0.0799 -0.0050 -0.0050
1.2190 1.2190 1.3397 1.3397 2.0089 2.0089 2.1953 2.1953
2.7595 2.7595 2.8568 2.8568 3.0169 3.0169 4.4837 4.4837
4.6288 4.6288 7.3144 7.3144 7.7080 7.7080 8.4650 8.4650
k = 0.0745-0.0946-0.0120 ( 3717 PWs) bands (ev):
-14.7791 -14.7791 -14.3517 -14.3517 -10.6019 -10.6019 -10.4570 -10.4570
-4.5404 -4.5404 -3.8609 -3.8609 -2.4328 -2.4328 -1.4779 -1.4779
-1.0491 -1.0491 -0.9708 -0.9708 -0.0976 -0.0976 -0.0023 -0.0023
1.2198 1.2198 1.3368 1.3368 1.9562 1.9562 2.1774 2.1774
2.7654 2.7654 2.8646 2.8646 3.0368 3.0368 4.4720 4.4720
4.6346 4.6346 7.3296 7.3296 7.7210 7.7210 8.4751 8.4751
k = 0.0851-0.1081-0.0137 ( 3720 PWs) bands (ev):
-14.7758 -14.7758 -14.3521 -14.3521 -10.5996 -10.5996 -10.4551 -10.4551
-4.5303 -4.5303 -3.8525 -3.8525 -2.4254 -2.4254 -1.4826 -1.4826
-1.0683 -1.0683 -0.9804 -0.9804 -0.1178 -0.1178 0.0002 0.0002
1.2204 1.2204 1.3337 1.3337 1.9001 1.9001 2.1581 2.1581
2.7707 2.7707 2.8725 2.8725 3.0574 3.0574 4.4594 4.4594
4.6406 4.6406 7.3470 7.3470 7.7354 7.7354 8.4853 8.4853
k = 0.0957-0.1217-0.0154 ( 3723 PWs) bands (ev):
-14.7722 -14.7722 -14.3525 -14.3525 -10.5970 -10.5970 -10.4529 -10.4529
-4.5189 -4.5189 -3.8430 -3.8430 -2.4171 -2.4171 -1.4882 -1.4882
-1.0895 -1.0895 -0.9906 -0.9906 -0.1405 -0.1405 0.0024 0.0024
1.2208 1.2208 1.3307 1.3307 1.8416 1.8416 2.1373 2.1373
2.7755 2.7755 2.8805 2.8805 3.0781 3.0781 4.4461 4.4461
4.6466 4.6466 7.3663 7.3663 7.7511 7.7511 8.4950 8.4950
k = 0.1064-0.1352-0.0171 ( 3724 PWs) bands (ev):
-14.7681 -14.7681 -14.3529 -14.3529 -10.5941 -10.5941 -10.4505 -10.4505
-4.5063 -4.5063 -3.8325 -3.8325 -2.4079 -2.4079 -1.4946 -1.4946
-1.1124 -1.1124 -1.0016 -1.0016 -0.1654 -0.1654 0.0041 0.0041
1.2207 1.2207 1.3280 1.3280 1.7816 1.7816 2.1154 2.1154
2.7797 2.7797 2.8884 2.8884 3.0983 3.0983 4.4325 4.4325
4.6522 4.6522 7.3877 7.3877 7.7677 7.7677 8.5036 8.5036
k = 0.1170-0.1487-0.0188 ( 3721 PWs) bands (ev):
-14.7636 -14.7636 -14.3535 -14.3535 -10.5909 -10.5909 -10.4479 -10.4479
-4.4924 -4.4924 -3.8210 -3.8210 -2.3981 -2.3981 -1.5021 -1.5021
-1.1367 -1.1367 -1.0134 -1.0134 -0.1924 -0.1924 0.0050 0.0050
1.2199 1.2199 1.3259 1.3259 1.7207 1.7207 2.0925 2.0925
2.7833 2.7833 2.8963 2.8963 3.1178 3.1178 4.4189 4.4189
4.6573 4.6573 7.4107 7.4107 7.7852 7.7852 8.5104 8.5104
k = 0.1277-0.1622-0.0205 ( 3722 PWs) bands (ev):
-14.7587 -14.7587 -14.3541 -14.3541 -10.5874 -10.5874 -10.4451 -10.4451
-4.4773 -4.4773 -3.8085 -3.8085 -2.3875 -2.3875 -1.5106 -1.5106
-1.1618 -1.1618 -1.0260 -1.0260 -0.2214 -0.2214 0.0050 0.0050
1.2179 1.2179 1.3247 1.3247 1.6595 1.6595 2.0688 2.0688
2.7863 2.7863 2.9038 2.9038 3.1363 3.1363 4.4055 4.4055
4.6616 4.6616 7.4355 7.4355 7.8032 7.8032 8.5150 8.5150
k = 0.1383-0.1757-0.0222 ( 3722 PWs) bands (ev):
-14.7535 -14.7535 -14.3547 -14.3547 -10.5837 -10.5837 -10.4421 -10.4421
-4.4611 -4.4611 -3.7950 -3.7950 -2.3764 -2.3764 -1.5205 -1.5205
-1.1875 -1.1875 -1.0394 -1.0394 -0.2522 -0.2522 0.0038 0.0038
1.2147 1.2147 1.3245 1.3245 1.5989 1.5989 2.0444 2.0444
2.7889 2.7889 2.9109 2.9109 3.1537 3.1537 4.3926 4.3926
4.6650 4.6650 7.4617 7.4617 7.8215 7.8215 8.5169 8.5169
k = 0.1489-0.1892-0.0239 ( 3719 PWs) bands (ev):
-14.7479 -14.7479 -14.3555 -14.3555 -10.5798 -10.5798 -10.4390 -10.4390
-4.4437 -4.4437 -3.7807 -3.7807 -2.3648 -2.3648 -1.5317 -1.5317
-1.2132 -1.2132 -1.0538 -1.0538 -0.2846 -0.2846 0.0014 0.0014
1.2099 1.2099 1.3256 1.3256 1.5393 1.5393 2.0195 2.0195
2.7911 2.7911 2.9175 2.9175 3.1700 3.1700 4.3804 4.3804
4.6672 4.6672 7.4893 7.4893 7.8399 7.8399 8.5160 8.5160
k = 0.1596-0.2028-0.0256 ( 3720 PWs) bands (ev):
-14.7420 -14.7420 -14.3564 -14.3564 -10.5756 -10.5756 -10.4356 -10.4356
-4.4253 -4.4253 -3.7655 -3.7655 -2.3529 -2.3529 -1.5445 -1.5445
-1.2386 -1.2386 -1.0691 -1.0691 -0.3185 -0.3185 -0.0025 -0.0025
1.2032 1.2032 1.3276 1.3276 1.4818 1.4818 1.9942 1.9942
2.7929 2.7929 2.9233 2.9233 3.1850 3.1850 4.3692 4.3692
4.6682 4.6682 7.5180 7.5180 7.8582 7.8582 8.5121 8.5121
k = 0.1702-0.2163-0.0273 ( 3724 PWs) bands (ev):
-14.7358 -14.7358 -14.3573 -14.3573 -10.5712 -10.5712 -10.4321 -10.4321
-4.4058 -4.4058 -3.7495 -3.7495 -2.3407 -2.3407 -1.5589 -1.5589
-1.2633 -1.2633 -1.0853 -1.0853 -0.3537 -0.3537 -0.0079 -0.0079
1.1947 1.1947 1.3294 1.3294 1.4281 1.4281 1.9687 1.9687
2.7945 2.7945 2.9283 2.9283 3.1987 3.1987 4.3590 4.3590
4.6679 4.6679 7.5476 7.5476 7.8760 7.8760 8.5056 8.5056
k = 0.1809-0.2298-0.0291 ( 3726 PWs) bands (ev):
-14.7292 -14.7292 -14.3584 -14.3584 -10.5666 -10.5666 -10.4285 -10.4285
-4.3852 -4.3852 -3.7327 -3.7327 -2.3285 -2.3285 -1.5750 -1.5750
-1.2869 -1.2869 -1.1024 -1.1024 -0.3899 -0.3899 -0.0150 -0.0150
1.1841 1.1841 1.3249 1.3249 1.3849 1.3849 1.9431 1.9431
2.7957 2.7957 2.9323 2.9323 3.2110 3.2110 4.3499 4.3499
4.6663 4.6663 7.5780 7.5780 7.8930 7.8930 8.4968 8.4968
k = 0.1915-0.2433-0.0308 ( 3726 PWs) bands (ev):
-14.7223 -14.7223 -14.3596 -14.3596 -10.5618 -10.5618 -10.4248 -10.4248
-4.3637 -4.3637 -3.7153 -3.7153 -2.3164 -2.3164 -1.5927 -1.5927
-1.3091 -1.3091 -1.1204 -1.1204 -0.4270 -0.4270 -0.0239 -0.0239
1.1710 1.1710 1.2979 1.2979 1.3691 1.3691 1.9175 1.9175
2.7968 2.7968 2.9354 2.9354 3.2221 3.2221 4.3421 4.3421
4.6633 4.6633 7.6089 7.6089 7.9089 7.9089 8.4862 8.4862
k = 0.2021-0.2568-0.0325 ( 3724 PWs) bands (ev):
-14.7152 -14.7152 -14.3610 -14.3610 -10.5569 -10.5569 -10.4209 -10.4209
-4.3413 -4.3413 -3.6972 -3.6972 -2.3047 -2.3047 -1.6118 -1.6118
-1.3299 -1.3299 -1.1394 -1.1394 -0.4646 -0.4646 -0.0346 -0.0346
1.1544 1.1544 1.2576 1.2576 1.3728 1.3728 1.8921 1.8921
2.7977 2.7977 2.9375 2.9375 3.2319 3.2319 4.3353 4.3353
4.6592 4.6592 7.6403 7.6403 7.9234 7.9234 8.4742 8.4742
k = 0.2128-0.2703-0.0342 ( 3724 PWs) bands (ev):
-14.7078 -14.7078 -14.3624 -14.3624 -10.5518 -10.5518 -10.4170 -10.4170
-4.3180 -4.3180 -3.6785 -3.6785 -2.2937 -2.2937 -1.6321 -1.6321
-1.3491 -1.3491 -1.1592 -1.1592 -0.5026 -0.5026 -0.0472 -0.0472
1.1328 1.1328 1.2195 1.2195 1.3824 1.3824 1.8670 1.8670
2.7984 2.7984 2.9386 2.9386 3.2403 3.2403 4.3297 4.3297
4.6539 4.6539 7.6717 7.6717 7.9361 7.9361 8.4614 8.4614
k = 0.2234-0.2839-0.0359 ( 3723 PWs) bands (ev):
-14.7002 -14.7002 -14.3640 -14.3640 -10.5466 -10.5466 -10.4130 -10.4130
-4.2939 -4.2939 -3.6593 -3.6593 -2.2837 -2.2837 -1.6531 -1.6531
-1.3668 -1.3668 -1.1798 -1.1798 -0.5406 -0.5406 -0.0617 -0.0617
1.1044 1.1044 1.1885 1.1885 1.3948 1.3948 1.8423 1.8423
2.7989 2.7989 2.9388 2.9388 3.2474 3.2474 4.3249 4.3249
4.6477 4.6477 7.7030 7.7030 7.9465 7.9465 8.4481 8.4481
k = 0.2340-0.2974-0.0376 ( 3721 PWs) bands (ev):
-14.6923 -14.6923 -14.3657 -14.3657 -10.5413 -10.5413 -10.4089 -10.4089
-4.2690 -4.2690 -3.6396 -3.6396 -2.2751 -2.2751 -1.6742 -1.6742
-1.3831 -1.3831 -1.2013 -1.2013 -0.5786 -0.5786 -0.0781 -0.0781
1.0706 1.0706 1.1646 1.1646 1.4092 1.4092 1.8180 1.8180
2.7993 2.7993 2.9379 2.9379 3.2531 3.2531 4.3209 4.3209
4.6407 4.6407 7.7341 7.7341 7.9543 7.9543 8.4347 8.4347
k = 0.2447-0.3109-0.0393 ( 3721 PWs) bands (ev):
-14.6843 -14.6843 -14.3676 -14.3676 -10.5359 -10.5359 -10.4048 -10.4048
-4.2434 -4.2434 -3.6196 -3.6196 -2.2683 -2.2683 -1.6947 -1.6947
-1.3983 -1.3983 -1.2234 -1.2234 -0.6161 -0.6161 -0.0964 -0.0964
1.0344 1.0344 1.1450 1.1450 1.4254 1.4254 1.7942 1.7942
2.7996 2.7996 2.9362 2.9362 3.2575 3.2575 4.3174 4.3174
4.6333 4.6333 7.7646 7.7646 7.9593 7.9593 8.4210 8.4210
k = 0.2553-0.3244-0.0410 ( 3726 PWs) bands (ev):
-14.6760 -14.6760 -14.3697 -14.3697 -10.5304 -10.5304 -10.4007 -10.4007
-4.2171 -4.2171 -3.5994 -3.5994 -2.2638 -2.2638 -1.7141 -1.7141
-1.4126 -1.4126 -1.2462 -1.2462 -0.6529 -0.6529 -0.1165 -0.1165
0.9980 0.9980 1.1278 1.1278 1.4430 1.4430 1.7711 1.7711
2.7997 2.7997 2.9336 2.9336 3.2604 3.2604 4.3141 4.3141
4.6257 4.6257 7.7942 7.7942 7.9612 7.9612 8.4068 8.4068
k = 0.2660-0.3379-0.0427 ( 3728 PWs) bands (ev):
-14.6676 -14.6676 -14.3720 -14.3720 -10.5249 -10.5249 -10.3966 -10.3966
-4.1903 -4.1903 -3.5790 -3.5790 -2.2620 -2.2620 -1.7315 -1.7315
-1.4262 -1.4262 -1.2693 -1.2693 -0.6888 -0.6888 -0.1384 -0.1384
0.9629 0.9629 1.1117 1.1117 1.4621 1.4621 1.7486 1.7486
2.7996 2.7996 2.9302 2.9302 3.2620 3.2620 4.3107 4.3107
4.6182 4.6182 7.8226 7.8226 7.9601 7.9601 8.3914 8.3914
k = 0.2766-0.3514-0.0444 ( 3729 PWs) bands (ev):
-14.6590 -14.6590 -14.3744 -14.3744 -10.5194 -10.5194 -10.3925 -10.3925
-4.1629 -4.1629 -3.5585 -3.5585 -2.2634 -2.2634 -1.7465 -1.7465
-1.4395 -1.4395 -1.2925 -1.2925 -0.7235 -0.7235 -0.1618 -0.1618
0.9295 0.9295 1.0963 1.0963 1.4826 1.4826 1.7269 1.7269
2.7994 2.7994 2.9262 2.9262 3.2621 3.2621 4.3069 4.3069
4.6114 4.6114 7.8492 7.8492 7.9562 7.9562 8.3740 8.3740
k = 0.2872-0.3650-0.0461 ( 3729 PWs) bands (ev):
-14.6503 -14.6503 -14.3770 -14.3770 -10.5139 -10.5139 -10.3885 -10.3885
-4.1351 -4.1351 -3.5382 -3.5382 -2.2681 -2.2681 -1.7584 -1.7584
-1.4529 -1.4529 -1.3156 -1.3156 -0.7568 -0.7568 -0.1867 -0.1867
0.8982 0.8982 1.0814 1.0814 1.5044 1.5044 1.7061 1.7061
2.7990 2.7990 2.9215 2.9215 3.2608 3.2608 4.3024 4.3024
4.6054 4.6054 7.8729 7.8729 7.9505 7.9505 8.3541 8.3541
k = 0.2979-0.3785-0.0479 ( 3731 PWs) bands (ev):
-14.6416 -14.6416 -14.3799 -14.3799 -10.5084 -10.5084 -10.3845 -10.3845
-4.1069 -4.1069 -3.5180 -3.5180 -2.2763 -2.2763 -1.7671 -1.7671
-1.4668 -1.4668 -1.3380 -1.3380 -0.7885 -0.7885 -0.2129 -0.2129
0.8690 0.8690 1.0669 1.0669 1.5274 1.5274 1.6861 1.6861
2.7983 2.7983 2.9162 2.9162 3.2581 3.2581 4.2968 4.2968
4.6007 4.6007 7.8915 7.8915 7.9453 7.9453 8.3318 8.3318
k = 0.3085-0.3920-0.0496 ( 3730 PWs) bands (ev):
-14.6327 -14.6327 -14.3829 -14.3829 -10.5030 -10.5030 -10.3806 -10.3806
-4.0784 -4.0784 -3.4981 -3.4981 -2.2880 -2.2880 -1.7725 -1.7725
-1.4818 -1.4818 -1.3592 -1.3592 -0.8183 -0.8183 -0.2403 -0.2403
0.8420 0.8420 1.0528 1.0528 1.5512 1.5512 1.6674 1.6674
2.7975 2.7975 2.9105 2.9105 3.2539 3.2539 4.2902 4.2902
4.5973 4.5973 7.8989 7.8989 7.9462 7.9462 8.3082 8.3082
k = 0.3191-0.4055-0.0513 ( 3728 PWs) bands (ev):
-14.6237 -14.6237 -14.3861 -14.3861 -10.4977 -10.4977 -10.3767 -10.3767
-4.0497 -4.0497 -3.4788 -3.4788 -2.3027 -2.3027 -1.7749 -1.7749
-1.4982 -1.4982 -1.3785 -1.3785 -0.8460 -0.8460 -0.2686 -0.2686
0.8171 0.8171 1.0392 1.0392 1.5752 1.5752 1.6505 1.6505
2.7964 2.7964 2.9043 2.9043 3.2484 3.2484 4.2824 4.2824
4.5956 4.5956 7.8931 7.8931 7.9551 7.9551 8.2849 8.2849
k = 0.3298-0.4190-0.0530 ( 3727 PWs) bands (ev):
-14.6147 -14.6147 -14.3896 -14.3896 -10.4925 -10.4925 -10.3730 -10.3730
-4.0208 -4.0208 -3.4601 -3.4601 -2.3199 -2.3199 -1.7746 -1.7746
-1.5164 -1.5164 -1.3955 -1.3955 -0.8715 -0.8715 -0.2976 -0.2976
0.7941 0.7941 1.0261 1.0261 1.5963 1.5963 1.6384 1.6384
2.7949 2.7949 2.8978 2.8978 3.2415 3.2415 4.2735 4.2735
4.5954 4.5954 7.8802 7.8802 7.9654 7.9654 8.2640 8.2640
k = 0.3404-0.4325-0.0547 ( 3727 PWs) bands (ev):
-14.6057 -14.6057 -14.3932 -14.3932 -10.4875 -10.4875 -10.3694 -10.3694
-3.9919 -3.9919 -3.4422 -3.4422 -2.3391 -2.3391 -1.7723 -1.7723
-1.5364 -1.5364 -1.4100 -1.4100 -0.8946 -0.8946 -0.3273 -0.3273
0.7731 0.7731 1.0136 1.0136 1.6012 1.6012 1.6443 1.6443
2.7932 2.7932 2.8910 2.8910 3.2334 3.2334 4.2635 4.2635
4.5967 4.5967 7.8642 7.8642 7.9723 7.9723 8.2472 8.2472
k = 0.3511-0.4461-0.0564 ( 3730 PWs) bands (ev):
-14.5967 -14.5967 -14.3971 -14.3971 -10.4826 -10.4826 -10.3660 -10.3660
-3.9631 -3.9631 -3.4254 -3.4254 -2.3597 -2.3597 -1.7685 -1.7685
-1.5580 -1.5580 -1.4220 -1.4220 -0.9152 -0.9152 -0.3573 -0.3573
0.7538 0.7538 1.0016 1.0016 1.5905 1.5905 1.6674 1.6674
2.7910 2.7910 2.8839 2.8839 3.2241 3.2241 4.2529 4.2529
4.5993 4.5993 7.8467 7.8467 7.9741 7.9741 8.2360 8.2360
k = 0.3617-0.4596-0.0581 ( 3727 PWs) bands (ev):
-14.5877 -14.5877 -14.4013 -14.4013 -10.4780 -10.4780 -10.3627 -10.3627
-3.9345 -3.9345 -3.4097 -3.4097 -2.3809 -2.3809 -1.7639 -1.7639
-1.5805 -1.5805 -1.4319 -1.4319 -0.9331 -0.9331 -0.3874 -0.3874
0.7363 0.7363 0.9903 0.9903 1.5772 1.5772 1.6949 1.6949
2.7883 2.7883 2.8767 2.8767 3.2139 3.2139 4.2418 4.2418
4.6030 4.6030 7.8283 7.8283 7.9704 7.9704 8.2309 8.2309
k = 0.3723-0.4731-0.0598 ( 3730 PWs) bands (ev):
-14.5788 -14.5788 -14.4056 -14.4056 -10.4735 -10.4735 -10.3596 -10.3596
-3.9062 -3.9062 -3.3955 -3.3955 -2.4023 -2.4023 -1.7591 -1.7591
-1.6030 -1.6030 -1.4400 -1.4400 -0.9483 -0.9483 -0.4176 -0.4176
0.7204 0.7204 0.9797 0.9797 1.5639 1.5639 1.7237 1.7237
2.7850 2.7850 2.8694 2.8694 3.2028 3.2028 4.2305 4.2305
4.6075 4.6075 7.8096 7.8096 7.9619 7.9619 8.2314 8.2314
k = 0.3830-0.4866-0.0615 ( 3726 PWs) bands (ev):
-14.5698 -14.5698 -14.4102 -14.4102 -10.4694 -10.4694 -10.3567 -10.3567
-3.8784 -3.8784 -3.3828 -3.3828 -2.4232 -2.4232 -1.7550 -1.7550
-1.6246 -1.6246 -1.4468 -1.4468 -0.9607 -0.9607 -0.4474 -0.4474
0.7060 0.7060 0.9699 0.9699 1.5514 1.5514 1.7530 1.7530
2.7810 2.7810 2.8622 2.8622 3.1913 3.1913 4.2193 4.2193
4.6127 4.6127 7.7910 7.7910 7.9502 7.9502 8.2361 8.2361
k = 0.3936-0.5001-0.0632 ( 3727 PWs) bands (ev):
-14.5610 -14.5610 -14.4150 -14.4150 -10.4655 -10.4655 -10.3539 -10.3539
-3.8513 -3.8513 -3.3718 -3.3718 -2.4432 -2.4432 -1.7525 -1.7525
-1.6442 -1.6442 -1.4524 -1.4524 -0.9703 -0.9703 -0.4768 -0.4768
0.6931 0.6931 0.9608 0.9608 1.5396 1.5396 1.7823 1.7823
2.7762 2.7762 2.8552 2.8552 3.1796 3.1796 4.2085 4.2085
4.6182 4.6182 7.7727 7.7727 7.9367 7.9367 8.2436 8.2436
k = 0.4043-0.5137-0.0649 ( 3728 PWs) bands (ev):
-14.5523 -14.5523 -14.4200 -14.4200 -10.4618 -10.4618 -10.3515 -10.3515
-3.8251 -3.8251 -3.3626 -3.3626 -2.4620 -2.4620 -1.7529 -1.7529
-1.6603 -1.6603 -1.4572 -1.4572 -0.9771 -0.9771 -0.5054 -0.5054
0.6816 0.6816 0.9526 0.9526 1.5288 1.5288 1.8113 1.8113
2.7705 2.7705 2.8486 2.8486 3.1679 3.1679 4.1983 4.1983
4.6238 4.6238 7.7551 7.7551 7.9226 7.9226 8.2526 8.2526
k = 0.4149-0.5272-0.0667 ( 3729 PWs) bands (ev):
-14.5437 -14.5437 -14.4253 -14.4253 -10.4586 -10.4586 -10.3492 -10.3492
-3.8000 -3.8000 -3.3553 -3.3553 -2.4791 -2.4791 -1.7572 -1.7572
-1.6717 -1.6717 -1.4614 -1.4614 -0.9813 -0.9813 -0.5330 -0.5330
0.6715 0.6715 0.9451 0.9451 1.5191 1.5191 1.8396 1.8396
2.7638 2.7638 2.8425 2.8425 3.1565 3.1565 4.1888 4.1888
4.6293 4.6293 7.7384 7.7384 7.9089 7.9089 8.2622 8.2622
k = 0.4255-0.5407-0.0684 ( 3728 PWs) bands (ev):
-14.5352 -14.5352 -14.4308 -14.4308 -10.4556 -10.4556 -10.3472 -10.3472
-3.7763 -3.7763 -3.3499 -3.3499 -2.4944 -2.4944 -1.7655 -1.7655
-1.6780 -1.6780 -1.4651 -1.4651 -0.9831 -0.9831 -0.5593 -0.5593
0.6626 0.6626 0.9385 0.9385 1.5104 1.5104 1.8665 1.8665
2.7562 2.7562 2.8372 2.8372 3.1458 3.1458 4.1802 4.1802
4.6346 4.6346 7.7231 7.7231 7.8961 7.8961 8.2718 8.2718
k = 0.4362-0.5542-0.0701 ( 3721 PWs) bands (ev):
-14.5269 -14.5269 -14.4364 -14.4364 -10.4530 -10.4530 -10.3454 -10.3454
-3.7544 -3.7544 -3.3462 -3.3462 -2.5077 -2.5077 -1.7763 -1.7763
-1.6805 -1.6805 -1.4682 -1.4682 -0.9828 -0.9828 -0.5838 -0.5838
0.6550 0.6550 0.9328 0.9328 1.5029 1.5029 1.8918 1.8918
2.7481 2.7481 2.8326 2.8326 3.1361 3.1361 4.1727 4.1727
4.6395 4.6395 7.7092 7.7092 7.8847 7.8847 8.2809 8.2809
k = 0.4468-0.5677-0.0718 ( 3717 PWs) bands (ev):
-14.5188 -14.5188 -14.4422 -14.4422 -10.4508 -10.4508 -10.3439 -10.3439
-3.7347 -3.7347 -3.3440 -3.3440 -2.5189 -2.5189 -1.7879 -1.7879
-1.6807 -1.6807 -1.4710 -1.4710 -0.9809 -0.9809 -0.6062 -0.6062
0.6487 0.6487 0.9279 0.9279 1.4964 1.4964 1.9146 1.9146
2.7397 2.7397 2.8289 2.8289 3.1276 3.1276 4.1662 4.1662
4.6439 4.6439 7.6971 7.6971 7.8748 7.8748 8.2890 8.2890
k = 0.4574-0.5812-0.0735 ( 3713 PWs) bands (ev):
-14.5111 -14.5111 -14.4482 -14.4482 -10.4489 -10.4489 -10.3426 -10.3426
-3.7175 -3.7175 -3.3431 -3.3431 -2.5280 -2.5280 -1.7988 -1.7988
-1.6799 -1.6799 -1.4733 -1.4733 -0.9779 -0.9779 -0.6258 -0.6258
0.6435 0.6435 0.9239 0.9239 1.4911 1.4911 1.9346 1.9346
2.7316 2.7316 2.8260 2.8260 3.1204 3.1204 4.1609 4.1609
4.6476 4.6476 7.6870 7.6870 7.8666 7.8666 8.2959 8.2959
k = 0.4681-0.5948-0.0752 ( 3716 PWs) bands (ev):
-14.5037 -14.5037 -14.4541 -14.4541 -10.4475 -10.4475 -10.3416 -10.3416
-3.7035 -3.7035 -3.3431 -3.3431 -2.5350 -2.5350 -1.8079 -1.8079
-1.6788 -1.6788 -1.4752 -1.4752 -0.9744 -0.9744 -0.6421 -0.6421
0.6395 0.6395 0.9208 0.9208 1.4870 1.4870 1.9509 1.9509
2.7243 2.7243 2.8238 2.8238 3.1147 3.1147 4.1566 4.1566
4.6506 4.6506 7.6789 7.6789 7.8601 7.8601 8.3015 8.3015
k = 0.4787-0.6083-0.0769 ( 3717 PWs) bands (ev):
-14.4969 -14.4969 -14.4598 -14.4598 -10.4465 -10.4465 -10.3409 -10.3409
-3.6931 -3.6931 -3.3435 -3.3435 -2.5399 -2.5399 -1.8148 -1.8148
-1.6778 -1.6778 -1.4766 -1.4766 -0.9713 -0.9713 -0.6544 -0.6544
0.6366 0.6366 0.9185 0.9185 1.4840 1.4840 1.9631 1.9631
2.7186 2.7186 2.8222 2.8222 3.1105 3.1105 4.1536 4.1536
4.6527 4.6527 7.6730 7.6730 7.8554 7.8554 8.3056 8.3056
k = 0.4894-0.6218-0.0786 ( 3716 PWs) bands (ev):
-14.4916 -14.4916 -14.4645 -14.4645 -10.4458 -10.4458 -10.3405 -10.3405
-3.6866 -3.6866 -3.3439 -3.3439 -2.5428 -2.5428 -1.8191 -1.8191
-1.6771 -1.6771 -1.4775 -1.4775 -0.9690 -0.9690 -0.6621 -0.6621
0.6349 0.6349 0.9172 0.9172 1.4822 1.4822 1.9707 1.9707
2.7150 2.7150 2.8213 2.8213 3.1080 3.1080 4.1518 4.1518
4.6541 4.6541 7.6695 7.6695 7.8527 7.8527 8.3081 8.3081
k = 0.5000-0.6353-0.0803 ( 3716 PWs) bands (ev):
-14.4893 -14.4893 -14.4666 -14.4666 -10.4456 -10.4456 -10.3403 -10.3403
-3.6844 -3.6844 -3.3440 -3.3440 -2.5438 -2.5438 -1.8205 -1.8205
-1.6769 -1.6769 -1.4778 -1.4778 -0.9682 -0.9682 -0.6647 -0.6647
0.6343 0.6343 0.9167 0.9167 1.4816 1.4816 1.9732 1.9732
2.7137 2.7137 2.8210 2.8210 3.1072 3.1072 4.1512 4.1512
4.6545 4.6545 7.6683 7.6683 7.8517 7.8517 8.3089 8.3089
k = 0.5000-0.6353 0.3895 ( 3744 PWs) bands (ev):
-14.4846 -14.4846 -14.4699 -14.4699 -10.4365 -10.4365 -10.3485 -10.3485
-3.7133 -3.7133 -3.2743 -3.2743 -2.7337 -2.7337 -2.1470 -2.1470
-1.6878 -1.6878 -1.5669 -1.5669 -0.4796 -0.4796 -0.1991 -0.1991
0.5622 0.5622 0.8244 0.8244 1.5254 1.5254 2.0360 2.0360
2.6087 2.6087 2.8163 2.8163 3.1049 3.1049 4.3433 4.3433
4.4306 4.4306 7.5759 7.5759 7.6203 7.6203 8.0930 8.0930
k = 0.4902-0.6228 0.3819 ( 3741 PWs) bands (ev):
-14.4869 -14.4869 -14.4678 -14.4678 -10.4371 -10.4371 -10.3483 -10.3483
-3.7148 -3.7148 -3.2752 -3.2752 -2.7318 -2.7318 -2.1458 -2.1458
-1.6877 -1.6877 -1.5660 -1.5660 -0.4796 -0.4796 -0.1998 -0.1998
0.5629 0.5629 0.8248 0.8248 1.5261 1.5261 2.0340 2.0340
2.6101 2.6101 2.8164 2.8164 3.1056 3.1056 4.3434 4.3434
4.4307 4.4307 7.5772 7.5772 7.6211 7.6211 8.0931 8.0931
k = 0.4804-0.6104 0.3742 ( 3735 PWs) bands (ev):
-14.4919 -14.4919 -14.4634 -14.4634 -10.4387 -10.4387 -10.3476 -10.3476
-3.7194 -3.7194 -3.2776 -3.2776 -2.7261 -2.7261 -2.1425 -2.1425
-1.6876 -1.6876 -1.5634 -1.5634 -0.4796 -0.4796 -0.2020 -0.2020
0.5647 0.5647 0.8257 0.8257 1.5280 1.5280 2.0283 2.0283
2.6144 2.6144 2.8165 2.8165 3.1077 3.1077 4.3438 4.3438
4.4310 4.4310 7.5809 7.5809 7.6235 7.6235 8.0937 8.0937
k = 0.4706-0.5979 0.3666 ( 3733 PWs) bands (ev):
-14.4978 -14.4978 -14.4583 -14.4583 -10.4412 -10.4412 -10.3465 -10.3465
-3.7268 -3.7268 -3.2818 -3.2818 -2.7166 -2.7166 -2.1371 -2.1371
-1.6874 -1.6874 -1.5590 -1.5590 -0.4797 -0.4797 -0.2054 -0.2054
0.5678 0.5678 0.8274 0.8274 1.5311 1.5311 2.0189 2.0189
2.6212 2.6212 2.8167 2.8167 3.1110 3.1110 4.3444 4.3444
4.4316 4.4316 7.5872 7.5872 7.6274 7.6274 8.0946 8.0946
k = 0.4608-0.5855 0.3590 ( 3731 PWs) bands (ev):
-14.5042 -14.5042 -14.4532 -14.4532 -10.4447 -10.4447 -10.3452 -10.3452
-3.7370 -3.7370 -3.2875 -3.2875 -2.7035 -2.7035 -2.1298 -2.1298
-1.6868 -1.6868 -1.5530 -1.5530 -0.4800 -0.4800 -0.2100 -0.2100
0.5722 0.5722 0.8298 0.8298 1.5354 1.5354 2.0063 2.0063
2.6302 2.6302 2.8170 2.8170 3.1157 3.1157 4.3449 4.3449
4.4327 4.4327 7.5957 7.5957 7.6329 7.6329 8.0960 8.0960
k = 0.4510-0.5730 0.3513 ( 3730 PWs) bands (ev):
-14.5109 -14.5109 -14.4481 -14.4481 -10.4489 -10.4489 -10.3437 -10.3437
-3.7498 -3.7498 -3.2949 -3.2949 -2.6870 -2.6870 -2.1206 -2.1206
-1.6859 -1.6859 -1.5455 -1.5455 -0.4807 -0.4807 -0.2153 -0.2153
0.5777 0.5777 0.8329 0.8329 1.5407 1.5407 1.9911 1.9911
2.6410 2.6410 2.8174 2.8174 3.1215 3.1215 4.3451 4.3451
4.4345 4.4345 7.6064 7.6064 7.6399 7.6399 8.0981 8.0981
k = 0.4412-0.5606 0.3437 ( 3732 PWs) bands (ev):
-14.5178 -14.5178 -14.4431 -14.4431 -10.4538 -10.4538 -10.3421 -10.3421
-3.7647 -3.7647 -3.3039 -3.3039 -2.6673 -2.6673 -2.1098 -2.1098
-1.6843 -1.6843 -1.5367 -1.5367 -0.4822 -0.4822 -0.2210 -0.2210
0.5845 0.5845 0.8368 0.8368 1.5471 1.5471 1.9736 1.9736
2.6531 2.6531 2.8179 2.8179 3.1283 3.1283 4.3447 4.3447
4.4374 4.4374 7.6190 7.6190 7.6485 7.6485 8.1011 8.1011
k = 0.4314-0.5481 0.3360 ( 3736 PWs) bands (ev):
-14.5249 -14.5249 -14.4383 -14.4383 -10.4592 -10.4592 -10.3405 -10.3405
-3.7817 -3.7817 -3.3143 -3.3143 -2.6447 -2.6447 -2.0977 -2.0977
-1.6819 -1.6819 -1.5266 -1.5266 -0.4846 -0.4846 -0.2267 -0.2267
0.5926 0.5926 0.8416 0.8416 1.5543 1.5543 1.9544 1.9544
2.6662 2.6662 2.8185 2.8185 3.1360 3.1360 4.3436 4.3436
4.4414 4.4414 7.6331 7.6331 7.6587 7.6587 8.1053 8.1053
k = 0.4216-0.5357 0.3284 ( 3735 PWs) bands (ev):
-14.5322 -14.5322 -14.4336 -14.4336 -10.4651 -10.4651 -10.3391 -10.3391
-3.8004 -3.8004 -3.3261 -3.3261 -2.6194 -2.6194 -2.0845 -2.0845
-1.6785 -1.6785 -1.5155 -1.5155 -0.4882 -0.4882 -0.2318 -0.2318
0.6019 0.6019 0.8472 0.8472 1.5624 1.5624 1.9338 1.9338
2.6798 2.6798 2.8192 2.8192 3.1446 3.1446 4.3415 4.3415
4.4467 4.4467 7.6482 7.6482 7.6708 7.6708 8.1108 8.1108
k = 0.4118-0.5232 0.3208 ( 3734 PWs) bands (ev):
-14.5396 -14.5396 -14.4290 -14.4290 -10.4712 -10.4712 -10.3378 -10.3378
-3.8206 -3.8206 -3.3392 -3.3392 -2.5917 -2.5917 -2.0707 -2.0707
-1.6739 -1.6739 -1.5033 -1.5033 -0.4934 -0.4934 -0.2359 -0.2359
0.6124 0.6124 0.8538 0.8538 1.5711 1.5711 1.9124 1.9124
2.6936 2.6936 2.8201 2.8201 3.1539 3.1539 4.3384 4.3384
4.4535 4.4535 7.6635 7.6635 7.6850 7.6850 8.1180 8.1180
k = 0.4020-0.5107 0.3131 ( 3734 PWs) bands (ev):
-14.5471 -14.5471 -14.4247 -14.4247 -10.4777 -10.4777 -10.3368 -10.3368
-3.8421 -3.8421 -3.3535 -3.3535 -2.5618 -2.5618 -2.0566 -2.0566
-1.6679 -1.6679 -1.4903 -1.4903 -0.5003 -0.5003 -0.2386 -0.2386
0.6243 0.6243 0.8613 0.8613 1.5803 1.5803 1.8905 1.8905
2.7072 2.7072 2.8213 2.8213 3.1636 3.1636 4.3343 4.3343
4.4617 4.4617 7.6785 7.6785 7.7013 7.7013 8.1273 8.1273
k = 0.3922-0.4983 0.3055 ( 3733 PWs) bands (ev):
-14.5548 -14.5548 -14.4205 -14.4205 -10.4843 -10.4843 -10.3360 -10.3360
-3.8646 -3.8646 -3.3688 -3.3688 -2.5302 -2.5302 -2.0425 -2.0425
-1.6601 -1.6601 -1.4764 -1.4764 -0.5090 -0.5090 -0.2395 -0.2395
0.6374 0.6374 0.8697 0.8697 1.5898 1.5898 1.8685 1.8685
2.7205 2.7205 2.8227 2.8227 3.1736 3.1736 4.3294 4.3294
4.4711 4.4711 7.6927 7.6927 7.7196 7.7196 8.1389 8.1389
k = 0.3824-0.4858 0.2979 ( 3734 PWs) bands (ev):
-14.5627 -14.5627 -14.4164 -14.4164 -10.4911 -10.4911 -10.3355 -10.3355
-3.8880 -3.8880 -3.3850 -3.3850 -2.4970 -2.4970 -2.0288 -2.0288
-1.6505 -1.6505 -1.4619 -1.4619 -0.5195 -0.5195 -0.2385 -0.2385
0.6519 0.6519 0.8791 0.8791 1.5994 1.5994 1.8468 1.8468
2.7331 2.7331 2.8244 2.8244 3.1839 3.1839 4.3237 4.3237
4.4816 4.4816 7.7062 7.7062 7.7393 7.7393 8.1531 8.1531
k = 0.3725-0.4734 0.2902 ( 3730 PWs) bands (ev):
-14.5706 -14.5706 -14.4125 -14.4125 -10.4980 -10.4980 -10.3353 -10.3353
-3.9122 -3.9122 -3.4020 -3.4020 -2.4626 -2.4626 -2.0159 -2.0159
-1.6388 -1.6388 -1.4467 -1.4467 -0.5313 -0.5313 -0.2355 -0.2355
0.6678 0.6678 0.8895 0.8895 1.6088 1.6088 1.8258 1.8258
2.7449 2.7449 2.8266 2.8266 3.1942 3.1942 4.3176 4.3176
4.4930 4.4930 7.7188 7.7188 7.7598 7.7598 8.1704 8.1704
k = 0.3627-0.4609 0.2826 ( 3729 PWs) bands (ev):
-14.5786 -14.5786 -14.4088 -14.4088 -10.5049 -10.5049 -10.3355 -10.3355
-3.9369 -3.9369 -3.4196 -3.4196 -2.4274 -2.4274 -2.0040 -2.0040
-1.6250 -1.6250 -1.4311 -1.4311 -0.5442 -0.5442 -0.2307 -0.2307
0.6852 0.6852 0.9007 0.9007 1.6175 1.6175 1.8062 1.8062
2.7556 2.7556 2.8293 2.8293 3.2043 3.2043 4.3110 4.3110
4.5051 4.5051 7.7302 7.7302 7.7808 7.7808 8.1909 8.1909
k = 0.3529-0.4485 0.2749 ( 3728 PWs) bands (ev):
-14.5867 -14.5867 -14.4052 -14.4052 -10.5118 -10.5118 -10.3360 -10.3360
-3.9620 -3.9620 -3.4378 -3.4378 -2.3915 -2.3915 -1.9933 -1.9933
-1.6088 -1.6088 -1.4151 -1.4151 -0.5576 -0.5576 -0.2244 -0.2244
0.7041 0.7041 0.9128 0.9128 1.6248 1.6248 1.7886 1.7886
2.7651 2.7651 2.8327 2.8327 3.2142 3.2142 4.3042 4.3042
4.5178 4.5178 7.7400 7.7400 7.8020 7.8020 8.2147 8.2147
k = 0.3431-0.4360 0.2673 ( 3730 PWs) bands (ev):
-14.5948 -14.5948 -14.4018 -14.4018 -10.5186 -10.5186 -10.3369 -10.3369
-3.9875 -3.9875 -3.4564 -3.4564 -2.3556 -2.3556 -1.9839 -1.9839
-1.5905 -1.5905 -1.3988 -1.3988 -0.5711 -0.5711 -0.2166 -0.2166
0.7246 0.7246 0.9258 0.9258 1.6296 1.6296 1.7742 1.7742
2.7731 2.7731 2.8368 2.8368 3.2238 3.2238 4.2973 4.2973
4.5309 4.5309 7.7477 7.7477 7.8234 7.8234 8.2419 8.2419
k = 0.3333-0.4235 0.2597 ( 3730 PWs) bands (ev):
-14.6030 -14.6030 -14.3985 -14.3985 -10.5254 -10.5254 -10.3381 -10.3381
-4.0131 -4.0131 -3.4753 -3.4753 -2.3200 -2.3200 -1.9755 -1.9755
-1.5702 -1.5702 -1.3822 -1.3822 -0.5840 -0.5840 -0.2077 -0.2077
0.7468 0.7468 0.9395 0.9395 1.6308 1.6308 1.7644 1.7644
2.7796 2.7796 2.8416 2.8416 3.2328 3.2328 4.2906 4.2906
4.5442 4.5442 7.7531 7.7531 7.8449 7.8449 8.2722 8.2722
k = 0.3235-0.4111 0.2520 ( 3727 PWs) bands (ev):
-14.6112 -14.6112 -14.3954 -14.3954 -10.5320 -10.5320 -10.3397 -10.3397
-4.0389 -4.0389 -3.4944 -3.4944 -2.2854 -2.2854 -1.9677 -1.9677
-1.5481 -1.5481 -1.3655 -1.3655 -0.5958 -0.5958 -0.1978 -0.1978
0.7706 0.7706 0.9540 0.9540 1.6272 1.6272 1.7601 1.7601
2.7848 2.7848 2.8470 2.8470 3.2412 3.2412 4.2841 4.2841
4.5576 4.5576 7.7559 7.7559 7.8663 7.8663 8.3052 8.3052
k = 0.3137-0.3986 0.2444 ( 3725 PWs) bands (ev):
-14.6195 -14.6195 -14.3924 -14.3924 -10.5385 -10.5385 -10.3416 -10.3416
-4.0647 -4.0647 -3.5136 -3.5136 -2.2525 -2.2525 -1.9599 -1.9599
-1.5245 -1.5245 -1.3488 -1.3488 -0.6060 -0.6060 -0.1873 -0.1873
0.7963 0.7963 0.9691 0.9691 1.6188 1.6188 1.7616 1.7616
2.7887 2.7887 2.8527 2.8527 3.2489 3.2489 4.2781 4.2781
4.5710 4.5710 7.7559 7.7559 7.8876 7.8876 8.3404 8.3404
k = 0.3039-0.3862 0.2368 ( 3720 PWs) bands (ev):
-14.6277 -14.6277 -14.3895 -14.3895 -10.5449 -10.5449 -10.3439 -10.3439
-4.0905 -4.0905 -3.5329 -3.5329 -2.2225 -2.2225 -1.9513 -1.9513
-1.4999 -1.4999 -1.3322 -1.3322 -0.6140 -0.6140 -0.1763 -0.1763
0.8237 0.8237 0.9848 0.9848 1.6067 1.6067 1.7678 1.7678
2.7917 2.7917 2.8585 2.8585 3.2557 3.2557 4.2727 4.2727
4.5841 4.5841 7.7533 7.7533 7.9085 7.9085 8.3768 8.3768
k = 0.2941-0.3737 0.2291 ( 3718 PWs) bands (ev):
-14.6359 -14.6359 -14.3867 -14.3867 -10.5510 -10.5510 -10.3465 -10.3465
-4.1161 -4.1161 -3.5521 -3.5521 -2.1964 -2.1964 -1.9407 -1.9407
-1.4747 -1.4747 -1.3156 -1.3156 -0.6193 -0.6193 -0.1650 -0.1650
0.8530 0.8530 1.0011 1.0011 1.5921 1.5921 1.7774 1.7774
2.7938 2.7938 2.8642 2.8642 3.2615 3.2615 4.2681 4.2681
4.5970 4.5970 7.7479 7.7479 7.9288 7.9288 8.4131 8.4131
k = 0.2843-0.3613 0.2215 ( 3718 PWs) bands (ev):
-14.6441 -14.6441 -14.3841 -14.3841 -10.5569 -10.5569 -10.3494 -10.3494
-4.1416 -4.1416 -3.5712 -3.5712 -2.1756 -2.1756 -1.9269 -1.9269
-1.4494 -1.4494 -1.2991 -1.2991 -0.6217 -0.6217 -0.1535 -0.1535
0.8841 0.8841 1.0179 1.0179 1.5760 1.5760 1.7895 1.7895
2.7953 2.7953 2.8696 2.8696 3.2662 3.2662 4.2645 4.2645
4.6093 4.6093 7.7400 7.7400 7.9481 7.9481 8.4475 8.4475
k = 0.2745-0.3488 0.2138 ( 3725 PWs) bands (ev):
-14.6523 -14.6523 -14.3816 -14.3816 -10.5625 -10.5625 -10.3527 -10.3527
-4.1668 -4.1668 -3.5902 -3.5902 -2.1611 -2.1611 -1.9090 -1.9090
-1.4243 -1.4243 -1.2827 -1.2827 -0.6206 -0.6206 -0.1421 -0.1421
0.9169 0.9169 1.0353 1.0353 1.5593 1.5593 1.8032 1.8032
2.7962 2.7962 2.8746 2.8746 3.2698 3.2698 4.2619 4.2619
4.6211 4.6211 7.7296 7.7296 7.9661 7.9661 8.4775 8.4775
k = 0.2647-0.3363 0.2062 ( 3722 PWs) bands (ev):
-14.6603 -14.6603 -14.3793 -14.3793 -10.5679 -10.5679 -10.3562 -10.3562
-4.1917 -4.1917 -3.6089 -3.6089 -2.1529 -2.1529 -1.8868 -1.8868
-1.3999 -1.3999 -1.2664 -1.2664 -0.6159 -0.6159 -0.1308 -0.1308
0.9512 0.9512 1.0534 1.0534 1.5424 1.5424 1.8181 1.8181
2.7967 2.7967 2.8791 2.8791 3.2720 3.2720 4.2606 4.2606
4.6322 4.6322 7.7171 7.7171 7.9823 7.9823 8.5009 8.5009
k = 0.2549-0.3239 0.1986 ( 3720 PWs) bands (ev):
-14.6683 -14.6683 -14.3770 -14.3770 -10.5730 -10.5730 -10.3600 -10.3600
-4.2161 -4.2161 -3.6273 -3.6273 -2.1507 -2.1507 -1.8608 -1.8608
-1.3766 -1.3766 -1.2500 -1.2500 -0.6075 -0.6075 -0.1198 -0.1198
0.9866 0.9866 1.0725 1.0725 1.5255 1.5255 1.8341 1.8341
2.7969 2.7969 2.8831 2.8831 3.2729 3.2729 4.2606 4.2606
4.6425 4.6425 7.7025 7.7025 7.9962 7.9962 8.5169 8.5169
k = 0.2451-0.3114 0.1909 ( 3718 PWs) bands (ev):
-14.6762 -14.6762 -14.3749 -14.3749 -10.5778 -10.5778 -10.3640 -10.3640
-4.2402 -4.2402 -3.6453 -3.6453 -2.1535 -2.1535 -1.8322 -1.8322
-1.3546 -1.3546 -1.2334 -1.2334 -0.5952 -0.5952 -0.1092 -0.1092
1.0219 1.0219 1.0936 1.0936 1.5088 1.5088 1.8508 1.8508
2.7967 2.7967 2.8866 2.8866 3.2722 3.2722 4.2620 4.2620
4.6519 4.6519 7.6861 7.6861 8.0074 8.0074 8.5271 8.5271
k = 0.2353-0.2990 0.1833 ( 3718 PWs) bands (ev):
-14.6839 -14.6839 -14.3728 -14.3728 -10.5822 -10.5822 -10.3683 -10.3683
-4.2637 -4.2637 -3.6629 -3.6629 -2.1603 -2.1603 -1.8017 -1.8017
-1.3341 -1.3341 -1.2165 -1.2165 -0.5793 -0.5793 -0.0990 -0.0990
1.0553 1.0553 1.1185 1.1185 1.4926 1.4926 1.8682 1.8682
2.7962 2.7962 2.8894 2.8894 3.2701 3.2701 4.2650 4.2650
4.6604 4.6604 7.6681 7.6681 8.0153 8.0153 8.5333 8.5333
k = 0.2255-0.2865 0.1757 ( 3723 PWs) bands (ev):
-14.6916 -14.6916 -14.3709 -14.3709 -10.5864 -10.5864 -10.3728 -10.3728
-4.2867 -4.2867 -3.6801 -3.6801 -2.1703 -2.1703 -1.7706 -1.7706
-1.3150 -1.3150 -1.1993 -1.1993 -0.5598 -0.5598 -0.0893 -0.0893
1.0841 1.0841 1.1496 1.1496 1.4769 1.4769 1.8862 1.8862
2.7954 2.7954 2.8917 2.8917 3.2663 3.2663 4.2695 4.2695
4.6677 4.6677 7.6487 7.6487 8.0195 8.0195 8.5376 8.5376
k = 0.2157-0.2741 0.1680 ( 3724 PWs) bands (ev):
-14.6990 -14.6990 -14.3691 -14.3691 -10.5902 -10.5902 -10.3775 -10.3775
-4.3091 -4.3091 -3.6968 -3.6968 -2.1827 -2.1827 -1.7394 -1.7394
-1.2973 -1.2973 -1.1818 -1.1818 -0.5372 -0.5372 -0.0801 -0.0801
1.1074 1.1074 1.1875 1.1875 1.4620 1.4620 1.9047 1.9047
2.7942 2.7942 2.8935 2.8935 3.2608 3.2608 4.2755 4.2755
4.6740 4.6740 7.6281 7.6281 8.0196 8.0196 8.5411 8.5411
k = 0.2059-0.2616 0.1604 ( 3717 PWs) bands (ev):
-14.7063 -14.7063 -14.3674 -14.3674 -10.5937 -10.5937 -10.3824 -10.3824
-4.3309 -4.3309 -3.7130 -3.7130 -2.1969 -2.1969 -1.7089 -1.7089
-1.2805 -1.2805 -1.1641 -1.1641 -0.5117 -0.5117 -0.0716 -0.0716
1.1269 1.1269 1.2303 1.2303 1.4480 1.4480 1.9236 1.9236
2.7929 2.7929 2.8947 2.8947 3.2539 3.2539 4.2832 4.2832
4.6791 4.6791 7.6067 7.6067 8.0155 8.0155 8.5445 8.5445
k = 0.1961-0.2491 0.1527 ( 3716 PWs) bands (ev):
-14.7133 -14.7133 -14.3658 -14.3658 -10.5969 -10.5969 -10.3874 -10.3874
-4.3519 -4.3519 -3.7286 -3.7286 -2.2126 -2.2126 -1.6796 -1.6796
-1.2643 -1.2643 -1.1465 -1.1465 -0.4839 -0.4839 -0.0637 -0.0637
1.1439 1.1439 1.2759 1.2759 1.4355 1.4355 1.9429 1.9429
2.7912 2.7912 2.8955 2.8955 3.2452 3.2452 4.2923 4.2923
4.6830 4.6830 7.5845 7.5845 8.0073 8.0073 8.5482 8.5482
k = 0.1863-0.2367 0.1451 ( 3713 PWs) bands (ev):
-14.7202 -14.7202 -14.3642 -14.3642 -10.5997 -10.5997 -10.3925 -10.3925
-4.3722 -4.3722 -3.7436 -3.7436 -2.2292 -2.2292 -1.6518 -1.6518
-1.2482 -1.2482 -1.1289 -1.1289 -0.4542 -0.4542 -0.0564 -0.0564
1.1592 1.1592 1.3218 1.3218 1.4261 1.4261 1.9626 1.9626
2.7894 2.7894 2.8957 2.8957 3.2350 3.2350 4.3029 4.3029
4.6856 4.6856 7.5618 7.5618 7.9951 7.9951 8.5521 8.5521
k = 0.1765-0.2242 0.1375 ( 3715 PWs) bands (ev):
-14.7268 -14.7268 -14.3628 -14.3628 -10.6022 -10.6022 -10.3976 -10.3976
-4.3918 -4.3918 -3.7580 -3.7580 -2.2466 -2.2466 -1.6259 -1.6259
-1.2320 -1.2320 -1.1117 -1.1117 -0.4230 -0.4230 -0.0499 -0.0499
1.1731 1.1731 1.3606 1.3606 1.4265 1.4265 1.9825 1.9825
2.7873 2.7873 2.8953 2.8953 3.2232 3.2232 4.3147 4.3147
4.6868 4.6868 7.5388 7.5388 7.9793 7.9793 8.5559 8.5559
k = 0.1667-0.2118 0.1298 ( 3714 PWs) bands (ev):
-14.7332 -14.7332 -14.3614 -14.3614 -10.6043 -10.6043 -10.4029 -10.4029
-4.4105 -4.4105 -3.7717 -3.7717 -2.2644 -2.2644 -1.6022 -1.6022
-1.2153 -1.2153 -1.0950 -1.0950 -0.3909 -0.3909 -0.0440 -0.0440
1.1857 1.1857 1.3746 1.3746 1.4541 1.4541 2.0025 2.0025
2.7851 2.7851 2.8945 2.8945 3.2099 3.2099 4.3277 4.3277
4.6869 4.6869 7.5158 7.5158 7.9605 7.9605 8.5591 8.5591
k = 0.1569-0.1993 0.1222 ( 3711 PWs) bands (ev):
-14.7393 -14.7393 -14.3602 -14.3602 -10.6061 -10.6061 -10.4081 -10.4081
-4.4283 -4.4283 -3.7847 -3.7847 -2.2823 -2.2823 -1.5808 -1.5808
-1.1980 -1.1980 -1.0788 -1.0788 -0.3582 -0.3582 -0.0388 -0.0388
1.1970 1.1970 1.3712 1.3712 1.5014 1.5014 2.0227 2.0227
2.7826 2.7826 2.8932 2.8932 3.1952 3.1952 4.3416 4.3416
4.6857 4.6857 7.4928 7.4928 7.9393 7.9393 8.5611 8.5611
k = 0.1471-0.1869 0.1146 ( 3713 PWs) bands (ev):
-14.7451 -14.7451 -14.3590 -14.3590 -10.6077 -10.6077 -10.4134 -10.4134
-4.4453 -4.4453 -3.7971 -3.7971 -2.3001 -2.3001 -1.5617 -1.5617
-1.1801 -1.1801 -1.0632 -1.0632 -0.3254 -0.3254 -0.0343 -0.0343
1.2068 1.2068 1.3642 1.3642 1.5545 1.5545 2.0429 2.0429
2.7800 2.7800 2.8914 2.8914 3.1792 3.1792 4.3564 4.3564
4.6833 4.6833 7.4702 7.4702 7.9163 7.9163 8.5615 8.5615
k = 0.1373-0.1744 0.1069 ( 3712 PWs) bands (ev):
-14.7506 -14.7506 -14.3579 -14.3579 -10.6089 -10.6089 -10.4185 -10.4185
-4.4613 -4.4613 -3.8087 -3.8087 -2.3177 -2.3177 -1.5450 -1.5450
-1.1615 -1.1615 -1.0484 -1.0484 -0.2929 -0.2929 -0.0304 -0.0304
1.2151 1.2151 1.3572 1.3572 1.6097 1.6097 2.0630 2.0630
2.7772 2.7772 2.8891 2.8891 3.1621 3.1621 4.3717 4.3717
4.6797 4.6797 7.4480 7.4480 7.8922 7.8922 8.5597 8.5597
k = 0.1275-0.1619 0.0993 ( 3714 PWs) bands (ev):
-14.7558 -14.7558 -14.3569 -14.3569 -10.6099 -10.6099 -10.4236 -10.4236
-4.4764 -4.4764 -3.8196 -3.8196 -2.3348 -2.3348 -1.5304 -1.5304
-1.1426 -1.1426 -1.0342 -1.0342 -0.2612 -0.2612 -0.0271 -0.0271
1.2218 1.2218 1.3510 1.3510 1.6657 1.6657 2.0830 2.0830
2.7743 2.7743 2.8862 2.8862 3.1439 3.1439 4.3874 4.3874
4.6752 4.6752 7.4265 7.4265 7.8674 7.8674 8.5556 8.5556
k = 0.1176-0.1495 0.0916 ( 3713 PWs) bands (ev):
-14.7607 -14.7607 -14.3560 -14.3560 -10.6106 -10.6106 -10.4286 -10.4286
-4.4904 -4.4904 -3.8297 -3.8297 -2.3513 -2.3513 -1.5179 -1.5179
-1.1235 -1.1235 -1.0209 -1.0209 -0.2304 -0.2304 -0.0243 -0.0243
1.2266 1.2266 1.3461 1.3461 1.7220 1.7220 2.1026 2.1026
2.7712 2.7712 2.8828 2.8828 3.1248 3.1248 4.4033 4.4033
4.6697 4.6697 7.4058 7.4058 7.8427 7.8427 8.5489 8.5489
k = 0.1078-0.1370 0.0840 ( 3719 PWs) bands (ev):
-14.7652 -14.7652 -14.3551 -14.3551 -10.6110 -10.6110 -10.4334 -10.4334
-4.5035 -4.5035 -3.8391 -3.8391 -2.3670 -2.3670 -1.5072 -1.5072
-1.1047 -1.1047 -1.0083 -1.0083 -0.2009 -0.2009 -0.0222 -0.0222
1.2296 1.2296 1.3427 1.3427 1.7780 1.7780 2.1218 2.1218
2.7681 2.7681 2.8789 2.8789 3.1050 3.1050 4.4190 4.4190
4.6635 4.6635 7.3861 7.3861 7.8184 7.8184 8.5398 8.5398
k = 0.0980-0.1246 0.0764 ( 3722 PWs) bands (ev):
-14.7694 -14.7694 -14.3544 -14.3544 -10.6113 -10.6113 -10.4380 -10.4380
-4.5155 -4.5155 -3.8476 -3.8476 -2.3818 -2.3818 -1.4982 -1.4982
-1.0864 -1.0864 -0.9965 -0.9965 -0.1731 -0.1731 -0.0205 -0.0205
1.2308 1.2308 1.3408 1.3408 1.8333 1.8333 2.1405 2.1405
2.7648 2.7648 2.8746 2.8746 3.0848 3.0848 4.4344 4.4344
4.6568 4.6568 7.3675 7.3675 7.7950 7.7950 8.5286 8.5286
k = 0.0882-0.1121 0.0687 ( 3721 PWs) bands (ev):
-14.7733 -14.7733 -14.3537 -14.3537 -10.6114 -10.6114 -10.4424 -10.4424
-4.5264 -4.5264 -3.8554 -3.8554 -2.3955 -2.3955 -1.4905 -1.4905
-1.0689 -1.0689 -0.9856 -0.9856 -0.1471 -0.1471 -0.0192 -0.0192
1.2307 1.2307 1.3402 1.3402 1.8872 1.8872 2.1584 2.1584
2.7614 2.7614 2.8697 2.8697 3.0644 3.0644 4.4491 4.4491
4.6498 4.6498 7.3503 7.3503 7.7728 7.7728 8.5160 8.5160
k = 0.0784-0.0997 0.0611 ( 3715 PWs) bands (ev):
-14.7767 -14.7767 -14.3530 -14.3530 -10.6113 -10.6113 -10.4465 -10.4465
-4.5362 -4.5362 -3.8624 -3.8624 -2.4081 -2.4081 -1.4841 -1.4841
-1.0526 -1.0526 -0.9754 -0.9754 -0.1232 -0.1232 -0.0182 -0.0182
1.2294 1.2294 1.3406 1.3406 1.9392 1.9392 2.1754 2.1754
2.7578 2.7578 2.8644 2.8644 3.0444 3.0444 4.4630 4.4630
4.6427 4.6427 7.3344 7.3344 7.7523 7.7523 8.5025 8.5025
k = 0.0686-0.0872 0.0535 ( 3710 PWs) bands (ev):
-14.7798 -14.7798 -14.3525 -14.3525 -10.6111 -10.6111 -10.4502 -10.4502
-4.5450 -4.5450 -3.8686 -3.8686 -2.4194 -2.4194 -1.4788 -1.4788
-1.0378 -1.0378 -0.9661 -0.9661 -0.1017 -0.1017 -0.0175 -0.0175
1.2274 1.2274 1.3417 1.3417 1.9886 1.9886 2.1914 2.1914
2.7541 2.7541 2.8586 2.8586 3.0250 3.0250 4.4758 4.4758
4.6358 4.6358 7.3202 7.3202 7.7336 7.7336 8.4887 8.4887
k = 0.0588-0.0747 0.0458 ( 3709 PWs) bands (ev):
-14.7825 -14.7825 -14.3520 -14.3520 -10.6109 -10.6109 -10.4536 -10.4536
-4.5526 -4.5526 -3.8739 -3.8739 -2.4294 -2.4294 -1.4744 -1.4744
-1.0247 -1.0247 -0.9577 -0.9577 -0.0828 -0.0828 -0.0170 -0.0170
1.2251 1.2251 1.3431 1.3431 2.0345 2.0345 2.2062 2.2062
2.7503 2.7503 2.8523 2.8523 3.0069 3.0069 4.4872 4.4872
4.6293 4.6293 7.3076 7.3076 7.7171 7.7171 8.4753 8.4753
k = 0.0490-0.0623 0.0382 ( 3707 PWs) bands (ev):
-14.7847 -14.7847 -14.3516 -14.3516 -10.6106 -10.6106 -10.4565 -10.4565
-4.5590 -4.5590 -3.8785 -3.8785 -2.4380 -2.4380 -1.4709 -1.4709
-1.0135 -1.0135 -0.9502 -0.9502 -0.0667 -0.0667 -0.0166 -0.0166
1.2227 1.2227 1.3446 1.3446 2.0760 2.0760 2.2197 2.2197
2.7463 2.7463 2.8458 2.8458 2.9906 2.9906 4.4970 4.4970
4.6235 4.6235 7.2967 7.2967 7.7028 7.7028 8.4628 8.4628
k = 0.0392-0.0498 0.0305 ( 3712 PWs) bands (ev):
-14.7866 -14.7866 -14.3513 -14.3513 -10.6103 -10.6103 -10.4590 -10.4590
-4.5643 -4.5643 -3.8822 -3.8822 -2.4451 -2.4451 -1.4682 -1.4682
-1.0044 -1.0044 -0.9438 -0.9438 -0.0535 -0.0535 -0.0161 -0.0161
1.2204 1.2204 1.3460 1.3460 2.1119 2.1119 2.2316 2.2316
2.7422 2.7422 2.8394 2.8394 2.9767 2.9767 4.5051 4.5051
4.6186 4.6186 7.2877 7.2877 7.6909 7.6909 8.4519 8.4519
k = 0.0294-0.0374 0.0229 ( 3720 PWs) bands (ev):
-14.7881 -14.7881 -14.3511 -14.3511 -10.6101 -10.6101 -10.4609 -10.4609
-4.5685 -4.5685 -3.8851 -3.8851 -2.4506 -2.4506 -1.4661 -1.4661
-0.9973 -0.9973 -0.9386 -0.9386 -0.0434 -0.0434 -0.0155 -0.0155
1.2185 1.2185 1.3472 1.3472 2.1410 2.1410 2.2419 2.2419
2.7384 2.7384 2.8335 2.8335 2.9655 2.9655 4.5115 4.5115
4.6147 4.6147 7.2806 7.2806 7.6815 7.6815 8.4430 8.4430
k = 0.0196-0.0249 0.0153 ( 3724 PWs) bands (ev):
-14.7891 -14.7891 -14.3509 -14.3509 -10.6099 -10.6099 -10.4623 -10.4623
-4.5714 -4.5714 -3.8872 -3.8872 -2.4547 -2.4547 -1.4647 -1.4647
-0.9923 -0.9923 -0.9347 -0.9347 -0.0366 -0.0366 -0.0147 -0.0147
1.2171 1.2171 1.3482 1.3482 2.1622 2.1622 2.2502 2.2502
2.7350 2.7350 2.8287 2.8287 2.9575 2.9575 4.5160 4.5160
4.6119 4.6119 7.2755 7.2755 7.6748 7.6748 8.4363 8.4363
k = 0.0098-0.0125 0.0076 ( 3727 PWs) bands (ev):
-14.7898 -14.7898 -14.3508 -14.3508 -10.6097 -10.6097 -10.4632 -10.4632
-4.5732 -4.5732 -3.8885 -3.8885 -2.4571 -2.4571 -1.4638 -1.4638
-0.9893 -0.9893 -0.9324 -0.9324 -0.0329 -0.0329 -0.0138 -0.0138
1.2162 1.2162 1.3487 1.3487 2.1751 2.1751 2.2557 2.2557
2.7328 2.7328 2.8256 2.8256 2.9526 2.9526 4.5186 4.5186
4.6102 4.6102 7.2725 7.2725 7.6707 7.6707 8.4323 8.4323
k = 0.0000 0.0000 0.0000 ( 3723 PWs) bands (ev):
-14.7900 -14.7900 -14.3507 -14.3507 -10.6097 -10.6097 -10.4635 -10.4635
-4.5738 -4.5738 -3.8889 -3.8889 -2.4579 -2.4579 -1.4636 -1.4636
-0.9883 -0.9883 -0.9316 -0.9316 -0.0317 -0.0317 -0.0135 -0.0135
1.2159 1.2159 1.3489 1.3489 2.1794 2.1794 2.2576 2.2576
2.7320 2.7320 2.8245 2.8245 2.9510 2.9510 4.5195 4.5195
4.6097 4.6097 7.2714 7.2714 7.6694 7.6694 8.4309 8.4309
Writing output data file NiC2xSNx2.save
init_run : 0.97s CPU 1.23s WALL ( 1 calls)
electrons : 180.37s CPU 184.73s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.03s WALL ( 1 calls)
potinit : 0.02s CPU 0.11s WALL ( 1 calls)
Called by electrons:
c_bands : 180.36s CPU 184.72s WALL ( 1 calls)
v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.01s CPU 0.01s WALL ( 1 calls)
newd : 0.08s CPU 0.12s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.08s CPU 0.09s WALL ( 370 calls)
cegterg : 164.52s CPU 166.64s WALL ( 430 calls)
Called by sum_band:
Called by *egterg:
h_psi : 97.34s CPU 99.10s WALL ( 7923 calls)
s_psi : 5.30s CPU 5.39s WALL ( 7923 calls)
g_psi : 0.28s CPU 0.23s WALL ( 7123 calls)
cdiaghg : 58.46s CPU 59.03s WALL ( 7493 calls)
cegterg:over : 5.68s CPU 5.70s WALL ( 7123 calls)
cegterg:upda : 5.04s CPU 5.13s WALL ( 7123 calls)
cegterg:last : 2.44s CPU 2.48s WALL ( 1294 calls)
cdiaghg:chol : 3.16s CPU 3.33s WALL ( 7493 calls)
cdiaghg:inve : 2.25s CPU 2.30s WALL ( 7493 calls)
cdiaghg:para : 3.42s CPU 3.58s WALL ( 14986 calls)
Called by h_psi:
h_psi:vloc : 84.26s CPU 86.00s WALL ( 7923 calls)
h_psi:vnl : 12.86s CPU 12.90s WALL ( 7923 calls)
add_vuspsi : 6.24s CPU 6.30s WALL ( 7923 calls)
General routines
calbec : 6.58s CPU 6.58s WALL ( 7923 calls)
fft : 0.00s CPU 0.01s WALL ( 19 calls)
ffts : 0.00s CPU 0.00s WALL ( 4 calls)
fftw : 78.50s CPU 79.91s WALL ( 827824 calls)
interpolate : 0.00s CPU 0.00s WALL ( 4 calls)
davcio : 0.14s CPU 0.20s WALL ( 740 calls)
Parallel routines
fft_scatter : 23.53s CPU 23.98s WALL ( 827847 calls)
PWSCF : 3m17.67s CPU 4m 1.68s WALL
This run was terminated on: 16:25:50 5Jan2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=