Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 5:19
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI & OpenMP), running on 72 processor cores
Number of MPI processes: 36
Threads/MPI process: 2
R & G space division: proc/nbgrp/npool/nimage = 36
Waiting for input...
Reading input from standard input
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
Atomic positions and unit cell read from directory:
./HgH3IO6.save/
file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized
file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
one sub-group per band group will be used
scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs)
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 75 33 9 3134 937 143
Max 76 34 10 3138 963 150
Sum 2711 1221 349 112869 34239 5273
bravais-lattice index = 14
lattice parameter (alat) = 9.0867 a.u.
unit-cell volume = 787.3643 (a.u.)^3
number of atoms/cell = 11
number of atomic types = 4
number of electrons = 58.00
number of Kohn-Sham states= 70
kinetic-energy cutoff = 47.0000 Ry
charge density cutoff = 416.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 9.086747 celldm(2)= 1.104606 celldm(3)= 1.167017
celldm(4)= 0.417756 celldm(5)= 0.234277 celldm(6)= 0.440582
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.486669 0.991619 0.000000 )
a(3) = ( 0.273405 0.408896 1.058292 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.490783 -0.068720 )
b(2) = ( 0.000000 1.008452 -0.389639 )
b(3) = ( 0.000000 0.000000 0.944919 )
PseudoPot. # 1 for Hg read from file:
/users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960
Pseudo is Ultrasoft + core correction, Zval = 12.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1279 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
PseudoPot. # 2 for H read from file:
/users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF
MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d
Pseudo is Ultrasoft, Zval = 1.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 929 points, 2 beta functions with:
l(1) = 0
l(2) = 0
Q(r) pseudized with 0 coefficients
PseudoPot. # 3 for I read from file:
/users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5
Pseudo is Ultrasoft + core correction, Zval = 7.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1247 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. # 4 for O read from file:
/users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: e551570ea340e0688630c94d366e26e3
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 1095 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
Hg 12.00 200.59000 Hg( 1.00)
H 1.00 1.00790 H( 1.00)
I 7.00 126.90450 I( 1.00)
O 6.00 15.99940 O( 1.00)
No symmetry found
s frac. trans.
isym = 1 identity
cryst. s( 1) = ( 1 0 0 )
( 0 1 0 )
( 0 0 1 )
cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 )
( 0.0000000 1.0000000 0.0000000 )
( 0.0000000 0.0000000 1.0000000 )
double point group C_1 (1)
there are 2 classes and 1 irreducible representations
the character table:
E -E
G_2 1.00 -1.00
the symmetry operations in each class and the name of the first element:
E 1
identity
-E -1
identity E
Cartesian axes
number of k points= 277 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.5000000 -0.2453913 -0.0343601), wk = 0.0036101
k( 2) = ( 0.4864865 -0.2387591 -0.0334314), wk = 0.0036101
k( 3) = ( 0.4729730 -0.2321269 -0.0325028), wk = 0.0036101
k( 4) = ( 0.4594595 -0.2254947 -0.0315741), wk = 0.0036101
k( 5) = ( 0.4459459 -0.2188625 -0.0306455), wk = 0.0036101
k( 6) = ( 0.4324324 -0.2122303 -0.0297168), wk = 0.0036101
k( 7) = ( 0.4189189 -0.2055981 -0.0287882), wk = 0.0036101
k( 8) = ( 0.4054054 -0.1989659 -0.0278595), wk = 0.0036101
k( 9) = ( 0.3918919 -0.1923337 -0.0269309), wk = 0.0036101
k( 10) = ( 0.3783784 -0.1857015 -0.0260022), wk = 0.0036101
k( 11) = ( 0.3648649 -0.1790693 -0.0250736), wk = 0.0036101
k( 12) = ( 0.3513514 -0.1724371 -0.0241449), wk = 0.0036101
k( 13) = ( 0.3378378 -0.1658049 -0.0232163), wk = 0.0036101
k( 14) = ( 0.3243243 -0.1591727 -0.0222876), wk = 0.0036101
k( 15) = ( 0.3108108 -0.1525405 -0.0213590), wk = 0.0036101
k( 16) = ( 0.2972973 -0.1459083 -0.0204303), wk = 0.0036101
k( 17) = ( 0.2837838 -0.1392761 -0.0195017), wk = 0.0036101
k( 18) = ( 0.2702703 -0.1326439 -0.0185730), wk = 0.0036101
k( 19) = ( 0.2567568 -0.1260117 -0.0176444), wk = 0.0036101
k( 20) = ( 0.2432432 -0.1193795 -0.0167157), wk = 0.0036101
k( 21) = ( 0.2297297 -0.1127473 -0.0157871), wk = 0.0036101
k( 22) = ( 0.2162162 -0.1061152 -0.0148584), wk = 0.0036101
k( 23) = ( 0.2027027 -0.0994830 -0.0139298), wk = 0.0036101
k( 24) = ( 0.1891892 -0.0928508 -0.0130011), wk = 0.0036101
k( 25) = ( 0.1756757 -0.0862186 -0.0120725), wk = 0.0036101
k( 26) = ( 0.1621622 -0.0795864 -0.0111438), wk = 0.0036101
k( 27) = ( 0.1486486 -0.0729542 -0.0102152), wk = 0.0036101
k( 28) = ( 0.1351351 -0.0663220 -0.0092865), wk = 0.0036101
k( 29) = ( 0.1216216 -0.0596898 -0.0083579), wk = 0.0036101
k( 30) = ( 0.1081081 -0.0530576 -0.0074292), wk = 0.0036101
k( 31) = ( 0.0945946 -0.0464254 -0.0065006), wk = 0.0036101
k( 32) = ( 0.0810811 -0.0397932 -0.0055719), wk = 0.0036101
k( 33) = ( 0.0675676 -0.0331610 -0.0046433), wk = 0.0036101
k( 34) = ( 0.0540540 -0.0265288 -0.0037146), wk = 0.0036101
k( 35) = ( 0.0405405 -0.0198966 -0.0027860), wk = 0.0036101
k( 36) = ( 0.0270270 -0.0132644 -0.0018573), wk = 0.0036101
k( 37) = ( 0.0135135 -0.0066322 -0.0009287), wk = 0.0036101
k( 38) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
k( 39) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
k( 40) = ( 0.0000000 0.0140063 -0.0054117), wk = 0.0036101
k( 41) = ( 0.0000000 0.0280126 -0.0108233), wk = 0.0036101
k( 42) = ( 0.0000000 0.0420188 -0.0162350), wk = 0.0036101
k( 43) = ( 0.0000000 0.0560251 -0.0216466), wk = 0.0036101
k( 44) = ( 0.0000000 0.0700314 -0.0270583), wk = 0.0036101
k( 45) = ( 0.0000000 0.0840376 -0.0324699), wk = 0.0036101
k( 46) = ( 0.0000000 0.0980439 -0.0378816), wk = 0.0036101
k( 47) = ( 0.0000000 0.1120502 -0.0432932), wk = 0.0036101
k( 48) = ( 0.0000000 0.1260565 -0.0487049), wk = 0.0036101
k( 49) = ( 0.0000000 0.1400628 -0.0541165), wk = 0.0036101
k( 50) = ( 0.0000000 0.1540690 -0.0595282), wk = 0.0036101
k( 51) = ( 0.0000000 0.1680753 -0.0649399), wk = 0.0036101
k( 52) = ( 0.0000000 0.1820816 -0.0703515), wk = 0.0036101
k( 53) = ( 0.0000000 0.1960878 -0.0757632), wk = 0.0036101
k( 54) = ( 0.0000000 0.2100941 -0.0811748), wk = 0.0036101
k( 55) = ( 0.0000000 0.2241004 -0.0865865), wk = 0.0036101
k( 56) = ( 0.0000000 0.2381067 -0.0919981), wk = 0.0036101
k( 57) = ( 0.0000000 0.2521130 -0.0974098), wk = 0.0036101
k( 58) = ( 0.0000000 0.2661192 -0.1028214), wk = 0.0036101
k( 59) = ( 0.0000000 0.2801255 -0.1082331), wk = 0.0036101
k( 60) = ( 0.0000000 0.2941318 -0.1136447), wk = 0.0036101
k( 61) = ( 0.0000000 0.3081381 -0.1190564), wk = 0.0036101
k( 62) = ( 0.0000000 0.3221443 -0.1244681), wk = 0.0036101
k( 63) = ( 0.0000000 0.3361506 -0.1298797), wk = 0.0036101
k( 64) = ( 0.0000000 0.3501569 -0.1352914), wk = 0.0036101
k( 65) = ( 0.0000000 0.3641631 -0.1407030), wk = 0.0036101
k( 66) = ( 0.0000000 0.3781694 -0.1461147), wk = 0.0036101
k( 67) = ( 0.0000000 0.3921757 -0.1515263), wk = 0.0036101
k( 68) = ( 0.0000000 0.4061820 -0.1569380), wk = 0.0036101
k( 69) = ( 0.0000000 0.4201883 -0.1623496), wk = 0.0036101
k( 70) = ( 0.0000000 0.4341945 -0.1677613), wk = 0.0036101
k( 71) = ( 0.0000000 0.4482008 -0.1731729), wk = 0.0036101
k( 72) = ( 0.0000000 0.4622071 -0.1785846), wk = 0.0036101
k( 73) = ( 0.0000000 0.4762133 -0.1839963), wk = 0.0036101
k( 74) = ( 0.0000000 0.4902196 -0.1894079), wk = 0.0036101
k( 75) = ( 0.0000000 0.5042259 -0.1948196), wk = 0.0036101
k( 76) = ( 0.5000000 0.2588346 -0.2291796), wk = 0.0036101
k( 77) = ( 0.4875000 0.2523637 -0.2234501), wk = 0.0036101
k( 78) = ( 0.4750000 0.2458929 -0.2177207), wk = 0.0036101
k( 79) = ( 0.4625000 0.2394220 -0.2119912), wk = 0.0036101
k( 80) = ( 0.4500000 0.2329512 -0.2062617), wk = 0.0036101
k( 81) = ( 0.4375000 0.2264803 -0.2005322), wk = 0.0036101
k( 82) = ( 0.4250000 0.2200094 -0.1948027), wk = 0.0036101
k( 83) = ( 0.4125000 0.2135386 -0.1890732), wk = 0.0036101
k( 84) = ( 0.4000000 0.2070677 -0.1833437), wk = 0.0036101
k( 85) = ( 0.3875000 0.2005968 -0.1776142), wk = 0.0036101
k( 86) = ( 0.3750000 0.1941260 -0.1718847), wk = 0.0036101
k( 87) = ( 0.3625000 0.1876551 -0.1661552), wk = 0.0036101
k( 88) = ( 0.3500000 0.1811842 -0.1604257), wk = 0.0036101
k( 89) = ( 0.3375000 0.1747134 -0.1546963), wk = 0.0036101
k( 90) = ( 0.3250000 0.1682425 -0.1489668), wk = 0.0036101
k( 91) = ( 0.3125000 0.1617716 -0.1432373), wk = 0.0036101
k( 92) = ( 0.3000000 0.1553008 -0.1375078), wk = 0.0036101
k( 93) = ( 0.2875000 0.1488299 -0.1317783), wk = 0.0036101
k( 94) = ( 0.2750000 0.1423590 -0.1260488), wk = 0.0036101
k( 95) = ( 0.2625000 0.1358882 -0.1203193), wk = 0.0036101
k( 96) = ( 0.2500000 0.1294173 -0.1145898), wk = 0.0036101
k( 97) = ( 0.2375000 0.1229464 -0.1088603), wk = 0.0036101
k( 98) = ( 0.2250000 0.1164756 -0.1031308), wk = 0.0036101
k( 99) = ( 0.2125000 0.1100047 -0.0974013), wk = 0.0036101
k( 100) = ( 0.2000000 0.1035338 -0.0916719), wk = 0.0036101
k( 101) = ( 0.1875000 0.0970630 -0.0859424), wk = 0.0036101
k( 102) = ( 0.1750000 0.0905921 -0.0802129), wk = 0.0036101
k( 103) = ( 0.1625000 0.0841212 -0.0744834), wk = 0.0036101
k( 104) = ( 0.1500000 0.0776504 -0.0687539), wk = 0.0036101
k( 105) = ( 0.1375000 0.0711795 -0.0630244), wk = 0.0036101
k( 106) = ( 0.1250000 0.0647087 -0.0572949), wk = 0.0036101
k( 107) = ( 0.1125000 0.0582378 -0.0515654), wk = 0.0036101
k( 108) = ( 0.1000000 0.0517669 -0.0458359), wk = 0.0036101
k( 109) = ( 0.0875000 0.0452961 -0.0401064), wk = 0.0036101
k( 110) = ( 0.0750000 0.0388252 -0.0343769), wk = 0.0036101
k( 111) = ( 0.0625000 0.0323543 -0.0286475), wk = 0.0036101
k( 112) = ( 0.0500000 0.0258835 -0.0229180), wk = 0.0036101
k( 113) = ( 0.0375000 0.0194126 -0.0171885), wk = 0.0036101
k( 114) = ( 0.0250000 0.0129417 -0.0114590), wk = 0.0036101
k( 115) = ( 0.0125000 0.0064709 -0.0057295), wk = 0.0036101
k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
k( 118) = ( 0.0000000 0.0000000 0.0152406), wk = 0.0036101
k( 119) = ( 0.0000000 0.0000000 0.0304812), wk = 0.0036101
k( 120) = ( 0.0000000 0.0000000 0.0457219), wk = 0.0036101
k( 121) = ( 0.0000000 0.0000000 0.0609625), wk = 0.0036101
k( 122) = ( 0.0000000 0.0000000 0.0762031), wk = 0.0036101
k( 123) = ( 0.0000000 0.0000000 0.0914438), wk = 0.0036101
k( 124) = ( 0.0000000 0.0000000 0.1066844), wk = 0.0036101
k( 125) = ( 0.0000000 0.0000000 0.1219250), wk = 0.0036101
k( 126) = ( 0.0000000 0.0000000 0.1371656), wk = 0.0036101
k( 127) = ( 0.0000000 0.0000000 0.1524063), wk = 0.0036101
k( 128) = ( 0.0000000 0.0000000 0.1676469), wk = 0.0036101
k( 129) = ( 0.0000000 0.0000000 0.1828875), wk = 0.0036101
k( 130) = ( 0.0000000 0.0000000 0.1981281), wk = 0.0036101
k( 131) = ( 0.0000000 0.0000000 0.2133688), wk = 0.0036101
k( 132) = ( 0.0000000 0.0000000 0.2286094), wk = 0.0036101
k( 133) = ( 0.0000000 0.0000000 0.2438500), wk = 0.0036101
k( 134) = ( 0.0000000 0.0000000 0.2590907), wk = 0.0036101
k( 135) = ( 0.0000000 0.0000000 0.2743313), wk = 0.0036101
k( 136) = ( 0.0000000 0.0000000 0.2895719), wk = 0.0036101
k( 137) = ( 0.0000000 0.0000000 0.3048125), wk = 0.0036101
k( 138) = ( 0.0000000 0.0000000 0.3200532), wk = 0.0036101
k( 139) = ( 0.0000000 0.0000000 0.3352938), wk = 0.0036101
k( 140) = ( 0.0000000 0.0000000 0.3505344), wk = 0.0036101
k( 141) = ( 0.0000000 0.0000000 0.3657750), wk = 0.0036101
k( 142) = ( 0.0000000 0.0000000 0.3810157), wk = 0.0036101
k( 143) = ( 0.0000000 0.0000000 0.3962563), wk = 0.0036101
k( 144) = ( 0.0000000 0.0000000 0.4114969), wk = 0.0036101
k( 145) = ( 0.0000000 0.0000000 0.4267375), wk = 0.0036101
k( 146) = ( 0.0000000 0.0000000 0.4419782), wk = 0.0036101
k( 147) = ( 0.0000000 0.0000000 0.4572188), wk = 0.0036101
k( 148) = ( 0.0000000 0.0000000 0.4724594), wk = 0.0036101
k( 149) = ( 0.5000000 -0.2453913 0.4380994), wk = 0.0036101
k( 150) = ( 0.4893617 -0.2401702 0.4287781), wk = 0.0036101
k( 151) = ( 0.4787234 -0.2349491 0.4194568), wk = 0.0036101
k( 152) = ( 0.4680851 -0.2297280 0.4101356), wk = 0.0036101
k( 153) = ( 0.4574468 -0.2245069 0.4008143), wk = 0.0036101
k( 154) = ( 0.4468085 -0.2192858 0.3914930), wk = 0.0036101
k( 155) = ( 0.4361702 -0.2140647 0.3821718), wk = 0.0036101
k( 156) = ( 0.4255319 -0.2088436 0.3728505), wk = 0.0036101
k( 157) = ( 0.4148936 -0.2036226 0.3635293), wk = 0.0036101
k( 158) = ( 0.4042553 -0.1984015 0.3542080), wk = 0.0036101
k( 159) = ( 0.3936170 -0.1931804 0.3448867), wk = 0.0036101
k( 160) = ( 0.3829787 -0.1879593 0.3355655), wk = 0.0036101
k( 161) = ( 0.3723404 -0.1827382 0.3262442), wk = 0.0036101
k( 162) = ( 0.3617021 -0.1775171 0.3169229), wk = 0.0036101
k( 163) = ( 0.3510638 -0.1722960 0.3076017), wk = 0.0036101
k( 164) = ( 0.3404255 -0.1670749 0.2982804), wk = 0.0036101
k( 165) = ( 0.3297872 -0.1618538 0.2889591), wk = 0.0036101
k( 166) = ( 0.3191489 -0.1566327 0.2796379), wk = 0.0036101
k( 167) = ( 0.3085106 -0.1514116 0.2703166), wk = 0.0036101
k( 168) = ( 0.2978723 -0.1461906 0.2609954), wk = 0.0036101
k( 169) = ( 0.2872340 -0.1409695 0.2516741), wk = 0.0036101
k( 170) = ( 0.2765957 -0.1357484 0.2423528), wk = 0.0036101
k( 171) = ( 0.2659574 -0.1305273 0.2330316), wk = 0.0036101
k( 172) = ( 0.2553191 -0.1253062 0.2237103), wk = 0.0036101
k( 173) = ( 0.2446809 -0.1200851 0.2143890), wk = 0.0036101
k( 174) = ( 0.2340425 -0.1148640 0.2050678), wk = 0.0036101
k( 175) = ( 0.2234043 -0.1096429 0.1957465), wk = 0.0036101
k( 176) = ( 0.2127660 -0.1044218 0.1864253), wk = 0.0036101
k( 177) = ( 0.2021277 -0.0992007 0.1771040), wk = 0.0036101
k( 178) = ( 0.1914894 -0.0939796 0.1677827), wk = 0.0036101
k( 179) = ( 0.1808511 -0.0887585 0.1584615), wk = 0.0036101
k( 180) = ( 0.1702128 -0.0835375 0.1491402), wk = 0.0036101
k( 181) = ( 0.1595745 -0.0783164 0.1398189), wk = 0.0036101
k( 182) = ( 0.1489362 -0.0730953 0.1304977), wk = 0.0036101
k( 183) = ( 0.1382979 -0.0678742 0.1211764), wk = 0.0036101
k( 184) = ( 0.1276596 -0.0626531 0.1118552), wk = 0.0036101
k( 185) = ( 0.1170213 -0.0574320 0.1025339), wk = 0.0036101
k( 186) = ( 0.1063830 -0.0522109 0.0932126), wk = 0.0036101
k( 187) = ( 0.0957447 -0.0469898 0.0838914), wk = 0.0036101
k( 188) = ( 0.0851064 -0.0417687 0.0745701), wk = 0.0036101
k( 189) = ( 0.0744681 -0.0365476 0.0652488), wk = 0.0036101
k( 190) = ( 0.0638298 -0.0313265 0.0559276), wk = 0.0036101
k( 191) = ( 0.0531915 -0.0261055 0.0466063), wk = 0.0036101
k( 192) = ( 0.0425532 -0.0208844 0.0372851), wk = 0.0036101
k( 193) = ( 0.0319149 -0.0156633 0.0279638), wk = 0.0036101
k( 194) = ( 0.0212766 -0.0104422 0.0186425), wk = 0.0036101
k( 195) = ( 0.0106383 -0.0052211 0.0093213), wk = 0.0036101
k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
k( 198) = ( 0.0000000 0.0132691 0.0073063), wk = 0.0036101
k( 199) = ( 0.0000000 0.0265382 0.0146126), wk = 0.0036101
k( 200) = ( 0.0000000 0.0398073 0.0219189), wk = 0.0036101
k( 201) = ( 0.0000000 0.0530764 0.0292252), wk = 0.0036101
k( 202) = ( 0.0000000 0.0663455 0.0365316), wk = 0.0036101
k( 203) = ( 0.0000000 0.0796146 0.0438379), wk = 0.0036101
k( 204) = ( 0.0000000 0.0928837 0.0511442), wk = 0.0036101
k( 205) = ( 0.0000000 0.1061528 0.0584505), wk = 0.0036101
k( 206) = ( 0.0000000 0.1194219 0.0657568), wk = 0.0036101
k( 207) = ( 0.0000000 0.1326910 0.0730631), wk = 0.0036101
k( 208) = ( 0.0000000 0.1459601 0.0803694), wk = 0.0036101
k( 209) = ( 0.0000000 0.1592292 0.0876757), wk = 0.0036101
k( 210) = ( 0.0000000 0.1724983 0.0949821), wk = 0.0036101
k( 211) = ( 0.0000000 0.1857674 0.1022884), wk = 0.0036101
k( 212) = ( 0.0000000 0.1990365 0.1095947), wk = 0.0036101
k( 213) = ( 0.0000000 0.2123056 0.1169010), wk = 0.0036101
k( 214) = ( 0.0000000 0.2255747 0.1242073), wk = 0.0036101
k( 215) = ( 0.0000000 0.2388439 0.1315136), wk = 0.0036101
k( 216) = ( 0.0000000 0.2521130 0.1388199), wk = 0.0036101
k( 217) = ( 0.0000000 0.2653820 0.1461262), wk = 0.0036101
k( 218) = ( 0.0000000 0.2786512 0.1534326), wk = 0.0036101
k( 219) = ( 0.0000000 0.2919203 0.1607389), wk = 0.0036101
k( 220) = ( 0.0000000 0.3051894 0.1680452), wk = 0.0036101
k( 221) = ( 0.0000000 0.3184585 0.1753515), wk = 0.0036101
k( 222) = ( 0.0000000 0.3317276 0.1826578), wk = 0.0036101
k( 223) = ( 0.0000000 0.3449967 0.1899641), wk = 0.0036101
k( 224) = ( 0.0000000 0.3582658 0.1972704), wk = 0.0036101
k( 225) = ( 0.0000000 0.3715349 0.2045767), wk = 0.0036101
k( 226) = ( 0.0000000 0.3848040 0.2118831), wk = 0.0036101
k( 227) = ( 0.0000000 0.3980731 0.2191894), wk = 0.0036101
k( 228) = ( 0.0000000 0.4113422 0.2264957), wk = 0.0036101
k( 229) = ( 0.0000000 0.4246113 0.2338020), wk = 0.0036101
k( 230) = ( 0.0000000 0.4378804 0.2411083), wk = 0.0036101
k( 231) = ( 0.0000000 0.4511495 0.2484146), wk = 0.0036101
k( 232) = ( 0.0000000 0.4644186 0.2557209), wk = 0.0036101
k( 233) = ( 0.0000000 0.4776877 0.2630272), wk = 0.0036101
k( 234) = ( 0.0000000 0.4909568 0.2703336), wk = 0.0036101
k( 235) = ( 0.0000000 0.5042259 0.2776399), wk = 0.0036101
k( 236) = ( 0.5000000 0.2588346 0.2432798), wk = 0.0036101
k( 237) = ( 0.4878049 0.2525216 0.2373461), wk = 0.0036101
k( 238) = ( 0.4756098 0.2462085 0.2314125), wk = 0.0036101
k( 239) = ( 0.4634146 0.2398955 0.2254788), wk = 0.0036101
k( 240) = ( 0.4512195 0.2335825 0.2195452), wk = 0.0036101
k( 241) = ( 0.4390244 0.2272694 0.2136115), wk = 0.0036101
k( 242) = ( 0.4268293 0.2209564 0.2076779), wk = 0.0036101
k( 243) = ( 0.4146341 0.2146433 0.2017442), wk = 0.0036101
k( 244) = ( 0.4024390 0.2083303 0.1958106), wk = 0.0036101
k( 245) = ( 0.3902439 0.2020173 0.1898769), wk = 0.0036101
k( 246) = ( 0.3780488 0.1957042 0.1839433), wk = 0.0036101
k( 247) = ( 0.3658537 0.1893912 0.1780096), wk = 0.0036101
k( 248) = ( 0.3536585 0.1830781 0.1720760), wk = 0.0036101
k( 249) = ( 0.3414634 0.1767651 0.1661423), wk = 0.0036101
k( 250) = ( 0.3292683 0.1704521 0.1602086), wk = 0.0036101
k( 251) = ( 0.3170732 0.1641390 0.1542750), wk = 0.0036101
k( 252) = ( 0.3048781 0.1578260 0.1483413), wk = 0.0036101
k( 253) = ( 0.2926829 0.1515129 0.1424077), wk = 0.0036101
k( 254) = ( 0.2804878 0.1451999 0.1364740), wk = 0.0036101
k( 255) = ( 0.2682927 0.1388869 0.1305404), wk = 0.0036101
k( 256) = ( 0.2560976 0.1325738 0.1246067), wk = 0.0036101
k( 257) = ( 0.2439024 0.1262608 0.1186731), wk = 0.0036101
k( 258) = ( 0.2317073 0.1199477 0.1127394), wk = 0.0036101
k( 259) = ( 0.2195122 0.1136347 0.1068058), wk = 0.0036101
k( 260) = ( 0.2073171 0.1073217 0.1008721), wk = 0.0036101
k( 261) = ( 0.1951219 0.1010086 0.0949385), wk = 0.0036101
k( 262) = ( 0.1829268 0.0946956 0.0890048), wk = 0.0036101
k( 263) = ( 0.1707317 0.0883826 0.0830712), wk = 0.0036101
k( 264) = ( 0.1585366 0.0820695 0.0771375), wk = 0.0036101
k( 265) = ( 0.1463415 0.0757565 0.0712038), wk = 0.0036101
k( 266) = ( 0.1341463 0.0694434 0.0652702), wk = 0.0036101
k( 267) = ( 0.1219512 0.0631304 0.0593365), wk = 0.0036101
k( 268) = ( 0.1097561 0.0568174 0.0534029), wk = 0.0036101
k( 269) = ( 0.0975610 0.0505043 0.0474692), wk = 0.0036101
k( 270) = ( 0.0853658 0.0441913 0.0415356), wk = 0.0036101
k( 271) = ( 0.0731707 0.0378782 0.0356019), wk = 0.0036101
k( 272) = ( 0.0609756 0.0315652 0.0296683), wk = 0.0036101
k( 273) = ( 0.0487805 0.0252522 0.0237346), wk = 0.0036101
k( 274) = ( 0.0365854 0.0189391 0.0178010), wk = 0.0036101
k( 275) = ( 0.0243902 0.0126261 0.0118673), wk = 0.0036101
k( 276) = ( 0.0121951 0.0063130 0.0059337), wk = 0.0036101
k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
cryst. coord.
k( 1) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036101
k( 2) = ( 0.4864865 0.0000000 0.0000000), wk = 0.0036101
k( 3) = ( 0.4729730 0.0000000 0.0000000), wk = 0.0036101
k( 4) = ( 0.4594595 0.0000000 0.0000000), wk = 0.0036101
k( 5) = ( 0.4459459 0.0000000 0.0000000), wk = 0.0036101
k( 6) = ( 0.4324324 0.0000000 0.0000000), wk = 0.0036101
k( 7) = ( 0.4189189 0.0000000 0.0000000), wk = 0.0036101
k( 8) = ( 0.4054054 0.0000000 0.0000000), wk = 0.0036101
k( 9) = ( 0.3918919 0.0000000 0.0000000), wk = 0.0036101
k( 10) = ( 0.3783784 0.0000000 0.0000000), wk = 0.0036101
k( 11) = ( 0.3648649 0.0000000 0.0000000), wk = 0.0036101
k( 12) = ( 0.3513514 0.0000000 0.0000000), wk = 0.0036101
k( 13) = ( 0.3378378 0.0000000 0.0000000), wk = 0.0036101
k( 14) = ( 0.3243243 0.0000000 0.0000000), wk = 0.0036101
k( 15) = ( 0.3108108 0.0000000 0.0000000), wk = 0.0036101
k( 16) = ( 0.2972973 0.0000000 0.0000000), wk = 0.0036101
k( 17) = ( 0.2837838 0.0000000 0.0000000), wk = 0.0036101
k( 18) = ( 0.2702703 0.0000000 0.0000000), wk = 0.0036101
k( 19) = ( 0.2567568 0.0000000 0.0000000), wk = 0.0036101
k( 20) = ( 0.2432432 0.0000000 0.0000000), wk = 0.0036101
k( 21) = ( 0.2297297 0.0000000 0.0000000), wk = 0.0036101
k( 22) = ( 0.2162162 0.0000000 0.0000000), wk = 0.0036101
k( 23) = ( 0.2027027 0.0000000 0.0000000), wk = 0.0036101
k( 24) = ( 0.1891892 0.0000000 0.0000000), wk = 0.0036101
k( 25) = ( 0.1756757 0.0000000 0.0000000), wk = 0.0036101
k( 26) = ( 0.1621622 0.0000000 0.0000000), wk = 0.0036101
k( 27) = ( 0.1486486 0.0000000 0.0000000), wk = 0.0036101
k( 28) = ( 0.1351351 0.0000000 0.0000000), wk = 0.0036101
k( 29) = ( 0.1216216 0.0000000 0.0000000), wk = 0.0036101
k( 30) = ( 0.1081081 0.0000000 0.0000000), wk = 0.0036101
k( 31) = ( 0.0945946 0.0000000 0.0000000), wk = 0.0036101
k( 32) = ( 0.0810811 0.0000000 0.0000000), wk = 0.0036101
k( 33) = ( 0.0675676 0.0000000 0.0000000), wk = 0.0036101
k( 34) = ( 0.0540540 0.0000000 0.0000000), wk = 0.0036101
k( 35) = ( 0.0405405 0.0000000 0.0000000), wk = 0.0036101
k( 36) = ( 0.0270270 0.0000000 0.0000000), wk = 0.0036101
k( 37) = ( 0.0135135 0.0000000 0.0000000), wk = 0.0036101
k( 38) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
k( 39) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
k( 40) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0036101
k( 41) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0036101
k( 42) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0036101
k( 43) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0036101
k( 44) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0036101
k( 45) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0036101
k( 46) = ( 0.0000000 0.0972222 0.0000000), wk = 0.0036101
k( 47) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0036101
k( 48) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0036101
k( 49) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0036101
k( 50) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0036101
k( 51) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0036101
k( 52) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0036101
k( 53) = ( 0.0000000 0.1944444 0.0000000), wk = 0.0036101
k( 54) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0036101
k( 55) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0036101
k( 56) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0036101
k( 57) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0036101
k( 58) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0036101
k( 59) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0036101
k( 60) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0036101
k( 61) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0036101
k( 62) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0036101
k( 63) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0036101
k( 64) = ( 0.0000000 0.3472222 0.0000000), wk = 0.0036101
k( 65) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0036101
k( 66) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0036101
k( 67) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0036101
k( 68) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0036101
k( 69) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0036101
k( 70) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0036101
k( 71) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0036101
k( 72) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0036101
k( 73) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0036101
k( 74) = ( 0.0000000 0.4861111 0.0000000), wk = 0.0036101
k( 75) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036101
k( 76) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036101
k( 77) = ( 0.4875000 0.4875000 0.0000000), wk = 0.0036101
k( 78) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0036101
k( 79) = ( 0.4625000 0.4625000 0.0000000), wk = 0.0036101
k( 80) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0036101
k( 81) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0036101
k( 82) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0036101
k( 83) = ( 0.4125000 0.4125000 0.0000000), wk = 0.0036101
k( 84) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0036101
k( 85) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0036101
k( 86) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0036101
k( 87) = ( 0.3625000 0.3625000 0.0000000), wk = 0.0036101
k( 88) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0036101
k( 89) = ( 0.3375000 0.3375000 0.0000000), wk = 0.0036101
k( 90) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0036101
k( 91) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0036101
k( 92) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0036101
k( 93) = ( 0.2875000 0.2875000 0.0000000), wk = 0.0036101
k( 94) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0036101
k( 95) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0036101
k( 96) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036101
k( 97) = ( 0.2375000 0.2375000 0.0000000), wk = 0.0036101
k( 98) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0036101
k( 99) = ( 0.2125000 0.2125000 0.0000000), wk = 0.0036101
k( 100) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0036101
k( 101) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0036101
k( 102) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0036101
k( 103) = ( 0.1625000 0.1625000 0.0000000), wk = 0.0036101
k( 104) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0036101
k( 105) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0036101
k( 106) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0036101
k( 107) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0036101
k( 108) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0036101
k( 109) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0036101
k( 110) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0036101
k( 111) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0036101
k( 112) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0036101
k( 113) = ( 0.0375000 0.0375000 0.0000000), wk = 0.0036101
k( 114) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0036101
k( 115) = ( 0.0125000 0.0125000 0.0000000), wk = 0.0036101
k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
k( 118) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0036101
k( 119) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0036101
k( 120) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0036101
k( 121) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0036101
k( 122) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0036101
k( 123) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0036101
k( 124) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0036101
k( 125) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0036101
k( 126) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0036101
k( 127) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0036101
k( 128) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0036101
k( 129) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0036101
k( 130) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0036101
k( 131) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0036101
k( 132) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0036101
k( 133) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0036101
k( 134) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0036101
k( 135) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0036101
k( 136) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0036101
k( 137) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0036101
k( 138) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0036101
k( 139) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0036101
k( 140) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0036101
k( 141) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0036101
k( 142) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0036101
k( 143) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0036101
k( 144) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0036101
k( 145) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0036101
k( 146) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0036101
k( 147) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0036101
k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101
k( 149) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036101
k( 150) = ( 0.4893617 0.0000000 0.4893617), wk = 0.0036101
k( 151) = ( 0.4787234 0.0000000 0.4787234), wk = 0.0036101
k( 152) = ( 0.4680851 0.0000000 0.4680851), wk = 0.0036101
k( 153) = ( 0.4574468 0.0000000 0.4574468), wk = 0.0036101
k( 154) = ( 0.4468085 0.0000000 0.4468085), wk = 0.0036101
k( 155) = ( 0.4361702 0.0000000 0.4361702), wk = 0.0036101
k( 156) = ( 0.4255319 0.0000000 0.4255319), wk = 0.0036101
k( 157) = ( 0.4148936 0.0000000 0.4148936), wk = 0.0036101
k( 158) = ( 0.4042553 0.0000000 0.4042553), wk = 0.0036101
k( 159) = ( 0.3936170 0.0000000 0.3936170), wk = 0.0036101
k( 160) = ( 0.3829787 0.0000000 0.3829787), wk = 0.0036101
k( 161) = ( 0.3723404 0.0000000 0.3723404), wk = 0.0036101
k( 162) = ( 0.3617021 0.0000000 0.3617021), wk = 0.0036101
k( 163) = ( 0.3510638 0.0000000 0.3510638), wk = 0.0036101
k( 164) = ( 0.3404255 0.0000000 0.3404255), wk = 0.0036101
k( 165) = ( 0.3297872 0.0000000 0.3297872), wk = 0.0036101
k( 166) = ( 0.3191489 0.0000000 0.3191489), wk = 0.0036101
k( 167) = ( 0.3085106 0.0000000 0.3085106), wk = 0.0036101
k( 168) = ( 0.2978723 0.0000000 0.2978723), wk = 0.0036101
k( 169) = ( 0.2872340 0.0000000 0.2872340), wk = 0.0036101
k( 170) = ( 0.2765957 0.0000000 0.2765957), wk = 0.0036101
k( 171) = ( 0.2659574 0.0000000 0.2659575), wk = 0.0036101
k( 172) = ( 0.2553191 0.0000000 0.2553191), wk = 0.0036101
k( 173) = ( 0.2446809 0.0000000 0.2446809), wk = 0.0036101
k( 174) = ( 0.2340425 0.0000000 0.2340426), wk = 0.0036101
k( 175) = ( 0.2234043 0.0000000 0.2234043), wk = 0.0036101
k( 176) = ( 0.2127660 0.0000000 0.2127660), wk = 0.0036101
k( 177) = ( 0.2021277 0.0000000 0.2021277), wk = 0.0036101
k( 178) = ( 0.1914894 0.0000000 0.1914894), wk = 0.0036101
k( 179) = ( 0.1808511 0.0000000 0.1808511), wk = 0.0036101
k( 180) = ( 0.1702128 0.0000000 0.1702128), wk = 0.0036101
k( 181) = ( 0.1595745 0.0000000 0.1595745), wk = 0.0036101
k( 182) = ( 0.1489362 0.0000000 0.1489362), wk = 0.0036101
k( 183) = ( 0.1382979 0.0000000 0.1382979), wk = 0.0036101
k( 184) = ( 0.1276596 0.0000000 0.1276596), wk = 0.0036101
k( 185) = ( 0.1170213 0.0000000 0.1170213), wk = 0.0036101
k( 186) = ( 0.1063830 0.0000000 0.1063830), wk = 0.0036101
k( 187) = ( 0.0957447 0.0000000 0.0957447), wk = 0.0036101
k( 188) = ( 0.0851064 0.0000000 0.0851064), wk = 0.0036101
k( 189) = ( 0.0744681 0.0000000 0.0744681), wk = 0.0036101
k( 190) = ( 0.0638298 0.0000000 0.0638298), wk = 0.0036101
k( 191) = ( 0.0531915 0.0000000 0.0531915), wk = 0.0036101
k( 192) = ( 0.0425532 0.0000000 0.0425532), wk = 0.0036101
k( 193) = ( 0.0319149 0.0000000 0.0319149), wk = 0.0036101
k( 194) = ( 0.0212766 0.0000000 0.0212766), wk = 0.0036101
k( 195) = ( 0.0106383 0.0000000 0.0106383), wk = 0.0036101
k( 196) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
k( 198) = ( 0.0000000 0.0131579 0.0131579), wk = 0.0036101
k( 199) = ( 0.0000000 0.0263158 0.0263158), wk = 0.0036101
k( 200) = ( 0.0000000 0.0394737 0.0394737), wk = 0.0036101
k( 201) = ( 0.0000000 0.0526316 0.0526316), wk = 0.0036101
k( 202) = ( 0.0000000 0.0657895 0.0657895), wk = 0.0036101
k( 203) = ( 0.0000000 0.0789474 0.0789474), wk = 0.0036101
k( 204) = ( 0.0000000 0.0921053 0.0921053), wk = 0.0036101
k( 205) = ( 0.0000000 0.1052632 0.1052632), wk = 0.0036101
k( 206) = ( 0.0000000 0.1184210 0.1184211), wk = 0.0036101
k( 207) = ( 0.0000000 0.1315790 0.1315790), wk = 0.0036101
k( 208) = ( 0.0000000 0.1447368 0.1447368), wk = 0.0036101
k( 209) = ( 0.0000000 0.1578947 0.1578947), wk = 0.0036101
k( 210) = ( 0.0000000 0.1710526 0.1710526), wk = 0.0036101
k( 211) = ( 0.0000000 0.1842105 0.1842105), wk = 0.0036101
k( 212) = ( 0.0000000 0.1973684 0.1973684), wk = 0.0036101
k( 213) = ( 0.0000000 0.2105263 0.2105263), wk = 0.0036101
k( 214) = ( 0.0000000 0.2236842 0.2236842), wk = 0.0036101
k( 215) = ( 0.0000000 0.2368421 0.2368421), wk = 0.0036101
k( 216) = ( 0.0000000 0.2500000 0.2500000), wk = 0.0036101
k( 217) = ( 0.0000000 0.2631579 0.2631579), wk = 0.0036101
k( 218) = ( 0.0000000 0.2763158 0.2763158), wk = 0.0036101
k( 219) = ( 0.0000000 0.2894737 0.2894737), wk = 0.0036101
k( 220) = ( 0.0000000 0.3026316 0.3026316), wk = 0.0036101
k( 221) = ( 0.0000000 0.3157895 0.3157895), wk = 0.0036101
k( 222) = ( 0.0000000 0.3289474 0.3289474), wk = 0.0036101
k( 223) = ( 0.0000000 0.3421053 0.3421053), wk = 0.0036101
k( 224) = ( 0.0000000 0.3552632 0.3552632), wk = 0.0036101
k( 225) = ( 0.0000000 0.3684211 0.3684211), wk = 0.0036101
k( 226) = ( 0.0000000 0.3815789 0.3815789), wk = 0.0036101
k( 227) = ( 0.0000000 0.3947368 0.3947368), wk = 0.0036101
k( 228) = ( 0.0000000 0.4078947 0.4078947), wk = 0.0036101
k( 229) = ( 0.0000000 0.4210526 0.4210526), wk = 0.0036101
k( 230) = ( 0.0000000 0.4342105 0.4342105), wk = 0.0036101
k( 231) = ( 0.0000000 0.4473684 0.4473684), wk = 0.0036101
k( 232) = ( 0.0000000 0.4605263 0.4605263), wk = 0.0036101
k( 233) = ( 0.0000000 0.4736842 0.4736842), wk = 0.0036101
k( 234) = ( 0.0000000 0.4868421 0.4868421), wk = 0.0036101
k( 235) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036101
k( 236) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036101
k( 237) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0036101
k( 238) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0036101
k( 239) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0036101
k( 240) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0036101
k( 241) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0036101
k( 242) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0036101
k( 243) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0036101
k( 244) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0036101
k( 245) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0036101
k( 246) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0036101
k( 247) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0036101
k( 248) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0036101
k( 249) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0036101
k( 250) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0036101
k( 251) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0036101
k( 252) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0036101
k( 253) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0036101
k( 254) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0036101
k( 255) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0036101
k( 256) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0036101
k( 257) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0036101
k( 258) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0036101
k( 259) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0036101
k( 260) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0036101
k( 261) = ( 0.1951219 0.1951219 0.1951220), wk = 0.0036101
k( 262) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0036101
k( 263) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0036101
k( 264) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0036101
k( 265) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0036101
k( 266) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0036101
k( 267) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0036101
k( 268) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0036101
k( 269) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0036101
k( 270) = ( 0.0853658 0.0853658 0.0853659), wk = 0.0036101
k( 271) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0036101
k( 272) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0036101
k( 273) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0036101
k( 274) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0036101
k( 275) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0036101
k( 276) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0036101
k( 277) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101
Dense grid: 112869 G-vectors FFT dimensions: ( 60, 72, 72)
Smooth grid: 34239 G-vectors FFT dimensions: ( 40, 45, 48)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.26 Mb ( 242, 70)
NL pseudopotentials 0.29 Mb ( 121, 158)
Each V/rho on FFT grid 0.13 Mb ( 8640)
Each G-vector array 0.02 Mb ( 3135)
G-vector shells 0.02 Mb ( 3135)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 1.03 Mb ( 242, 280)
Each subspace H/S matrix 0.07 Mb ( 70, 70)
Each <psi_i|beta_j> matrix 0.34 Mb ( 158, 2, 70)
The potential is recalculated from file :
./HgH3IO6.save/charge-density.dat
Starting wfc are 80 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 5.7 secs
Computing kpt #: 3
total cpu time spent up to now is 6.9 secs
Computing kpt #: 4
total cpu time spent up to now is 8.1 secs
Computing kpt #: 5
total cpu time spent up to now is 9.3 secs
Computing kpt #: 6
total cpu time spent up to now is 10.5 secs
Computing kpt #: 7
total cpu time spent up to now is 11.7 secs
Computing kpt #: 8
total cpu time spent up to now is 12.8 secs
Computing kpt #: 9
total cpu time spent up to now is 14.0 secs
Computing kpt #: 10
total cpu time spent up to now is 15.1 secs
Computing kpt #: 11
total cpu time spent up to now is 16.3 secs
Computing kpt #: 12
total cpu time spent up to now is 17.4 secs
Computing kpt #: 13
total cpu time spent up to now is 18.5 secs
Computing kpt #: 14
total cpu time spent up to now is 19.6 secs
Computing kpt #: 15
total cpu time spent up to now is 20.7 secs
Computing kpt #: 16
total cpu time spent up to now is 21.8 secs
Computing kpt #: 17
total cpu time spent up to now is 22.9 secs
Computing kpt #: 18
total cpu time spent up to now is 24.0 secs
Computing kpt #: 19
total cpu time spent up to now is 25.1 secs
Computing kpt #: 20
total cpu time spent up to now is 26.2 secs
Computing kpt #: 21
total cpu time spent up to now is 27.2 secs
Computing kpt #: 22
total cpu time spent up to now is 28.4 secs
Computing kpt #: 23
total cpu time spent up to now is 29.5 secs
Computing kpt #: 24
total cpu time spent up to now is 30.6 secs
Computing kpt #: 25
total cpu time spent up to now is 31.7 secs
Computing kpt #: 26
total cpu time spent up to now is 32.8 secs
Computing kpt #: 27
total cpu time spent up to now is 34.0 secs
Computing kpt #: 28
total cpu time spent up to now is 35.1 secs
Computing kpt #: 29
total cpu time spent up to now is 36.2 secs
Computing kpt #: 30
total cpu time spent up to now is 37.4 secs
Computing kpt #: 31
total cpu time spent up to now is 38.5 secs
Computing kpt #: 32
total cpu time spent up to now is 39.6 secs
Computing kpt #: 33
total cpu time spent up to now is 40.8 secs
Computing kpt #: 34
total cpu time spent up to now is 41.9 secs
Computing kpt #: 35
total cpu time spent up to now is 43.1 secs
Computing kpt #: 36
total cpu time spent up to now is 44.3 secs
Computing kpt #: 37
total cpu time spent up to now is 45.4 secs
Computing kpt #: 38
total cpu time spent up to now is 46.6 secs
Computing kpt #: 39
total cpu time spent up to now is 47.8 secs
Computing kpt #: 40
total cpu time spent up to now is 48.9 secs
Computing kpt #: 41
total cpu time spent up to now is 50.0 secs
Computing kpt #: 42
total cpu time spent up to now is 51.2 secs
Computing kpt #: 43
total cpu time spent up to now is 52.3 secs
Computing kpt #: 44
total cpu time spent up to now is 53.5 secs
Computing kpt #: 45
total cpu time spent up to now is 54.7 secs
Computing kpt #: 46
total cpu time spent up to now is 55.9 secs
Computing kpt #: 47
total cpu time spent up to now is 57.2 secs
Computing kpt #: 48
total cpu time spent up to now is 58.3 secs
Computing kpt #: 49
total cpu time spent up to now is 59.5 secs
Computing kpt #: 50
total cpu time spent up to now is 60.7 secs
Computing kpt #: 51
total cpu time spent up to now is 61.9 secs
Computing kpt #: 52
total cpu time spent up to now is 63.1 secs
Computing kpt #: 53
total cpu time spent up to now is 64.3 secs
Computing kpt #: 54
total cpu time spent up to now is 65.5 secs
Computing kpt #: 55
total cpu time spent up to now is 66.7 secs
Computing kpt #: 56
total cpu time spent up to now is 67.9 secs
Computing kpt #: 57
total cpu time spent up to now is 69.1 secs
Computing kpt #: 58
total cpu time spent up to now is 70.3 secs
Computing kpt #: 59
total cpu time spent up to now is 71.5 secs
Computing kpt #: 60
total cpu time spent up to now is 72.7 secs
Computing kpt #: 61
total cpu time spent up to now is 73.9 secs
Computing kpt #: 62
total cpu time spent up to now is 75.1 secs
Computing kpt #: 63
total cpu time spent up to now is 76.3 secs
Computing kpt #: 64
total cpu time spent up to now is 77.5 secs
Computing kpt #: 65
total cpu time spent up to now is 78.7 secs
Computing kpt #: 66
total cpu time spent up to now is 79.9 secs
Computing kpt #: 67
total cpu time spent up to now is 81.1 secs
Computing kpt #: 68
total cpu time spent up to now is 82.2 secs
Computing kpt #: 69
total cpu time spent up to now is 83.4 secs
Computing kpt #: 70
total cpu time spent up to now is 84.5 secs
Computing kpt #: 71
total cpu time spent up to now is 85.7 secs
Computing kpt #: 72
total cpu time spent up to now is 86.9 secs
Computing kpt #: 73
total cpu time spent up to now is 88.0 secs
Computing kpt #: 74
total cpu time spent up to now is 89.1 secs
Computing kpt #: 75
total cpu time spent up to now is 90.2 secs
Computing kpt #: 76
total cpu time spent up to now is 91.4 secs
Computing kpt #: 77
total cpu time spent up to now is 92.6 secs
Computing kpt #: 78
total cpu time spent up to now is 93.8 secs
Computing kpt #: 79
total cpu time spent up to now is 95.0 secs
Computing kpt #: 80
total cpu time spent up to now is 96.3 secs
Computing kpt #: 81
total cpu time spent up to now is 97.5 secs
Computing kpt #: 82
total cpu time spent up to now is 98.7 secs
Computing kpt #: 83
total cpu time spent up to now is 100.3 secs
Computing kpt #: 84
total cpu time spent up to now is 101.6 secs
Computing kpt #: 85
total cpu time spent up to now is 102.9 secs
Computing kpt #: 86
total cpu time spent up to now is 104.3 secs
Computing kpt #: 87
total cpu time spent up to now is 106.1 secs
Computing kpt #: 88
total cpu time spent up to now is 107.8 secs
Computing kpt #: 89
total cpu time spent up to now is 109.5 secs
Computing kpt #: 90
total cpu time spent up to now is 110.8 secs
Computing kpt #: 91
total cpu time spent up to now is 112.0 secs
Computing kpt #: 92
total cpu time spent up to now is 113.5 secs
Computing kpt #: 93
total cpu time spent up to now is 114.8 secs
Computing kpt #: 94
total cpu time spent up to now is 116.0 secs
Computing kpt #: 95
total cpu time spent up to now is 117.3 secs
Computing kpt #: 96
total cpu time spent up to now is 118.5 secs
Computing kpt #: 97
total cpu time spent up to now is 119.8 secs
Computing kpt #: 98
total cpu time spent up to now is 121.0 secs
Computing kpt #: 99
total cpu time spent up to now is 122.2 secs
Computing kpt #: 100
total cpu time spent up to now is 123.4 secs
Computing kpt #: 101
total cpu time spent up to now is 124.6 secs
Computing kpt #: 102
total cpu time spent up to now is 125.8 secs
Computing kpt #: 103
total cpu time spent up to now is 127.0 secs
Computing kpt #: 104
total cpu time spent up to now is 128.2 secs
Computing kpt #: 105
total cpu time spent up to now is 129.4 secs
Computing kpt #: 106
total cpu time spent up to now is 130.5 secs
Computing kpt #: 107
total cpu time spent up to now is 131.7 secs
Computing kpt #: 108
total cpu time spent up to now is 132.9 secs
Computing kpt #: 109
total cpu time spent up to now is 134.1 secs
Computing kpt #: 110
total cpu time spent up to now is 135.3 secs
Computing kpt #: 111
total cpu time spent up to now is 136.5 secs
Computing kpt #: 112
total cpu time spent up to now is 137.7 secs
Computing kpt #: 113
total cpu time spent up to now is 138.9 secs
Computing kpt #: 114
total cpu time spent up to now is 140.0 secs
Computing kpt #: 115
total cpu time spent up to now is 141.2 secs
Computing kpt #: 116
total cpu time spent up to now is 142.3 secs
Computing kpt #: 117
total cpu time spent up to now is 143.5 secs
Computing kpt #: 118
total cpu time spent up to now is 144.7 secs
Computing kpt #: 119
total cpu time spent up to now is 145.9 secs
Computing kpt #: 120
total cpu time spent up to now is 147.0 secs
Computing kpt #: 121
total cpu time spent up to now is 148.2 secs
Computing kpt #: 122
total cpu time spent up to now is 149.4 secs
Computing kpt #: 123
total cpu time spent up to now is 150.6 secs
Computing kpt #: 124
total cpu time spent up to now is 151.8 secs
Computing kpt #: 125
total cpu time spent up to now is 153.0 secs
Computing kpt #: 126
total cpu time spent up to now is 154.2 secs
Computing kpt #: 127
total cpu time spent up to now is 155.4 secs
Computing kpt #: 128
total cpu time spent up to now is 156.6 secs
Computing kpt #: 129
total cpu time spent up to now is 157.8 secs
Computing kpt #: 130
total cpu time spent up to now is 159.0 secs
Computing kpt #: 131
total cpu time spent up to now is 160.2 secs
Computing kpt #: 132
total cpu time spent up to now is 161.3 secs
Computing kpt #: 133
total cpu time spent up to now is 162.7 secs
Computing kpt #: 134
total cpu time spent up to now is 163.9 secs
Computing kpt #: 135
total cpu time spent up to now is 165.1 secs
Computing kpt #: 136
total cpu time spent up to now is 166.3 secs
Computing kpt #: 137
total cpu time spent up to now is 167.5 secs
Computing kpt #: 138
total cpu time spent up to now is 168.7 secs
Computing kpt #: 139
total cpu time spent up to now is 169.9 secs
Computing kpt #: 140
total cpu time spent up to now is 171.0 secs
Computing kpt #: 141
total cpu time spent up to now is 172.2 secs
Computing kpt #: 142
total cpu time spent up to now is 173.4 secs
Computing kpt #: 143
total cpu time spent up to now is 174.6 secs
Computing kpt #: 144
total cpu time spent up to now is 175.8 secs
Computing kpt #: 145
total cpu time spent up to now is 177.2 secs
Computing kpt #: 146
total cpu time spent up to now is 178.3 secs
Computing kpt #: 147
total cpu time spent up to now is 179.5 secs
Computing kpt #: 148
total cpu time spent up to now is 180.7 secs
Computing kpt #: 149
total cpu time spent up to now is 182.0 secs
Computing kpt #: 150
total cpu time spent up to now is 183.2 secs
Computing kpt #: 151
total cpu time spent up to now is 184.3 secs
Computing kpt #: 152
total cpu time spent up to now is 185.5 secs
Computing kpt #: 153
total cpu time spent up to now is 186.6 secs
Computing kpt #: 154
total cpu time spent up to now is 187.8 secs
Computing kpt #: 155
total cpu time spent up to now is 188.9 secs
Computing kpt #: 156
total cpu time spent up to now is 190.1 secs
Computing kpt #: 157
total cpu time spent up to now is 191.3 secs
Computing kpt #: 158
total cpu time spent up to now is 192.5 secs
Computing kpt #: 159
total cpu time spent up to now is 193.7 secs
Computing kpt #: 160
total cpu time spent up to now is 194.9 secs
Computing kpt #: 161
total cpu time spent up to now is 196.1 secs
Computing kpt #: 162
total cpu time spent up to now is 197.3 secs
Computing kpt #: 163
total cpu time spent up to now is 198.5 secs
Computing kpt #: 164
total cpu time spent up to now is 199.7 secs
Computing kpt #: 165
total cpu time spent up to now is 200.9 secs
Computing kpt #: 166
total cpu time spent up to now is 202.1 secs
Computing kpt #: 167
total cpu time spent up to now is 203.3 secs
Computing kpt #: 168
total cpu time spent up to now is 204.5 secs
Computing kpt #: 169
total cpu time spent up to now is 205.6 secs
Computing kpt #: 170
total cpu time spent up to now is 206.8 secs
Computing kpt #: 171
total cpu time spent up to now is 208.0 secs
Computing kpt #: 172
total cpu time spent up to now is 209.1 secs
Computing kpt #: 173
total cpu time spent up to now is 210.3 secs
Computing kpt #: 174
total cpu time spent up to now is 211.5 secs
Computing kpt #: 175
total cpu time spent up to now is 212.6 secs
Computing kpt #: 176
total cpu time spent up to now is 213.7 secs
Computing kpt #: 177
total cpu time spent up to now is 214.9 secs
Computing kpt #: 178
total cpu time spent up to now is 216.1 secs
Computing kpt #: 179
total cpu time spent up to now is 217.2 secs
Computing kpt #: 180
total cpu time spent up to now is 218.4 secs
Computing kpt #: 181
total cpu time spent up to now is 219.5 secs
Computing kpt #: 182
total cpu time spent up to now is 220.6 secs
Computing kpt #: 183
total cpu time spent up to now is 221.8 secs
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total cpu time spent up to now is 222.9 secs
Computing kpt #: 185
total cpu time spent up to now is 224.1 secs
Computing kpt #: 186
total cpu time spent up to now is 225.3 secs
Computing kpt #: 187
total cpu time spent up to now is 226.5 secs
Computing kpt #: 188
total cpu time spent up to now is 227.7 secs
Computing kpt #: 189
total cpu time spent up to now is 228.9 secs
Computing kpt #: 190
total cpu time spent up to now is 230.1 secs
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total cpu time spent up to now is 231.2 secs
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total cpu time spent up to now is 232.4 secs
Computing kpt #: 193
total cpu time spent up to now is 233.5 secs
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total cpu time spent up to now is 234.7 secs
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total cpu time spent up to now is 235.9 secs
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total cpu time spent up to now is 237.0 secs
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total cpu time spent up to now is 238.1 secs
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total cpu time spent up to now is 239.3 secs
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total cpu time spent up to now is 240.5 secs
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total cpu time spent up to now is 241.6 secs
Computing kpt #: 201
total cpu time spent up to now is 242.7 secs
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total cpu time spent up to now is 243.9 secs
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total cpu time spent up to now is 245.1 secs
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total cpu time spent up to now is 246.2 secs
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total cpu time spent up to now is 247.3 secs
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total cpu time spent up to now is 248.5 secs
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total cpu time spent up to now is 249.7 secs
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total cpu time spent up to now is 250.9 secs
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total cpu time spent up to now is 252.2 secs
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total cpu time spent up to now is 253.7 secs
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total cpu time spent up to now is 254.8 secs
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total cpu time spent up to now is 255.9 secs
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total cpu time spent up to now is 257.1 secs
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total cpu time spent up to now is 258.3 secs
Computing kpt #: 215
total cpu time spent up to now is 259.5 secs
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total cpu time spent up to now is 260.7 secs
Computing kpt #: 217
total cpu time spent up to now is 261.9 secs
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total cpu time spent up to now is 263.0 secs
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total cpu time spent up to now is 264.2 secs
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total cpu time spent up to now is 265.3 secs
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total cpu time spent up to now is 266.5 secs
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total cpu time spent up to now is 267.7 secs
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total cpu time spent up to now is 268.8 secs
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total cpu time spent up to now is 270.0 secs
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total cpu time spent up to now is 271.1 secs
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total cpu time spent up to now is 272.2 secs
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total cpu time spent up to now is 273.4 secs
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total cpu time spent up to now is 274.5 secs
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total cpu time spent up to now is 275.6 secs
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total cpu time spent up to now is 276.8 secs
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total cpu time spent up to now is 277.9 secs
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total cpu time spent up to now is 279.0 secs
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total cpu time spent up to now is 280.2 secs
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total cpu time spent up to now is 281.3 secs
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total cpu time spent up to now is 282.5 secs
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total cpu time spent up to now is 283.9 secs
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total cpu time spent up to now is 285.1 secs
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total cpu time spent up to now is 286.3 secs
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total cpu time spent up to now is 287.5 secs
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total cpu time spent up to now is 288.7 secs
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total cpu time spent up to now is 290.0 secs
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total cpu time spent up to now is 291.4 secs
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total cpu time spent up to now is 292.6 secs
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total cpu time spent up to now is 294.2 secs
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total cpu time spent up to now is 295.4 secs
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total cpu time spent up to now is 296.6 secs
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total cpu time spent up to now is 297.9 secs
Computing kpt #: 248
total cpu time spent up to now is 299.0 secs
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total cpu time spent up to now is 300.2 secs
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total cpu time spent up to now is 301.4 secs
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total cpu time spent up to now is 302.5 secs
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total cpu time spent up to now is 303.7 secs
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total cpu time spent up to now is 304.9 secs
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total cpu time spent up to now is 306.0 secs
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total cpu time spent up to now is 307.1 secs
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total cpu time spent up to now is 308.3 secs
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total cpu time spent up to now is 309.4 secs
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total cpu time spent up to now is 310.5 secs
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total cpu time spent up to now is 311.7 secs
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total cpu time spent up to now is 312.8 secs
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total cpu time spent up to now is 314.0 secs
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total cpu time spent up to now is 315.1 secs
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total cpu time spent up to now is 316.3 secs
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total cpu time spent up to now is 317.4 secs
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total cpu time spent up to now is 318.5 secs
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total cpu time spent up to now is 319.6 secs
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total cpu time spent up to now is 320.8 secs
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total cpu time spent up to now is 322.0 secs
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total cpu time spent up to now is 323.1 secs
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total cpu time spent up to now is 324.2 secs
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total cpu time spent up to now is 325.4 secs
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total cpu time spent up to now is 326.5 secs
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total cpu time spent up to now is 327.7 secs
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total cpu time spent up to now is 328.8 secs
Computing kpt #: 275
total cpu time spent up to now is 330.0 secs
Computing kpt #: 276
total cpu time spent up to now is 331.1 secs
Computing kpt #: 277
total cpu time spent up to now is 332.3 secs
ethr = 1.72E-08, avg # of iterations = 28.0
total cpu time spent up to now is 332.3 secs
End of band structure calculation
k = 0.5000-0.2454-0.0344 ( 4286 PWs) bands (ev):
-22.4739 -22.4739 -21.5734 -21.5734 -20.3538 -20.3538 -15.0406 -15.0406
-13.7591 -13.7591 -12.0202 -12.0202 -7.6093 -7.6093 -4.3841 -4.3841
-3.4681 -3.4681 -2.3520 -2.3520 -1.9072 -1.9072 -1.3186 -1.3186
-1.1232 -1.1232 -0.7198 -0.7198 -0.2676 -0.2676 0.2573 0.2573
0.7366 0.7366 0.8863 0.8863 1.1109 1.1109 1.2409 1.2409
1.6488 1.6488 2.2801 2.2801 2.3790 2.3790 2.7219 2.7219
2.9874 2.9874 3.2385 3.2385 3.8172 3.8172 4.4612 4.4612
4.6228 4.6228 7.0130 7.0130 8.4523 8.4523 10.6473 10.6473
11.5438 11.5438 12.1365 12.1365 13.2154 13.2154
k = 0.4865-0.2388-0.0334 ( 4286 PWs) bands (ev):
-22.4739 -22.4738 -21.5734 -21.5734 -20.3539 -20.3538 -15.0408 -15.0406
-13.7590 -13.7584 -12.0206 -12.0199 -7.6105 -7.6093 -4.3865 -4.3822
-3.4705 -3.4636 -2.3529 -2.3511 -1.9135 -1.9011 -1.3271 -1.3098
-1.1292 -1.1169 -0.7299 -0.7100 -0.2730 -0.2621 0.2487 0.2648
0.7315 0.7400 0.8817 0.8893 1.1010 1.1210 1.2168 1.2610
1.6418 1.6629 2.2678 2.2856 2.3692 2.3947 2.7212 2.7236
2.9820 2.9921 3.2382 3.2408 3.8136 3.8211 4.4591 4.4615
4.6224 4.6243 7.0089 7.0133 8.4483 8.4596 10.6375 10.6570
11.5391 11.5516 12.1310 12.1396 13.2005 13.2273
k = 0.4730-0.2321-0.0325 ( 4287 PWs) bands (ev):
-22.4740 -22.4739 -21.5734 -21.5734 -20.3538 -20.3538 -15.0413 -15.0408
-13.7580 -13.7568 -12.0211 -12.0197 -7.6127 -7.6103 -4.3893 -4.3808
-3.4707 -3.4569 -2.3539 -2.3502 -1.9199 -1.8952 -1.3353 -1.3009
-1.1348 -1.1101 -0.7404 -0.7007 -0.2783 -0.2567 0.2391 0.2712
0.7242 0.7421 0.8769 0.8893 1.0910 1.1307 1.1911 1.2762
1.6427 1.6824 2.2523 2.2808 2.3692 2.4126 2.7213 2.7263
2.9761 2.9960 3.2397 3.2449 3.8103 3.8253 4.4554 4.4601
4.6231 4.6269 7.0012 7.0097 8.4475 8.4699 10.6278 10.6665
11.5377 11.5625 12.1231 12.1405 13.1831 13.2359
k = 0.4595-0.2255-0.0316 ( 4286 PWs) bands (ev):
-22.4741 -22.4740 -21.5734 -21.5733 -20.3538 -20.3537 -15.0420 -15.0413
-13.7563 -13.7545 -12.0218 -12.0197 -7.6160 -7.6125 -4.3925 -4.3800
-3.4688 -3.4482 -2.3549 -2.3493 -1.9264 -1.8894 -1.3432 -1.2917
-1.1400 -1.1030 -0.7513 -0.6916 -0.2836 -0.2514 0.2286 0.2764
0.7144 0.7430 0.8720 0.8859 1.0795 1.1360 1.1708 1.2870
1.6517 1.7058 2.2357 2.2672 2.3773 2.4308 2.7224 2.7301
2.9701 2.9991 3.2430 3.2508 3.8073 3.8296 4.4502 4.4571
4.6248 4.6306 6.9898 7.0023 8.4499 8.4832 10.6181 10.6757
11.5392 11.5763 12.1128 12.1396 13.1636 13.2407
k = 0.4459-0.2189-0.0306 ( 4288 PWs) bands (ev):
-22.4744 -22.4742 -21.5735 -21.5733 -20.3537 -20.3537 -15.0429 -15.0420
-13.7537 -13.7513 -12.0225 -12.0198 -7.6204 -7.6157 -4.3960 -4.3797
-3.4647 -3.4375 -2.3560 -2.3485 -1.9330 -1.8839 -1.3507 -1.2824
-1.1449 -1.0955 -0.7627 -0.6828 -0.2888 -0.2463 0.2173 0.2803
0.7019 0.7429 0.8650 0.8809 1.0645 1.1247 1.1705 1.2953
1.6675 1.7316 2.2189 2.2493 2.3892 2.4480 2.7241 2.7350
2.9645 3.0015 3.2481 3.2583 3.8048 3.8340 4.4436 4.4525
4.6275 4.6351 6.9749 6.9912 8.4555 8.4993 10.6088 10.6846
11.5432 11.5925 12.1004 12.1374 13.1422 13.2413
k = 0.4324-0.2122-0.0297 ( 4289 PWs) bands (ev):
-22.4747 -22.4745 -21.5735 -21.5733 -20.3537 -20.3536 -15.0440 -15.0429
-13.7503 -13.7474 -12.0234 -12.0200 -7.6258 -7.6200 -4.3999 -4.3800
-3.4584 -3.4248 -2.3571 -2.3477 -1.9397 -1.8785 -1.3578 -1.2730
-1.1493 -1.0877 -0.7746 -0.6743 -0.2937 -0.2413 0.2051 0.2829
0.6870 0.7414 0.8514 0.8785 1.0453 1.1059 1.1831 1.3034
1.6884 1.7586 2.2026 2.2303 2.4019 2.4637 2.7263 2.7411
2.9596 3.0034 3.2546 3.2672 3.8026 3.8384 4.4358 4.4466
4.6311 4.6404 6.9568 6.9765 8.4643 8.5182 10.5997 10.6932
11.5489 11.6106 12.0864 12.1347 13.1195 13.2376
k = 0.4189-0.2056-0.0288 ( 4283 PWs) bands (ev):
-22.4749 -22.4748 -21.5734 -21.5732 -20.3535 -20.3534 -15.0453 -15.0440
-13.7462 -13.7428 -12.0244 -12.0203 -7.6321 -7.6253 -4.4040 -4.3807
-3.4501 -3.4102 -2.3581 -2.3470 -1.9464 -1.8734 -1.3645 -1.2636
-1.1532 -1.0795 -0.7870 -0.6660 -0.2985 -0.2366 0.1922 0.2842
0.6700 0.7372 0.8319 0.8784 1.0238 1.0877 1.1999 1.3128
1.7121 1.7858 2.1871 2.2118 2.4143 2.4774 2.7288 2.7483
2.9561 3.0052 3.2626 3.2774 3.8009 3.8427 4.4269 4.4394
4.6353 4.6464 6.9355 6.9582 8.4763 8.5398 10.5912 10.7015
11.5554 11.6300 12.0713 12.1326 13.0954 13.2294
k = 0.4054-0.1990-0.0279 ( 4287 PWs) bands (ev):
-22.4755 -22.4753 -21.5734 -21.5732 -20.3534 -20.3533 -15.0468 -15.0453
-13.7413 -13.7374 -12.0255 -12.0208 -7.6394 -7.6316 -4.4083 -4.3821
-3.4397 -3.3939 -2.3593 -2.3463 -1.9532 -1.8684 -1.3708 -1.2543
-1.1567 -1.0712 -0.8001 -0.6580 -0.3030 -0.2322 0.1786 0.2841
0.6514 0.7278 0.8098 0.8784 1.0031 1.0708 1.2192 1.3244
1.7370 1.8122 2.1726 2.1955 2.4254 2.4887 2.7315 2.7567
2.9544 3.0072 3.2717 3.2888 3.7995 3.8469 4.4172 4.4312
4.6401 4.6528 6.9113 6.9365 8.4913 8.5637 10.5831 10.7094
11.5613 11.6496 12.0561 12.1320 13.0704 13.2169
k = 0.3919-0.1923-0.0269 ( 4280 PWs) bands (ev):
-22.4759 -22.4757 -21.5733 -21.5730 -20.3533 -20.3531 -15.0485 -15.0468
-13.7358 -13.7313 -12.0267 -12.0214 -7.6475 -7.6388 -4.4128 -4.3839
-3.4272 -3.3757 -2.3604 -2.3455 -1.9599 -1.8636 -1.3766 -1.2452
-1.1596 -1.0627 -0.8137 -0.6502 -0.3073 -0.2282 0.1641 0.2826
0.6318 0.7093 0.7901 0.8760 0.9860 1.0558 1.2404 1.3380
1.7612 1.8370 2.1590 2.1827 2.4348 2.4975 2.7343 2.7661
2.9548 3.0096 3.2818 3.3012 3.7986 3.8509 4.4068 4.4221
4.6455 4.6596 6.8844 6.9117 8.5092 8.5900 10.5754 10.7170
11.5653 11.6685 12.0421 12.1343 13.0447 13.2004
k = 0.3784-0.1857-0.0260 ( 4280 PWs) bands (ev):
-22.4764 -22.4762 -21.5732 -21.5730 -20.3531 -20.3529 -15.0503 -15.0484
-13.7295 -13.7247 -12.0279 -12.0221 -7.6565 -7.6469 -4.4174 -4.3863
-3.4129 -3.3559 -2.3616 -2.3449 -1.9666 -1.8589 -1.3819 -1.2366
-1.1617 -1.0540 -0.8280 -0.6428 -0.3113 -0.2246 0.1487 0.2797
0.6115 0.6798 0.7752 0.8691 0.9744 1.0440 1.2631 1.3536
1.7831 1.8592 2.1469 2.1747 2.4420 2.5036 2.7373 2.7763
2.9575 3.0129 3.2928 3.3145 3.7980 3.8546 4.3960 4.4123
4.6512 4.6667 6.8549 6.8839 8.5298 8.6184 10.5683 10.7243
11.5657 11.6849 12.0310 12.1409 13.0184 13.1801
k = 0.3649-0.1791-0.0251 ( 4278 PWs) bands (ev):
-22.4769 -22.4767 -21.5731 -21.5728 -20.3529 -20.3527 -15.0523 -15.0503
-13.7227 -13.7174 -12.0293 -12.0230 -7.6661 -7.6558 -4.4221 -4.3891
-3.3967 -3.3346 -2.3628 -2.3443 -1.9731 -1.8544 -1.3868 -1.2289
-1.1627 -1.0453 -0.8429 -0.6356 -0.3150 -0.2214 0.1324 0.2754
0.5910 0.6419 0.7628 0.8566 0.9688 1.0368 1.2867 1.3705
1.8016 1.8781 2.1375 2.1718 2.4470 2.5073 2.7406 2.7871
2.9626 3.0172 3.3044 3.3285 3.7977 3.8579 4.3848 4.4018
4.6573 4.6740 6.8231 6.8535 8.5531 8.6488 10.5616 10.7313
11.5614 11.6968 12.0251 12.1527 12.9917 13.1566
k = 0.3514-0.1724-0.0241 ( 4275 PWs) bands (ev):
-22.4775 -22.4773 -21.5731 -21.5727 -20.3527 -20.3525 -15.0544 -15.0522
-13.7153 -13.7096 -12.0307 -12.0239 -7.6765 -7.6655 -4.4268 -4.3922
-3.3787 -3.3117 -2.3640 -2.3437 -1.9795 -1.8501 -1.3910 -1.2224
-1.1623 -1.0366 -0.8585 -0.6288 -0.3185 -0.2188 0.1149 0.2698
0.5705 0.5993 0.7499 0.8399 0.9680 1.0351 1.3111 1.3886
1.8155 1.8926 2.1325 2.1738 2.4496 2.5087 2.7446 2.7982
2.9699 3.0228 3.3166 3.3432 3.7977 3.8608 4.3735 4.3910
4.6637 4.6814 6.7893 6.8206 8.5789 8.6811 10.5553 10.7381
11.5516 11.7020 12.0269 12.1703 12.9650 13.1303
k = 0.3378-0.1658-0.0232 ( 4276 PWs) bands (ev):
-22.4782 -22.4779 -21.5730 -21.5727 -20.3526 -20.3523 -15.0565 -15.0543
-13.7074 -13.7014 -12.0323 -12.0250 -7.6874 -7.6758 -4.4315 -4.3958
-3.3592 -3.2874 -2.3652 -2.3432 -1.9858 -1.8458 -1.3947 -1.2178
-1.1599 -1.0281 -0.8746 -0.6223 -0.3216 -0.2167 0.0960 0.2629
0.5490 0.5554 0.7341 0.8213 0.9705 1.0389 1.3358 1.4072
1.8245 1.9020 2.1329 2.1801 2.4498 2.5080 2.7495 2.8095
2.9792 3.0297 3.3293 3.3582 3.7980 3.8632 4.3622 4.3798
4.6702 4.6889 6.7536 6.7854 8.6069 8.7150 10.5492 10.7445
11.5360 11.6989 12.0378 12.1937 12.9384 13.1017
k = 0.3243-0.1592-0.0223 ( 4272 PWs) bands (ev):
-22.4789 -22.4786 -21.5729 -21.5725 -20.3523 -20.3521 -15.0588 -15.0564
-13.6991 -13.6927 -12.0338 -12.0262 -7.6988 -7.6867 -4.4361 -4.3996
-3.3380 -3.2619 -2.3664 -2.3427 -1.9918 -1.8416 -1.3979 -1.2154
-1.1552 -1.0199 -0.8911 -0.6162 -0.3244 -0.2152 0.0756 0.2546
0.5071 0.5317 0.7150 0.8026 0.9757 1.0472 1.3605 1.4261
1.8290 1.9062 2.1392 2.1897 2.4480 2.5058 2.7556 2.8207
2.9899 3.0380 3.3423 3.3736 3.7986 3.8652 4.3511 4.3686
4.6770 4.6964 6.7163 6.7484 8.6371 8.7506 10.5433 10.7504
11.5152 11.6875 12.0581 12.2223 12.9123 13.0714
k = 0.3108-0.1525-0.0214 ( 4269 PWs) bands (ev):
-22.4796 -22.4793 -21.5728 -21.5724 -20.3521 -20.3519 -15.0611 -15.0587
-13.6903 -13.6837 -12.0355 -12.0274 -7.7105 -7.6981 -4.4407 -4.4038
-3.3155 -3.2351 -2.3677 -2.3423 -1.9976 -1.8376 -1.4004 -1.2151
-1.1485 -1.0125 -0.9079 -0.6106 -0.3269 -0.2143 0.0534 0.2449
0.4609 0.5130 0.6926 0.7848 0.9832 1.0590 1.3849 1.4448
1.8298 1.9058 2.1508 2.2015 2.4442 2.5026 2.7629 2.8320
3.0018 3.0476 3.3556 3.3892 3.7993 3.8665 4.3404 4.3574
4.6838 4.7039 6.6777 6.7097 8.6693 8.7875 10.5373 10.7558
11.4897 11.6690 12.0864 12.2554 12.8872 13.0398
k = 0.2973-0.1459-0.0204 ( 4267 PWs) bands (ev):
-22.4803 -22.4800 -21.5727 -21.5723 -20.3519 -20.3516 -15.0635 -15.0610
-13.6812 -13.6744 -12.0371 -12.0288 -7.7227 -7.7099 -4.4452 -4.4081
-3.2916 -3.2073 -2.3689 -2.3419 -2.0031 -1.8336 -1.4023 -1.2164
-1.1401 -1.0062 -0.9243 -0.6056 -0.3292 -0.2141 0.0293 0.2340
0.4156 0.4954 0.6682 0.7680 0.9929 1.0733 1.4085 1.4631
1.8281 1.9021 2.1658 2.2140 2.4391 2.4993 2.7717 2.8431
3.0145 3.0582 3.3689 3.4048 3.8003 3.8673 4.3302 4.3465
4.6907 4.7112 6.6378 6.6696 8.7032 8.8257 10.5311 10.7603
11.4606 11.6451 12.1207 12.2920 12.8636 13.0075
k = 0.2838-0.1393-0.0195 ( 4273 PWs) bands (ev):
-22.4812 -22.4808 -21.5727 -21.5723 -20.3517 -20.3514 -15.0659 -15.0634
-13.6719 -13.6648 -12.0388 -12.0303 -7.7351 -7.7220 -4.4496 -4.4127
-3.2666 -3.1786 -2.3701 -2.3415 -2.0083 -1.8297 -1.4036 -1.2190
-1.1307 -1.0026 -0.9390 -0.6013 -0.3313 -0.2145 0.0031 0.2215
0.3717 0.4789 0.6428 0.7519 1.0045 1.0893 1.4309 1.4806
1.8251 1.8967 2.1823 2.2262 2.4332 2.4965 2.7817 2.8543
3.0275 3.0695 3.3824 3.4204 3.8014 3.8675 4.3208 4.3360
4.6976 4.7183 6.5970 6.6283 8.7388 8.8650 10.5246 10.7639
11.4287 11.6175 12.1592 12.3308 12.8423 12.9751
k = 0.2703-0.1326-0.0186 ( 4276 PWs) bands (ev):
-22.4820 -22.4817 -21.5726 -21.5722 -20.3515 -20.3512 -15.0683 -15.0658
-13.6623 -13.6552 -12.0406 -12.0318 -7.7476 -7.7344 -4.4538 -4.4173
-3.2405 -3.1491 -2.3713 -2.3412 -2.0131 -1.8258 -1.4043 -1.2225
-1.1207 -1.0041 -0.9494 -0.5978 -0.3334 -0.2156 -0.0249 0.2074
0.3302 0.4634 0.6176 0.7366 1.0178 1.1066 1.4516 1.4968
1.8218 1.8908 2.1980 2.2374 2.4273 2.4950 2.7931 2.8655
3.0408 3.0812 3.3957 3.4357 3.8025 3.8670 4.3123 4.3262
4.7045 4.7253 6.5556 6.5862 8.7758 8.9052 10.5175 10.7661
11.3952 11.5874 12.2000 12.3705 12.8244 12.9432
k = 0.2568-0.1260-0.0176 ( 4278 PWs) bands (ev):
-22.4828 -22.4825 -21.5726 -21.5722 -20.3512 -20.3510 -15.0707 -15.0681
-13.6526 -13.6454 -12.0423 -12.0334 -7.7602 -7.7470 -4.4578 -4.4220
-3.2136 -3.1189 -2.3724 -2.3410 -2.0175 -1.8221 -1.4043 -1.2267
-1.1103 -1.0130 -0.9532 -0.5953 -0.3355 -0.2174 -0.0544 0.1910
0.2921 0.4487 0.5936 0.7217 1.0324 1.1248 1.4700 1.5115
1.8192 1.8856 2.2103 2.2473 2.4224 2.4955 2.8056 2.8771
3.0539 3.0929 3.4089 3.4508 3.8037 3.8659 4.3049 4.3171
4.7112 4.7319 6.5137 6.5435 8.8141 8.9462 10.5097 10.7667
11.3609 11.5560 12.2413 12.4096 12.8111 12.9126
k = 0.2432-0.1194-0.0167 ( 4276 PWs) bands (ev):
-22.4836 -22.4833 -21.5725 -21.5721 -20.3510 -20.3507 -15.0730 -15.0705
-13.6429 -13.6356 -12.0441 -12.0351 -7.7727 -7.7596 -4.4617 -4.4268
-3.1859 -3.0882 -2.3734 -2.3407 -2.0214 -1.8185 -1.4037 -1.2316
-1.1001 -1.0276 -0.9517 -0.5940 -0.3380 -0.2199 -0.0845 0.1715
0.2587 0.4345 0.5714 0.7074 1.0482 1.1438 1.4855 1.5243
1.8183 1.8820 2.2175 2.2555 2.4200 2.4981 2.8192 2.8890
3.0667 3.1043 3.4219 3.4654 3.8049 3.8643 4.2987 4.3091
4.7178 4.7382 6.4716 6.5005 8.8535 8.9879 10.5010 10.7651
11.3268 11.5240 12.2811 12.4465 12.8041 12.8847
k = 0.2297-0.1127-0.0158 ( 4278 PWs) bands (ev):
-22.4844 -22.4841 -21.5724 -21.5720 -20.3508 -20.3505 -15.0754 -15.0729
-13.6331 -13.6258 -12.0458 -12.0369 -7.7851 -7.7722 -4.4654 -4.4315
-3.1576 -3.0573 -2.3744 -2.3406 -2.0248 -1.8150 -1.4024 -1.2369
-1.0913 -1.0439 -0.9479 -0.5942 -0.3411 -0.2234 -0.1141 0.1477
0.2311 0.4203 0.5516 0.6936 1.0648 1.1632 1.4976 1.5349
1.8195 1.8805 2.2190 2.2607 2.4212 2.5028 2.8338 2.9015
3.0790 3.1152 3.4346 3.4795 3.8060 3.8621 4.2937 4.3022
4.7242 4.7442 6.4296 6.4575 8.8937 9.0299 10.4913 10.7610
11.2937 11.4919 12.3172 12.4793 12.8047 12.8614
k = 0.2162-0.1061-0.0149 ( 4277 PWs) bands (ev):
-22.4852 -22.4848 -21.5722 -21.5718 -20.3505 -20.3503 -15.0776 -15.0752
-13.6234 -13.6162 -12.0475 -12.0386 -7.7973 -7.7846 -4.4688 -4.4362
-3.1289 -3.0263 -2.3752 -2.3404 -2.0275 -1.8118 -1.4006 -1.2428
-1.0884 -1.0557 -0.9433 -0.5964 -0.3454 -0.2278 -0.1419 0.1200
0.2095 0.4057 0.5349 0.6803 1.0821 1.1828 1.5059 1.5432
1.8235 1.8816 2.2157 2.2616 2.4269 2.5093 2.8491 2.9146
3.0905 3.1252 3.4470 3.4929 3.8069 3.8593 4.2901 4.2967
4.7303 4.7497 6.3879 6.4146 8.9348 9.0721 10.4805 10.7539
11.2624 11.4603 12.3471 12.5065 12.8114 12.8479
k = 0.2027-0.0995-0.0139 ( 4280 PWs) bands (ev):
-22.4860 -22.4857 -21.5722 -21.5718 -20.3503 -20.3501 -15.0798 -15.0774
-13.6138 -13.6068 -12.0492 -12.0404 -7.8092 -7.7969 -4.4720 -4.4409
-3.0999 -2.9955 -2.3758 -2.3403 -2.0297 -1.8089 -1.3981 -1.2490
-1.0992 -1.0545 -0.9388 -0.6009 -0.3512 -0.2334 -0.1660 0.0898
0.1923 0.3903 0.5215 0.6677 1.0999 1.2026 1.5104 1.5490
1.8303 1.8854 2.2087 2.2577 2.4366 2.5169 2.8651 2.9285
3.1011 3.1343 3.4589 3.5056 3.8076 3.8561 4.2878 4.2928
4.7361 4.7549 6.3468 6.3723 8.9763 9.1142 10.4685 10.7434
11.2337 11.4295 12.3687 12.5265 12.8163 12.8554
k = 0.1892-0.0929-0.0130 ( 4274 PWs) bands (ev):
-22.4867 -22.4864 -21.5720 -21.5717 -20.3500 -20.3498 -15.0819 -15.0796
-13.6045 -13.5976 -12.0508 -12.0422 -7.8207 -7.8088 -4.4750 -4.4454
-3.0707 -2.9652 -2.3762 -2.3402 -2.0310 -1.8064 -1.3952 -1.2556
-1.1174 -1.0462 -0.9347 -0.6084 -0.3591 -0.2398 -0.1854 0.0589
0.1783 0.3739 0.5113 0.6556 1.1181 1.2224 1.5115 1.5522
1.8399 1.8919 2.1990 2.2499 2.4492 2.5252 2.8816 2.9433
3.1107 3.1422 3.4704 3.5174 3.8080 3.8525 4.2867 4.2905
4.7416 4.7595 6.3066 6.3308 9.0182 9.1561 10.4555 10.7292
11.2082 11.3997 12.3813 12.5378 12.8223 12.8825
k = 0.1757-0.0862-0.0121 ( 4276 PWs) bands (ev):
-22.4875 -22.4872 -21.5720 -21.5716 -20.3498 -20.3496 -15.0839 -15.0817
-13.5954 -13.5888 -12.0523 -12.0440 -7.8318 -7.8204 -4.4777 -4.4498
-3.0417 -2.9356 -2.3764 -2.3401 -2.0315 -1.8045 -1.3918 -1.2625
-1.1370 -1.0362 -0.9313 -0.6193 -0.3686 -0.2465 -0.1998 0.0285
0.1664 0.3566 0.5043 0.6441 1.1365 1.2420 1.5096 1.5530
1.8518 1.9006 2.1875 2.2392 2.4633 2.5335 2.8984 2.9588
3.1191 3.1490 3.4813 3.5284 3.8081 3.8486 4.2866 4.2900
4.7467 4.7637 6.2674 6.2903 9.0602 9.1974 10.4415 10.7112
11.1861 11.3713 12.3860 12.5393 12.8390 12.9192
k = 0.1622-0.0796-0.0111 ( 4272 PWs) bands (ev):
-22.4881 -22.4878 -21.5719 -21.5715 -20.3496 -20.3494 -15.0858 -15.0837
-13.5867 -13.5803 -12.0538 -12.0458 -7.8423 -7.8315 -4.4802 -4.4541
-3.0129 -2.9071 -2.3763 -2.3401 -2.0310 -1.8033 -1.3882 -1.2697
-1.1561 -1.0262 -0.9288 -0.6340 -0.3788 -0.2526 -0.2102 -0.0006
0.1561 0.3387 0.4998 0.6332 1.1549 1.2613 1.5053 1.5518
1.8656 1.9112 2.1748 2.2266 2.4779 2.5416 2.9152 2.9750
3.1261 3.1546 3.4918 3.5384 3.8080 3.8445 4.2875 4.2912
4.7514 4.7673 6.2297 6.2511 9.1022 9.2379 10.4268 10.6895
11.1676 11.3442 12.3849 12.5321 12.8673 12.9609
k = 0.1486-0.0730-0.0102 ( 4272 PWs) bands (ev):
-22.4888 -22.4885 -21.5718 -21.5715 -20.3494 -20.3492 -15.0875 -15.0856
-13.5783 -13.5723 -12.0552 -12.0476 -7.8523 -7.8421 -4.4824 -4.4582
-2.9846 -2.8800 -2.3758 -2.3401 -2.0293 -1.8030 -1.3846 -1.2771
-1.1739 -1.0167 -0.9272 -0.6524 -0.3884 -0.2579 -0.2177 -0.0279
0.1473 0.3203 0.4976 0.6228 1.1733 1.2802 1.4992 1.5490
1.8805 1.9231 2.1615 2.2129 2.4922 2.5492 2.9321 2.9917
3.1318 3.1591 3.5017 3.5473 3.8075 3.8403 4.2895 4.2938
4.7558 4.7705 6.1937 6.2136 9.1438 9.2770 10.4115 10.6646
11.1527 11.3187 12.3800 12.5186 12.9046 13.0052
k = 0.1351-0.0663-0.0093 ( 4269 PWs) bands (ev):
-22.4893 -22.4890 -21.5717 -21.5714 -20.3492 -20.3490 -15.0891 -15.0874
-13.5705 -13.5648 -12.0564 -12.0493 -7.8615 -7.8520 -4.4843 -4.4621
-2.9569 -2.8547 -2.3750 -2.3401 -2.0264 -1.8039 -1.3813 -1.2848
-1.1894 -1.0083 -0.9264 -0.6738 -0.3962 -0.2632 -0.2227 -0.0530
0.1398 0.3018 0.4972 0.6131 1.1915 1.2983 1.4918 1.5449
1.8961 1.9358 2.1480 2.1987 2.5057 2.5560 2.9489 3.0085
3.1362 3.1626 3.5110 3.5552 3.8068 3.8360 4.2925 4.2974
4.7597 4.7732 6.1596 6.1780 9.1848 9.3146 10.3960 10.6368
11.1409 11.2947 12.3731 12.5014 12.9474 13.0502
k = 0.1216-0.0597-0.0084 ( 4268 PWs) bands (ev):
-22.4898 -22.4896 -21.5716 -21.5714 -20.3490 -20.3488 -15.0906 -15.0890
-13.5631 -13.5579 -12.0575 -12.0510 -7.8700 -7.8613 -4.4859 -4.4658
-2.9301 -2.8316 -2.3737 -2.3403 -2.0220 -1.8062 -1.3786 -1.2927
-1.2016 -1.0021 -0.9260 -0.6972 -0.4017 -0.2694 -0.2253 -0.0755
0.1336 0.2835 0.4983 0.6039 1.2094 1.3156 1.4835 1.5399
1.9118 1.9488 2.1347 2.1844 2.5182 2.5621 2.9654 3.0250
3.1391 3.1651 3.5197 3.5619 3.8059 3.8318 4.2965 4.3017
4.7631 4.7753 6.1278 6.1445 9.2249 9.3500 10.3809 10.6070
11.1321 11.2722 12.3656 12.4825 12.9932 13.0944
k = 0.1081-0.0531-0.0074 ( 4268 PWs) bands (ev):
-22.4903 -22.4901 -21.5716 -21.5713 -20.3488 -20.3487 -15.0920 -15.0905
-13.5564 -13.5516 -12.0586 -12.0526 -7.8778 -7.8699 -4.4873 -4.4692
-2.9044 -2.8111 -2.3721 -2.3406 -2.0160 -1.8102 -1.3768 -1.3010
-1.2097 -0.9993 -0.9250 -0.7213 -0.4048 -0.2773 -0.2256 -0.0954
0.1288 0.2654 0.5005 0.5952 1.2269 1.3317 1.4750 1.5344
1.9271 1.9618 2.1220 2.1703 2.5294 2.5673 2.9816 3.0410
3.1408 3.1668 3.5279 3.5675 3.8051 3.8277 4.3012 4.3064
4.7662 4.7771 6.0985 6.1136 9.2638 9.3828 10.3667 10.5759
11.1257 11.2513 12.3583 12.4632 13.0398 13.1366
k = 0.0946-0.0464-0.0065 ( 4265 PWs) bands (ev):
-22.4908 -22.4906 -21.5715 -21.5713 -20.3487 -20.3485 -15.0932 -15.0918
-13.5502 -13.5459 -12.0594 -12.0540 -7.8846 -7.8776 -4.4883 -4.4724
-2.8800 -2.7934 -2.3701 -2.3410 -2.0083 -1.8160 -1.3760 -1.3097
-1.2130 -1.0013 -0.9224 -0.7449 -0.4056 -0.2868 -0.2239 -0.1126
0.1254 0.2477 0.5035 0.5870 1.2440 1.3461 1.4667 1.5284
1.9417 1.9743 2.1101 2.1566 2.5393 2.5715 2.9973 3.0559
3.1414 3.1678 3.5354 3.5718 3.8042 3.8238 4.3064 4.3114
4.7688 4.7784 6.0720 6.0854 9.3012 9.4123 10.3539 10.5441
11.1215 11.2320 12.3518 12.4443 13.0856 13.1757
k = 0.0811-0.0398-0.0056 ( 4259 PWs) bands (ev):
-22.4911 -22.4910 -21.5714 -21.5712 -20.3485 -20.3484 -15.0942 -15.0930
-13.5447 -13.5410 -12.0601 -12.0554 -7.8906 -7.8845 -4.4891 -4.4754
-2.8571 -2.7789 -2.3677 -2.3416 -1.9988 -1.8240 -1.3759 -1.3187
-1.2113 -1.0090 -0.9174 -0.7669 -0.4045 -0.2977 -0.2207 -0.1275
0.1237 0.2307 0.5073 0.5792 1.2605 1.3583 1.4595 1.5220
1.9552 1.9860 2.0994 2.1437 2.5480 2.5749 3.0123 3.0692
3.1414 3.1681 3.5424 3.5750 3.8035 3.8201 4.3117 4.3163
4.7711 4.7793 6.0486 6.0602 9.3367 9.4380 10.3433 10.5123
11.1193 11.2142 12.3465 12.4264 13.1294 13.2108
k = 0.0676-0.0332-0.0046 ( 4262 PWs) bands (ev):
-22.4916 -22.4914 -21.5714 -21.5712 -20.3484 -20.3483 -15.0950 -15.0941
-13.5400 -13.5368 -12.0607 -12.0567 -7.8956 -7.8905 -4.4896 -4.4781
-2.8359 -2.7678 -2.3650 -2.3424 -1.9875 -1.8340 -1.3761 -1.3278
-1.2050 -1.0220 -0.9104 -0.7867 -0.4016 -0.3094 -0.2164 -0.1403
0.1237 0.2145 0.5117 0.5718 1.2765 1.3670 1.4545 1.5153
1.9675 1.9963 2.0904 2.1315 2.5555 2.5775 3.0266 3.0801
3.1411 3.1677 3.5488 3.5770 3.8031 3.8168 4.3169 4.3209
4.7731 4.7798 6.0285 6.0382 9.3698 9.4592 10.3356 10.4812
11.1188 11.1980 12.3428 12.4097 13.1700 13.2409
k = 0.0541-0.0265-0.0037 ( 4260 PWs) bands (ev):
-22.4918 -22.4917 -21.5713 -21.5712 -20.3483 -20.3482 -15.0957 -15.0949
-13.5360 -13.5334 -12.0610 -12.0578 -7.8997 -7.8956 -4.4897 -4.4805
-2.8168 -2.7601 -2.3622 -2.3435 -1.9744 -1.8462 -1.3761 -1.3366
-1.1946 -1.0391 -0.9017 -0.8044 -0.3971 -0.3215 -0.2113 -0.1514
0.1254 0.1992 0.5165 0.5646 1.2918 1.3710 1.4530 1.5082
1.9785 2.0046 2.0835 2.1203 2.5619 2.5791 3.0400 3.0879
3.1416 3.1667 3.5547 3.5780 3.8028 3.8137 4.3216 4.3250
4.7747 4.7801 6.0119 6.0197 9.4000 9.4753 10.3315 10.4515
11.1199 11.1832 12.3408 12.3946 13.2064 13.2652
k = 0.0405-0.0199-0.0028 ( 4261 PWs) bands (ev):
-22.4920 -22.4919 -21.5713 -21.5712 -20.3482 -20.3482 -15.0962 -15.0957
-13.5327 -13.5308 -12.0612 -12.0588 -7.9028 -7.8997 -4.4896 -4.4827
-2.7998 -2.7560 -2.3592 -2.3449 -1.9597 -1.8602 -1.3752 -1.3450
-1.1808 -1.0591 -0.8921 -0.8202 -0.3913 -0.3335 -0.2056 -0.1613
0.1288 0.1849 0.5217 0.5578 1.3064 1.3700 1.4554 1.5008
1.9880 2.0103 2.0794 2.1100 2.5672 2.5799 3.0523 3.0917
3.1434 3.1649 3.5599 3.5778 3.8029 3.8111 4.3257 4.3283
4.7760 4.7801 5.9990 6.0049 9.4269 9.4857 10.3314 10.4237
11.1225 11.1700 12.3407 12.3812 13.2376 13.2830
k = 0.0270-0.0133-0.0019 ( 4263 PWs) bands (ev):
-22.4922 -22.4922 -21.5713 -21.5712 -20.3482 -20.3481 -15.0966 -15.0962
-13.5303 -13.5290 -12.0613 -12.0596 -7.9049 -7.9028 -4.4892 -4.4846
-2.7852 -2.7554 -2.3563 -2.3466 -1.9438 -1.8757 -1.3732 -1.3527
-1.1641 -1.0807 -0.8817 -0.8343 -0.3842 -0.3452 -0.1994 -0.1701
0.1341 0.1718 0.5271 0.5512 1.3203 1.3645 1.4609 1.4930
1.9963 2.0127 2.0786 2.1008 2.5715 2.5799 3.0634 3.0914
3.1467 3.1624 3.5646 3.5768 3.8034 3.8088 4.3289 4.3306
4.7772 4.7798 5.9899 5.9939 9.4497 9.4903 10.3359 10.3986
11.1266 11.1583 12.3425 12.3696 13.2629 13.2938
k = 0.0135-0.0066-0.0009 ( 4265 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3482 -20.3481 -15.0968 -15.0966
-13.5287 -13.5281 -12.0611 -12.0603 -7.9059 -7.9048 -4.4885 -4.4862
-2.7733 -2.7582 -2.3535 -2.3486 -1.9269 -1.8924 -1.3700 -1.3596
-1.1452 -1.1028 -0.8708 -0.8473 -0.3759 -0.3563 -0.1928 -0.1782
0.1411 0.1601 0.5328 0.5449 1.3333 1.3559 1.4684 1.4849
2.0031 2.0119 2.0810 2.0927 2.5749 2.5791 3.0732 3.0877
3.1509 3.1592 3.5687 3.5748 3.8042 3.8069 4.3310 4.3319
4.7781 4.7794 5.9849 5.9868 9.4680 9.4887 10.3450 10.3768
11.1323 11.1481 12.3463 12.3599 13.2816 13.2972
k = 0.0000 0.0000 0.0000 ( 4265 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3481 -20.3481 -15.0967 -15.0967
-13.5280 -13.5280 -12.0608 -12.0608 -7.9059 -7.9059 -4.4875 -4.4875
-2.7642 -2.7642 -2.3510 -2.3510 -1.9096 -1.9096 -1.3654 -1.3654
-1.1245 -1.1245 -0.8594 -0.8594 -0.3666 -0.3666 -0.1857 -0.1857
0.1498 0.1498 0.5388 0.5388 1.3453 1.3453 1.4766 1.4766
2.0085 2.0085 2.0860 2.0860 2.5774 2.5774 3.0814 3.0814
3.1552 3.1552 3.5721 3.5721 3.8053 3.8053 4.3321 4.3321
4.7788 4.7788 5.9838 5.9838 9.4812 9.4812 10.3587 10.3587
11.1394 11.1394 12.3521 12.3521 13.2931 13.2931
k = 0.0000 0.0000 0.0000 ( 4265 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3481 -20.3481 -15.0967 -15.0967
-13.5280 -13.5280 -12.0608 -12.0608 -7.9059 -7.9059 -4.4875 -4.4875
-2.7642 -2.7642 -2.3510 -2.3510 -1.9096 -1.9096 -1.3654 -1.3654
-1.1245 -1.1245 -0.8594 -0.8594 -0.3666 -0.3666 -0.1857 -0.1857
0.1498 0.1498 0.5388 0.5388 1.3453 1.3453 1.4766 1.4766
2.0085 2.0085 2.0860 2.0860 2.5774 2.5774 3.0814 3.0814
3.1552 3.1552 3.5721 3.5721 3.8053 3.8053 4.3321 4.3321
4.7788 4.7788 5.9838 5.9838 9.4812 9.4812 10.3587 10.3587
11.1394 11.1394 12.3521 12.3521 13.2931 13.2931
k = 0.0000 0.0140-0.0054 ( 4264 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3482 -20.3481 -15.0967 -15.0966
-13.5287 -13.5280 -12.0611 -12.0602 -7.9058 -7.9049 -4.4886 -4.4861
-2.7741 -2.7575 -2.3512 -2.3505 -1.9274 -1.8920 -1.3689 -1.3614
-1.1421 -1.1073 -0.8657 -0.8499 -0.3839 -0.3477 -0.1920 -0.1790
0.1450 0.1559 0.5376 0.5399 1.3355 1.3539 1.4675 1.4846
2.0039 2.0126 2.0829 2.0902 2.5756 2.5769 3.0758 3.0861
3.1529 3.1573 3.5668 3.5740 3.8038 3.8076 4.3307 4.3327
4.7785 4.7796 5.9857 5.9872 9.4686 9.4878 10.3509 10.3711
11.1375 11.1451 12.3455 12.3582 13.2754 13.3085
k = 0.0000 0.0280-0.0108 ( 4268 PWs) bands (ev):
-22.4923 -22.4922 -21.5713 -21.5713 -20.3483 -20.3482 -15.0966 -15.0963
-13.5301 -13.5288 -12.0613 -12.0595 -7.9046 -7.9029 -4.4894 -4.4844
-2.7871 -2.7542 -2.3512 -2.3499 -1.9449 -1.8752 -1.3720 -1.3567
-1.1594 -1.0910 -0.8692 -0.8372 -0.3996 -0.3276 -0.1981 -0.1721
0.1415 0.1631 0.5365 0.5410 1.3249 1.3612 1.4577 1.4915
1.9991 2.0158 2.0814 2.0954 2.5716 2.5741 3.0689 3.0898
3.1501 3.1591 3.5584 3.5725 3.8030 3.8105 4.3285 4.3327
4.7787 4.7807 5.9927 5.9957 9.4506 9.4881 10.3480 10.3876
11.1392 11.1545 12.3385 12.3638 13.2554 13.3213
k = 0.0000 0.0420-0.0162 ( 4269 PWs) bands (ev):
-22.4921 -22.4921 -21.5713 -21.5713 -20.3485 -20.3484 -15.0963 -15.0958
-13.5322 -13.5302 -12.0611 -12.0585 -7.9024 -7.8998 -4.4898 -4.4823
-2.8028 -2.7546 -2.3511 -2.3492 -1.9615 -1.8595 -1.3749 -1.3511
-1.1760 -1.0762 -0.8701 -0.8213 -0.4135 -0.3063 -0.2037 -0.1647
0.1394 0.1715 0.5355 0.5421 1.3134 1.3667 1.4475 1.4971
1.9942 2.0176 2.0818 2.1013 2.5653 2.5691 3.0609 3.0926
3.1465 3.1611 3.5474 3.5676 3.8029 3.8139 4.3257 4.3320
4.7792 4.7822 6.0047 6.0092 9.4278 9.4821 10.3503 10.4077
11.1447 11.1673 12.3310 12.3690 13.2335 13.3313
k = 0.0000 0.0560-0.0216 ( 4269 PWs) bands (ev):
-22.4919 -22.4919 -21.5713 -21.5713 -20.3487 -20.3486 -15.0958 -15.0952
-13.5350 -13.5324 -12.0608 -12.0573 -7.8991 -7.8957 -4.4900 -4.4799
-2.8210 -2.7587 -2.3507 -2.3482 -1.9768 -1.8455 -1.3776 -1.3445
-1.1916 -1.0632 -0.8688 -0.8021 -0.4254 -0.2844 -0.2088 -0.1569
0.1388 0.1809 0.5345 0.5432 1.3014 1.3698 1.4377 1.5014
1.9892 2.0176 2.0846 2.1080 2.5570 2.5619 3.0514 3.0945
3.1419 3.1631 3.5341 3.5596 3.8035 3.8180 4.3223 4.3306
4.7800 4.7840 6.0216 6.0274 9.4006 9.4698 10.3576 10.4310
11.1536 11.1835 12.3231 12.3739 13.2096 13.3385
k = 0.0000 0.0700-0.0271 ( 4261 PWs) bands (ev):
-22.4916 -22.4915 -21.5712 -21.5712 -20.3489 -20.3487 -15.0951 -15.0944
-13.5385 -13.5353 -12.0603 -12.0560 -7.8947 -7.8906 -4.4898 -4.4773
-2.8416 -2.7667 -2.3500 -2.3468 -1.9903 -1.8334 -1.3802 -1.3367
-1.2059 -1.0521 -0.8656 -0.7803 -0.4352 -0.2626 -0.2129 -0.1482
0.1398 0.1913 0.5338 0.5444 1.2890 1.3698 1.4291 1.5043
1.9840 2.0157 2.0897 2.1152 2.5465 2.5527 3.0405 3.0953
3.1362 3.1654 3.5193 3.5490 3.8046 3.8224 4.3182 4.3287
4.7812 4.7860 6.0430 6.0501 9.3698 9.4516 10.3698 10.4569
11.1657 11.2027 12.3149 12.3786 13.1842 13.3426
k = 0.0000 0.0840-0.0325 ( 4266 PWs) bands (ev):
-22.4913 -22.4913 -21.5713 -21.5712 -20.3492 -20.3490 -15.0944 -15.0935
-13.5426 -13.5388 -12.0595 -12.0545 -7.8894 -7.8845 -4.4893 -4.4743
-2.8643 -2.7786 -2.3491 -2.3451 -2.0020 -1.8234 -1.3829 -1.3278
-1.2189 -1.0426 -0.8609 -0.7566 -0.4425 -0.2435 -0.2142 -0.1384
0.1424 0.2028 0.5333 0.5457 1.2762 1.3659 1.4225 1.5059
1.9785 2.0121 2.0967 2.1229 2.5342 2.5415 3.0281 3.0948
3.1292 3.1677 3.5037 3.5363 3.8062 3.8274 4.3137 4.3263
4.7825 4.7881 6.0685 6.0769 9.3359 9.4280 10.3866 10.4851
11.1809 11.2246 12.3064 12.3832 13.1572 13.3435
k = 0.0000 0.0980-0.0379 ( 4269 PWs) bands (ev):
-22.4910 -22.4909 -21.5713 -21.5712 -20.3496 -20.3494 -15.0934 -15.0924
-13.5473 -13.5429 -12.0586 -12.0528 -7.8831 -7.8775 -4.4885 -4.4711
-2.8889 -2.7943 -2.3480 -2.3429 -2.0115 -1.8154 -1.3856 -1.3178
-1.2305 -1.0344 -0.8551 -0.7322 -0.4469 -0.2344 -0.2066 -0.1264
0.1468 0.2153 0.5332 0.5472 1.2633 1.3581 1.4183 1.5063
1.9727 2.0072 2.1052 2.1311 2.5201 2.5285 3.0142 3.0927
3.1210 3.1698 3.4880 3.5221 3.8083 3.8327 4.3089 4.3235
4.7838 4.7903 6.0978 6.1074 9.2994 9.3996 10.4075 10.5153
11.1987 11.2490 12.2977 12.3877 13.1290 13.3411
k = 0.0000 0.1121-0.0433 ( 4271 PWs) bands (ev):
-22.4906 -22.4905 -21.5713 -21.5713 -20.3500 -20.3498 -15.0924 -15.0912
-13.5526 -13.5477 -12.0575 -12.0510 -7.8759 -7.8696 -4.4874 -4.4676
-2.9152 -2.8136 -2.3466 -2.3401 -2.0189 -1.8095 -1.3884 -1.3072
-1.2405 -1.0271 -0.8484 -0.7085 -0.4478 -0.2349 -0.1915 -0.1113
0.1529 0.2288 0.5334 0.5490 1.2502 1.3471 1.4156 1.5055
1.9666 2.0012 2.1145 2.1394 2.5045 2.5139 2.9989 3.0877
3.1127 3.1715 3.4730 3.5071 3.8108 3.8384 4.3037 4.3203
4.7852 4.7923 6.1303 6.1410 9.2609 9.3672 10.4319 10.5473
11.2188 11.2754 12.2890 12.3924 13.0997 13.3353
k = 0.0000 0.1261-0.0487 ( 4274 PWs) bands (ev):
-22.4902 -22.4901 -21.5713 -21.5713 -20.3505 -20.3502 -15.0911 -15.0899
-13.5583 -13.5530 -12.0562 -12.0492 -7.8678 -7.8608 -4.4860 -4.4639
-2.9430 -2.8361 -2.3449 -2.3368 -2.0242 -1.8053 -1.3913 -1.2970
-1.2480 -1.0202 -0.8411 -0.6868 -0.4446 -0.2380 -0.1772 -0.0922
0.1607 0.2435 0.5343 0.5514 1.2371 1.3342 1.4135 1.5037
1.9600 1.9945 2.1242 2.1478 2.4875 2.4980 2.9821 3.0780
3.1057 3.1725 3.4592 3.4920 3.8138 3.8445 4.2983 4.3170
4.7865 4.7942 6.1656 6.1774 9.2206 9.3312 10.4594 10.5808
11.2409 11.3035 12.2803 12.3975 13.0696 13.3262
k = 0.0000 0.1401-0.0541 ( 4280 PWs) bands (ev):
-22.4898 -22.4897 -21.5714 -21.5713 -20.3510 -20.3507 -15.0898 -15.0885
-13.5645 -13.5588 -12.0548 -12.0472 -7.8588 -7.8512 -4.4843 -4.4599
-2.9721 -2.8616 -2.3429 -2.3329 -2.0275 -1.8025 -1.3943 -1.2901
-1.2508 -1.0136 -0.8334 -0.6686 -0.4368 -0.2415 -0.1656 -0.0693
0.1702 0.2594 0.5357 0.5544 1.2241 1.3201 1.4113 1.5008
1.9531 1.9873 2.1338 2.1559 2.4694 2.4811 2.9640 3.0627
3.1009 3.1724 3.4471 3.4774 3.8174 3.8511 4.2929 4.3135
4.7875 4.7958 6.2033 6.2161 9.1790 9.2925 10.4893 10.6155
11.2646 11.3330 12.2719 12.4032 13.0388 13.3138
k = 0.0000 0.1541-0.0595 ( 4283 PWs) bands (ev):
-22.4892 -22.4891 -21.5714 -21.5714 -20.3515 -20.3512 -15.0884 -15.0869
-13.5712 -13.5650 -12.0533 -12.0452 -7.8491 -7.8408 -4.4824 -4.4558
-3.0022 -2.8896 -2.3405 -2.3286 -2.0290 -1.8010 -1.3975 -1.2898
-1.2457 -1.0069 -0.8253 -0.6546 -0.4246 -0.2450 -0.1564 -0.0436
0.1812 0.2765 0.5379 0.5585 1.2112 1.3054 1.4085 1.4971
1.9459 1.9797 2.1429 2.1637 2.4506 2.4634 2.9445 3.0428
3.0974 3.1710 3.4370 3.4638 3.8217 3.8579 4.2875 4.3100
4.7883 4.7970 6.2427 6.2566 9.1365 9.2516 10.5214 10.6514
11.2895 11.3636 12.2637 12.4095 13.0077 13.2984
k = 0.0000 0.1681-0.0649 ( 4284 PWs) bands (ev):
-22.4887 -22.4886 -21.5714 -21.5714 -20.3521 -20.3517 -15.0868 -15.0853
-13.5781 -13.5717 -12.0517 -12.0432 -7.8386 -7.8298 -4.4801 -4.4514
-3.0332 -2.9197 -2.3376 -2.3238 -2.0289 -1.8004 -1.4009 -1.2949
-1.2344 -1.0002 -0.8171 -0.6449 -0.4089 -0.2484 -0.1485 -0.0162
0.1937 0.2949 0.5408 0.5639 1.1985 1.2904 1.4050 1.4925
1.9384 1.9719 2.1509 2.1706 2.4312 2.4452 2.9238 3.0192
3.0945 3.1683 3.4290 3.4518 3.8265 3.8652 4.2822 4.3066
4.7887 4.7978 6.2835 6.2983 9.0934 9.2090 10.5551 10.6881
11.3154 11.3949 12.2560 12.4167 12.9765 13.2801
k = 0.0000 0.1821-0.0704 ( 4288 PWs) bands (ev):
-22.4881 -22.4880 -21.5714 -21.5714 -20.3527 -20.3523 -15.0852 -15.0835
-13.5854 -13.5787 -12.0500 -12.0411 -7.8274 -7.8182 -4.4776 -4.4468
-3.0648 -2.9515 -2.3344 -2.3187 -2.0273 -1.8004 -1.4044 -1.3024
-1.2203 -0.9933 -0.8088 -0.6389 -0.3913 -0.2516 -0.1412 0.0119
0.2074 0.3147 0.5447 0.5710 1.1860 1.2753 1.4006 1.4871
1.9307 1.9642 2.1575 2.1764 2.4116 2.4270 2.9018 2.9926
3.0923 3.1642 3.4228 3.4417 3.8321 3.8729 4.2772 4.3033
4.7887 4.7982 6.3252 6.3409 9.0500 9.1652 10.5901 10.7255
11.3417 11.4267 12.2488 12.4250 12.9454 13.2595
k = 0.0000 0.1961-0.0758 ( 4290 PWs) bands (ev):
-22.4875 -22.4874 -21.5715 -21.5714 -20.3533 -20.3529 -15.0834 -15.0817
-13.5929 -13.5860 -12.0482 -12.0391 -7.8157 -7.8061 -4.4748 -4.4421
-3.0969 -2.9846 -2.3308 -2.3132 -2.0245 -1.8008 -1.4081 -1.3107
-1.2049 -0.9862 -0.8004 -0.6358 -0.3738 -0.2544 -0.1334 0.0401
0.2222 0.3359 0.5497 0.5801 1.1738 1.2602 1.3952 1.4808
1.9230 1.9566 2.1622 2.1808 2.3921 2.4091 2.8786 2.9635
3.0905 3.1591 3.4183 3.4335 3.8384 3.8809 4.2725 4.3003
4.7882 4.7980 6.3673 6.3840 9.0067 9.1206 10.6259 10.7633
11.3683 11.4586 12.2424 12.4345 12.9147 13.2369
k = 0.0000 0.2101-0.0812 ( 4291 PWs) bands (ev):
-22.4868 -22.4868 -21.5715 -21.5714 -20.3539 -20.3535 -15.0816 -15.0798
-13.6005 -13.5935 -12.0464 -12.0371 -7.8035 -7.7935 -4.4718 -4.4372
-3.1292 -3.0186 -2.3269 -2.3074 -2.0204 -1.8014 -1.4120 -1.3196
-1.1890 -0.9790 -0.7919 -0.6347 -0.3581 -0.2568 -0.1245 0.0676
0.2380 0.3581 0.5560 0.5916 1.1618 1.2453 1.3887 1.4736
1.9154 1.9493 2.1648 2.1833 2.3729 2.3919 2.8544 2.9326
3.0894 3.1534 3.4151 3.4272 3.8454 3.8891 4.2682 4.2974
4.7873 4.7973 6.4095 6.4270 8.9636 9.0757 10.6624 10.8013
11.3950 11.4906 12.2368 12.4453 12.8847 13.2128
k = 0.0000 0.2241-0.0866 ( 4295 PWs) bands (ev):
-22.4862 -22.4861 -21.5715 -21.5714 -20.3545 -20.3542 -15.0797 -15.0779
-13.6083 -13.6012 -12.0446 -12.0351 -7.7908 -7.7805 -4.4686 -4.4324
-3.1616 -3.0532 -2.3226 -2.3014 -2.0154 -1.8021 -1.4161 -1.3287
-1.1730 -0.9718 -0.7835 -0.6350 -0.3457 -0.2590 -0.1138 0.0939
0.2550 0.3811 0.5639 0.6057 1.1502 1.2305 1.3812 1.4652
1.9082 1.9426 2.1652 2.1837 2.3542 2.3756 2.8292 2.9002
3.0891 3.1475 3.4127 3.4228 3.8530 3.8976 4.2645 4.2950
4.7858 4.7961 6.4512 6.4695 8.9212 9.0308 10.6990 10.8391
11.4215 11.5223 12.2320 12.4575 12.8558 13.1877
k = 0.0000 0.2381-0.0920 ( 4295 PWs) bands (ev):
-22.4856 -22.4855 -21.5715 -21.5715 -20.3552 -20.3548 -15.0778 -15.0760
-13.6162 -13.6090 -12.0427 -12.0333 -7.7778 -7.7673 -4.4651 -4.4274
-3.1937 -3.0880 -2.3179 -2.2953 -2.0095 -1.8026 -1.4204 -1.3380
-1.1570 -0.9645 -0.7751 -0.6361 -0.3374 -0.2612 -0.1010 0.1183
0.2733 0.4044 0.5738 0.6226 1.1388 1.2158 1.3726 1.4556
1.9015 1.9364 2.1633 2.1818 2.3361 2.3605 2.8032 2.8670
3.0896 3.1420 3.4107 3.4201 3.8613 3.9063 4.2613 4.2928
4.7838 4.7943 6.4923 6.5112 8.8795 8.9862 10.7357 10.8766
11.4476 11.5536 12.2281 12.4709 12.8283 13.1624
k = 0.0000 0.2521-0.0974 ( 4290 PWs) bands (ev):
-22.4848 -22.4847 -21.5715 -21.5714 -20.3558 -20.3554 -15.0759 -15.0740
-13.6240 -13.6168 -12.0409 -12.0315 -7.7645 -7.7539 -4.4614 -4.4224
-3.2255 -3.1229 -2.3130 -2.2891 -2.0028 -1.8031 -1.4249 -1.3475
-1.1412 -0.9574 -0.7668 -0.6376 -0.3330 -0.2639 -0.0861 0.1403
0.2933 0.4273 0.5862 0.6424 1.1277 1.2013 1.3630 1.4447
1.8955 1.9310 2.1592 2.1776 2.3187 2.3464 2.7767 2.8334
3.0909 3.1372 3.4090 3.4187 3.8700 3.9151 4.2587 4.2911
4.7814 4.7920 6.5323 6.5518 8.8390 8.9422 10.7721 10.9133
11.4732 11.5844 12.2252 12.4853 12.8027 13.1372
k = 0.0000 0.2661-0.1028 ( 4292 PWs) bands (ev):
-22.4842 -22.4841 -21.5715 -21.5714 -20.3564 -20.3561 -15.0739 -15.0720
-13.6318 -13.6247 -12.0391 -12.0298 -7.7511 -7.7405 -4.4575 -4.4175
-3.2567 -3.1574 -2.3079 -2.2830 -1.9954 -1.8034 -1.4296 -1.3571
-1.1257 -0.9505 -0.7586 -0.6394 -0.3321 -0.2674 -0.0695 0.1594
0.3152 0.4492 0.6016 0.6650 1.1168 1.1868 1.3524 1.4322
1.8903 1.9263 2.1531 2.1715 2.3017 2.3331 2.7498 2.7998
3.0931 3.1335 3.4075 3.4183 3.8792 3.9238 4.2568 4.2898
4.7785 4.7892 6.5710 6.5909 8.7997 8.8991 10.8080 10.9489
11.4983 11.6147 12.2230 12.5004 12.7795 13.1128
k = 0.0000 0.2801-0.1082 ( 4291 PWs) bands (ev):
-22.4836 -22.4835 -21.5715 -21.5714 -20.3571 -20.3567 -15.0719 -15.0701
-13.6394 -13.6324 -12.0373 -12.0282 -7.7377 -7.7271 -4.4534 -4.4126
-3.2872 -3.1915 -2.3026 -2.2769 -1.9873 -1.8034 -1.4345 -1.3667
-1.1105 -0.9439 -0.7505 -0.6412 -0.3338 -0.2722 -0.0516 0.1755
0.3390 0.4695 0.6203 0.6902 1.1061 1.1723 1.3410 1.4182
1.8862 1.9224 2.1456 2.1640 2.2851 2.3202 2.7229 2.7665
3.0961 3.1312 3.4062 3.4186 3.8885 3.9323 4.2557 4.2889
4.7751 4.7859 6.6080 6.6283 8.7619 8.8572 10.8432 10.9830
11.5229 11.6444 12.2216 12.5154 12.7594 13.0898
k = 0.0000 0.2941-0.1136 ( 4291 PWs) bands (ev):
-22.4829 -22.4828 -21.5715 -21.5714 -20.3577 -20.3573 -15.0699 -15.0681
-13.6469 -13.6401 -12.0356 -12.0267 -7.7243 -7.7138 -4.4492 -4.4078
-3.3167 -3.2248 -2.2971 -2.2710 -1.9786 -1.8033 -1.4396 -1.3764
-1.0957 -0.9377 -0.7425 -0.6429 -0.3373 -0.2783 -0.0331 0.1885
0.3645 0.4880 0.6424 0.7178 1.0955 1.1578 1.3288 1.4027
1.8830 1.9192 2.1371 2.1557 2.2687 2.3074 2.6960 2.7338
3.1000 3.1302 3.4052 3.4192 3.8980 3.9406 4.2553 4.2885
4.7714 4.7822 6.6433 6.6638 8.7258 8.8166 10.8774 11.0155
11.5470 11.6734 12.2207 12.5292 12.7437 13.0688
k = 0.0000 0.3081-0.1191 ( 4292 PWs) bands (ev):
-22.4822 -22.4822 -21.5715 -21.5714 -20.3583 -20.3580 -15.0680 -15.0662
-13.6541 -13.6475 -12.0339 -12.0253 -7.7110 -7.7008 -4.4448 -4.4033
-3.3450 -3.2572 -2.2916 -2.2653 -1.9695 -1.8030 -1.4447 -1.3860
-1.0814 -0.9321 -0.7347 -0.6443 -0.3423 -0.2857 -0.0144 0.1989
0.3913 0.5048 0.6674 0.7473 1.0848 1.1432 1.3159 1.3856
1.8807 1.9166 2.1282 2.1472 2.2524 2.2942 2.6694 2.7021
3.1045 3.1306 3.4044 3.4200 3.9075 3.9485 4.2557 4.2884
4.7674 4.7781 6.6766 6.6970 8.6916 8.7776 10.9105 11.0459
11.5707 11.7019 12.2202 12.5402 12.7337 13.0503
k = 0.0000 0.3221-0.1245 ( 4292 PWs) bands (ev):
-22.4817 -22.4816 -21.5715 -21.5715 -20.3589 -20.3586 -15.0661 -15.0644
-13.6611 -13.6548 -12.0323 -12.0241 -7.6981 -7.6881 -4.4403 -4.3989
-3.3720 -3.2885 -2.2861 -2.2600 -1.9598 -1.8026 -1.4499 -1.3956
-1.0675 -0.9270 -0.7271 -0.6454 -0.3482 -0.2941 0.0043 0.2070
0.4189 0.5204 0.6950 0.7781 1.0739 1.1287 1.3027 1.3673
1.8792 1.9143 2.1194 2.1391 2.2361 2.2804 2.6432 2.6714
3.1096 3.1322 3.4040 3.4209 3.9168 3.9558 4.2568 4.2888
4.7630 4.7736 6.7078 6.7279 8.6594 8.7404 10.9424 11.0739
11.5941 11.7297 12.2199 12.5465 12.7313 13.0349
k = 0.0000 0.3362-0.1299 ( 4290 PWs) bands (ev):
-22.4811 -22.4810 -21.5715 -21.5714 -20.3595 -20.3591 -15.0642 -15.0626
-13.6677 -13.6617 -12.0308 -12.0229 -7.6855 -7.6758 -4.4357 -4.3949
-3.3975 -3.3186 -2.2805 -2.2549 -1.9498 -1.8021 -1.4551 -1.4050
-1.0542 -0.9227 -0.7196 -0.6461 -0.3548 -0.3033 0.0227 0.2133
0.4469 0.5351 0.7244 0.8096 1.0626 1.1141 1.2892 1.3481
1.8782 1.9120 2.1113 2.1319 2.2199 2.2661 2.6177 2.6421
3.1152 3.1348 3.4038 3.4219 3.9259 3.9627 4.2586 4.2895
4.7586 4.7689 6.7367 6.7564 8.6295 8.7051 10.9728 11.0994
11.6172 11.7567 12.2195 12.5466 12.7372 13.0232
k = 0.0000 0.3502-0.1353 ( 4289 PWs) bands (ev):
-22.4805 -22.4804 -21.5715 -21.5715 -20.3600 -20.3597 -15.0625 -15.0609
-13.6740 -13.6683 -12.0294 -12.0220 -7.6734 -7.6642 -4.4310 -4.3912
-3.4213 -3.3473 -2.2751 -2.2502 -1.9395 -1.8017 -1.4603 -1.4142
-1.0413 -0.9191 -0.7122 -0.6464 -0.3619 -0.3132 0.0407 0.2179
0.4749 0.5496 0.7548 0.8414 1.0506 1.0997 1.2757 1.3282
1.8774 1.9095 2.1042 2.1259 2.2040 2.2513 2.5928 2.6142
3.1210 3.1382 3.4040 3.4229 3.9346 3.9688 4.2610 4.2905
4.7540 4.7641 6.7633 6.7823 8.6018 8.6719 11.0015 11.1221
11.6402 11.7829 12.2192 12.5409 12.7509 13.0155
k = 0.0000 0.3642-0.1407 ( 4291 PWs) bands (ev):
-22.4800 -22.4799 -21.5715 -21.5715 -20.3605 -20.3602 -15.0608 -15.0593
-13.6798 -13.6746 -12.0280 -12.0211 -7.6618 -7.6532 -4.4263 -4.3879
-3.4432 -3.3744 -2.2697 -2.2460 -1.9289 -1.8015 -1.4653 -1.4232
-1.0290 -0.9164 -0.7051 -0.6464 -0.3692 -0.3235 0.0581 0.2212
0.5026 0.5640 0.7856 0.8726 1.0379 1.0856 1.2623 1.3081
1.8765 1.9063 2.0984 2.1214 2.1889 2.2363 2.5688 2.5879
3.1271 3.1421 3.4045 3.4238 3.9427 3.9743 4.2640 4.2917
4.7494 4.7591 6.7875 6.8057 8.5766 8.6409 11.0286 11.1420
11.6631 11.8079 12.2189 12.5303 12.7709 13.0121
k = 0.0000 0.3782-0.1461 ( 4288 PWs) bands (ev):
-22.4795 -22.4794 -21.5715 -21.5715 -20.3610 -20.3607 -15.0592 -15.0578
-13.6852 -13.6804 -12.0267 -12.0204 -7.6510 -7.6429 -4.4215 -4.3850
-3.4631 -3.3998 -2.2646 -2.2423 -1.9182 -1.8014 -1.4700 -1.4319
-1.0173 -0.9145 -0.6981 -0.6460 -0.3764 -0.3340 0.0750 0.2232
0.5296 0.5788 0.8159 0.9028 1.0244 1.0719 1.2493 1.2885
1.8752 1.9024 2.0939 2.1182 2.1752 2.2216 2.5457 2.5631
3.1332 3.1462 3.4054 3.4247 3.9504 3.9790 4.2674 4.2931
4.7449 4.7541 6.8094 6.8264 8.5539 8.6123 11.0539 11.1590
11.6860 11.8313 12.2190 12.5162 12.7952 13.0131
k = 0.0000 0.3922-0.1515 ( 4285 PWs) bands (ev):
-22.4790 -22.4789 -21.5715 -21.5715 -20.3614 -20.3611 -15.0577 -15.0565
-13.6901 -13.6857 -12.0255 -12.0198 -7.6409 -7.6335 -4.4167 -4.3827
-3.4809 -3.4234 -2.2597 -2.2391 -1.9073 -1.8018 -1.4744 -1.4402
-1.0061 -0.9136 -0.6913 -0.6455 -0.3834 -0.3444 0.0912 0.2241
0.5556 0.5942 0.8448 0.9310 1.0105 1.0589 1.2367 1.2700
1.8733 1.8976 2.0904 2.1159 2.1637 2.2077 2.5238 2.5400
3.1392 3.1504 3.4067 3.4254 3.9574 3.9830 4.2712 4.2945
4.7406 4.7492 6.8289 6.8446 8.5338 8.5861 11.0774 11.1731
11.7089 11.8524 12.2200 12.4995 12.8225 13.0184
k = 0.0000 0.4062-0.1569 ( 4283 PWs) bands (ev):
-22.4786 -22.4786 -21.5715 -21.5715 -20.3618 -20.3615 -15.0564 -15.0552
-13.6944 -13.6905 -12.0244 -12.0193 -7.6317 -7.6251 -4.4120 -4.3809
-3.4964 -3.4450 -2.2550 -2.2364 -1.8965 -1.8026 -1.4783 -1.4480
-0.9954 -0.9136 -0.6847 -0.6448 -0.3899 -0.3547 0.1066 0.2239
0.5802 0.6104 0.8709 0.9562 0.9970 1.0471 1.2245 1.2533
1.8708 1.8920 2.0876 2.1137 2.1556 2.1952 2.5033 2.5186
3.1448 3.1544 3.4082 3.4260 3.9638 3.9862 4.2751 4.2959
4.7366 4.7444 6.8461 6.8603 8.5164 8.5624 11.0989 11.1843
11.7317 11.8706 12.2225 12.4809 12.8518 13.0273
k = 0.0000 0.4202-0.1623 ( 4284 PWs) bands (ev):
-22.4783 -22.4782 -21.5715 -21.5715 -20.3621 -20.3619 -15.0552 -15.0542
-13.6982 -13.6948 -12.0234 -12.0190 -7.6235 -7.6177 -4.4074 -4.3797
-3.5095 -3.4646 -2.2506 -2.2342 -1.8858 -1.8041 -1.4817 -1.4554
-0.9854 -0.9145 -0.6783 -0.6441 -0.3958 -0.3646 0.1213 0.2226
0.6027 0.6276 0.8922 0.9753 0.9866 1.0381 1.2131 1.2388
1.8676 1.8858 2.0848 2.1107 2.1515 2.1850 2.4845 2.4989
3.1500 3.1580 3.4101 3.4264 3.9695 3.9887 4.2791 4.2972
4.7330 4.7400 6.8609 6.8735 8.5017 8.5414 11.1185 11.1929
11.7542 11.8849 12.2274 12.4606 12.8823 13.0388
k = 0.0000 0.4342-0.1678 ( 4290 PWs) bands (ev):
-22.4780 -22.4779 -21.5716 -21.5716 -20.3624 -20.3622 -15.0541 -15.0533
-13.7015 -13.6986 -12.0225 -12.0187 -7.6163 -7.6114 -4.4030 -4.3791
-3.5201 -3.4821 -2.2467 -2.2327 -1.8754 -1.8063 -1.4844 -1.4621
-0.9759 -0.9163 -0.6723 -0.6437 -0.4007 -0.3739 0.1353 0.2201
0.6228 0.6453 0.9058 0.9730 0.9936 1.0354 1.2028 1.2266
1.8640 1.8793 2.0820 2.1064 2.1513 2.1775 2.4678 2.4810
3.1546 3.1611 3.4121 3.4266 3.9745 3.9906 4.2830 4.2982
4.7299 4.7359 6.8736 6.8843 8.4897 8.5229 11.1360 11.1988
11.7764 11.8947 12.2353 12.4390 12.9135 13.0514
k = 0.0000 0.4482-0.1732 ( 4294 PWs) bands (ev):
-22.4777 -22.4777 -21.5716 -21.5716 -20.3627 -20.3625 -15.0532 -15.0526
-13.7041 -13.7017 -12.0216 -12.0186 -7.6102 -7.6062 -4.3988 -4.3791
-3.5281 -3.4973 -2.2431 -2.2317 -1.8653 -1.8093 -1.4863 -1.4682
-0.9670 -0.9190 -0.6666 -0.6436 -0.4044 -0.3824 0.1483 0.2165
0.6409 0.6623 0.9102 0.9640 1.0033 1.0402 1.1946 1.2165
1.8605 1.8728 2.0794 2.1010 2.1537 2.1729 2.4536 2.4653
3.1586 3.1637 3.4143 3.4265 3.9789 3.9917 4.2866 4.2990
4.7274 4.7323 6.8840 6.8927 8.4805 8.5071 11.1516 11.2023
11.7980 11.8994 12.2467 12.4164 12.9447 13.0631
k = 0.0000 0.4622-0.1786 ( 4293 PWs) bands (ev):
-22.4775 -22.4775 -21.5716 -21.5716 -20.3628 -20.3627 -15.0525 -15.0520
-13.7060 -13.7043 -12.0209 -12.0186 -7.6053 -7.6023 -4.3948 -4.3797
-3.5335 -3.5101 -2.2399 -2.2312 -1.8556 -1.8133 -1.4873 -1.4736
-0.9588 -0.9225 -0.6613 -0.6440 -0.4068 -0.3900 0.1605 0.2118
0.6570 0.6766 0.9090 0.9525 1.0144 1.0469 1.1891 1.2081
1.8574 1.8668 2.0776 2.0951 2.1573 2.1707 2.4424 2.4519
3.1619 3.1657 3.4166 3.4260 3.9827 3.9923 4.2900 4.2993
4.7254 4.7292 6.8923 6.8990 8.4741 8.4941 11.1651 11.2035
11.8187 11.8990 12.2616 12.3930 12.9754 13.0712
k = 0.0000 0.4762-0.1840 ( 4295 PWs) bands (ev):
-22.4774 -22.4774 -21.5716 -21.5716 -20.3629 -20.3629 -15.0520 -15.0516
-13.7074 -13.7062 -12.0203 -12.0188 -7.6016 -7.5996 -4.3911 -4.3809
-3.5362 -3.5205 -2.2372 -2.2313 -1.8466 -1.8181 -1.4873 -1.4781
-0.9511 -0.9268 -0.6567 -0.6450 -0.4078 -0.3964 0.1716 0.2060
0.6709 0.6866 0.9077 0.9393 1.0264 1.0508 1.1868 1.2011
1.8553 1.8616 2.0770 2.0894 2.1612 2.1697 2.4345 2.4413
3.1644 3.1669 3.4187 3.4252 3.9858 3.9922 4.2929 4.2991
4.7242 4.7268 6.8986 6.9030 8.4704 8.4838 11.1766 11.2023
11.8382 11.8938 12.2795 12.3692 13.0045 13.0729
k = 0.0000 0.4902-0.1894 ( 4296 PWs) bands (ev):
-22.4773 -22.4773 -21.5716 -21.5716 -20.3630 -20.3630 -15.0516 -15.0514
-13.7080 -13.7075 -12.0197 -12.0190 -7.5992 -7.5982 -4.3879 -4.3827
-3.5363 -3.5284 -2.2350 -2.2320 -1.8382 -1.8239 -1.4865 -1.4818
-0.9440 -0.9319 -0.6526 -0.6468 -0.4073 -0.4015 0.1818 0.1990
0.6820 0.6908 0.9096 0.9265 1.0373 1.0504 1.1874 1.1951
1.8545 1.8577 2.0779 2.0843 2.1647 2.1688 2.4304 2.4339
3.1662 3.1674 3.4207 3.4240 3.9883 3.9915 4.2953 4.2984
4.7238 4.7251 6.9028 6.9050 8.4696 8.4763 11.1861 11.1990
11.8560 11.8845 12.2999 12.3454 13.0306 13.0666
k = 0.0000 0.5042-0.1948 ( 4302 PWs) bands (ev):
-22.4773 -22.4773 -21.5716 -21.5716 -20.3630 -20.3630 -15.0514 -15.0514
-13.7081 -13.7081 -12.0193 -12.0193 -7.5980 -7.5980 -4.3851 -4.3851
-3.5336 -3.5336 -2.2333 -2.2333 -1.8306 -1.8306 -1.4846 -1.4846
-0.9376 -0.9376 -0.6493 -0.6493 -0.4051 -0.4051 0.1910 0.1910
0.6891 0.6891 0.9161 0.9161 1.0457 1.0457 1.1904 1.1904
1.8553 1.8553 2.0804 2.0804 2.1672 2.1672 2.4302 2.4302
3.1672 3.1672 3.4225 3.4225 3.9902 3.9902 4.2971 4.2971
4.7240 4.7240 6.9049 6.9049 8.4715 8.4715 11.1936 11.1936
11.8716 11.8716 12.3221 12.3221 13.0520 13.0520
k = 0.5000 0.2588-0.2292 ( 4292 PWs) bands (ev):
-22.4756 -22.4756 -21.5771 -21.5771 -20.3450 -20.3450 -15.0969 -15.0969
-13.5702 -13.5702 -12.1650 -12.1650 -7.8063 -7.8063 -4.5255 -4.5255
-2.6272 -2.6272 -2.3006 -2.3006 -1.8128 -1.8128 -1.3204 -1.3204
-1.0120 -1.0120 -0.8688 -0.8688 -0.3542 -0.3542 -0.0670 -0.0670
0.3728 0.3728 0.7589 0.7589 0.9969 0.9969 1.5266 1.5266
1.6271 1.6271 1.9993 1.9993 2.5640 2.5640 2.8874 2.8874
2.9883 2.9883 3.1574 3.1574 3.8288 3.8288 4.5247 4.5247
4.7939 4.7939 6.8780 6.8780 9.2423 9.2423 10.1438 10.1438
10.9888 10.9888 12.1002 12.1002 13.3742 13.3742
k = 0.4875 0.2524-0.2235 ( 4292 PWs) bands (ev):
-22.4757 -22.4756 -21.5771 -21.5770 -20.3450 -20.3450 -15.0969 -15.0968
-13.5702 -13.5701 -12.1649 -12.1648 -7.8066 -7.8064 -4.5258 -4.5251
-2.6280 -2.6265 -2.3020 -2.2990 -1.8152 -1.8109 -1.3299 -1.3115
-1.0287 -0.9973 -0.8782 -0.8586 -0.3590 -0.3493 -0.0706 -0.0640
0.3689 0.3766 0.7381 0.7790 0.9804 1.0154 1.5264 1.5282
1.6260 1.6293 1.9975 2.0008 2.5598 2.5655 2.8866 2.8896
2.9815 2.9952 3.1548 3.1617 3.8280 3.8294 4.5238 4.5249
4.7927 4.7945 6.8765 6.8773 9.2414 9.2426 10.1410 10.1483
10.9854 10.9963 12.0929 12.1068 13.3589 13.3888
k = 0.4750 0.2459-0.2177 ( 4293 PWs) bands (ev):
-22.4758 -22.4758 -21.5771 -21.5770 -20.3450 -20.3450 -15.0969 -15.0968
-13.5700 -13.5698 -12.1645 -12.1642 -7.8072 -7.8067 -4.5260 -4.5246
-2.6291 -2.6261 -2.3030 -2.2970 -1.8181 -1.8096 -1.3398 -1.3035
-1.0467 -0.9852 -0.8859 -0.8480 -0.3637 -0.3444 -0.0746 -0.0616
0.3650 0.3803 0.7176 0.7972 0.9670 1.0353 1.5274 1.5313
1.6261 1.6328 1.9954 2.0018 2.5530 2.5643 2.8869 2.8933
2.9750 3.0022 3.1539 3.1674 3.8270 3.8298 4.5223 4.5245
4.7910 4.7946 6.8727 6.8744 9.2399 9.2422 10.1399 10.1544
10.9860 11.0078 12.0849 12.1126 13.3429 13.4027
k = 0.4625 0.2394-0.2120 ( 4297 PWs) bands (ev):
-22.4760 -22.4760 -21.5771 -21.5770 -20.3451 -20.3451 -15.0970 -15.0968
-13.5698 -13.5694 -12.1638 -12.1634 -7.8080 -7.8073 -4.5261 -4.5240
-2.6304 -2.6260 -2.3037 -2.2949 -1.8216 -1.8089 -1.3501 -1.2963
-1.0655 -0.9769 -0.8910 -0.8374 -0.3681 -0.3395 -0.0791 -0.0598
0.3611 0.3839 0.6977 0.8118 0.9585 1.0563 1.5293 1.5355
1.6276 1.6378 1.9930 2.0023 2.5440 2.5605 2.8880 2.8986
2.9689 3.0091 3.1551 3.1743 3.8258 3.8299 4.5202 4.5234
4.7889 4.7942 6.8668 6.8693 9.2377 9.2412 10.1405 10.1619
10.9907 11.0232 12.0763 12.1177 13.3261 13.4158
k = 0.4500 0.2330-0.2063 ( 4298 PWs) bands (ev):
-22.4762 -22.4761 -21.5770 -21.5769 -20.3451 -20.3451 -15.0970 -15.0968
-13.5694 -13.5689 -12.1628 -12.1622 -7.8091 -7.8082 -4.5261 -4.5233
-2.6319 -2.6261 -2.3040 -2.2926 -1.8254 -1.8087 -1.3605 -1.2903
-1.0846 -0.9731 -0.8928 -0.8270 -0.3724 -0.3347 -0.0840 -0.0588
0.3572 0.3873 0.6787 0.8204 0.9573 1.0783 1.5316 1.5404
1.6310 1.6448 1.9903 2.0023 2.5330 2.5543 2.8893 2.9054
2.9632 3.0161 3.1583 3.1822 3.8244 3.8299 4.5174 4.5216
4.7864 4.7934 6.8587 6.8620 9.2352 9.2398 10.1425 10.1708
10.9993 11.0425 12.0672 12.1220 13.3087 13.4281
k = 0.4375 0.2265-0.2005 ( 4301 PWs) bands (ev):
-22.4764 -22.4764 -21.5770 -21.5768 -20.3452 -20.3451 -15.0970 -15.0968
-13.5688 -13.5683 -12.1615 -12.1608 -7.8106 -7.8094 -4.5260 -4.5225
-2.6336 -2.6265 -2.3041 -2.2902 -1.8297 -1.8091 -1.3711 -1.2857
-1.1034 -0.9739 -0.8911 -0.8170 -0.3763 -0.3301 -0.0892 -0.0584
0.3530 0.3903 0.6611 0.8214 0.9647 1.1011 1.5338 1.5453
1.6367 1.6539 1.9872 2.0015 2.5205 2.5462 2.8906 2.9135
2.9581 3.0233 3.1636 3.1910 3.8230 3.8295 4.5140 4.5191
4.7836 4.7922 6.8484 6.8525 9.2323 9.2379 10.1460 10.1808
11.0117 11.0656 12.0576 12.1256 13.2905 13.4395
k = 0.4250 0.2200-0.1948 ( 4306 PWs) bands (ev):
-22.4767 -22.4766 -21.5769 -21.5768 -20.3453 -20.3452 -15.0971 -15.0968
-13.5682 -13.5675 -12.1598 -12.1590 -7.8122 -7.8108 -4.5257 -4.5216
-2.6355 -2.6271 -2.3038 -2.2879 -1.8344 -1.8101 -1.3815 -1.2828
-1.1213 -0.9780 -0.8871 -0.8078 -0.3800 -0.3257 -0.0946 -0.0588
0.3487 0.3929 0.6449 0.8160 0.9796 1.1247 1.5353 1.5495
1.6453 1.6655 1.9838 1.9999 2.5067 2.5365 2.8916 2.9226
2.9536 3.0306 3.1708 3.2005 3.8213 3.8290 4.5099 4.5159
4.7807 4.7908 6.8360 6.8409 9.2293 9.2359 10.1506 10.1916
11.0277 11.0921 12.0477 12.1285 13.2717 13.4495
k = 0.4125 0.2135-0.1891 ( 4303 PWs) bands (ev):
-22.4771 -22.4770 -21.5768 -21.5766 -20.3454 -20.3453 -15.0971 -15.0968
-13.5674 -13.5666 -12.1579 -12.1570 -7.8142 -7.8126 -4.5254 -4.5207
-2.6375 -2.6281 -2.3032 -2.2856 -1.8393 -1.8117 -1.3918 -1.2820
-1.1377 -0.9842 -0.8820 -0.7993 -0.3834 -0.3215 -0.1002 -0.0598
0.3440 0.3952 0.6303 0.8064 0.9998 1.1492 1.5360 1.5526
1.6571 1.6796 1.9800 1.9974 2.4921 2.5257 2.8919 2.9323
2.9501 3.0383 3.1798 3.2108 3.8196 3.8281 4.5051 4.5120
4.7778 4.7892 6.8214 6.8271 9.2264 9.2338 10.1563 10.2030
11.0471 11.1218 12.0376 12.1307 13.2522 13.4575
k = 0.4000 0.2071-0.1833 ( 4303 PWs) bands (ev):
-22.4775 -22.4773 -21.5767 -21.5765 -20.3454 -20.3453 -15.0972 -15.0968
-13.5665 -13.5657 -12.1557 -12.1546 -7.8164 -7.8146 -4.5249 -4.5196
-2.6397 -2.6293 -2.3024 -2.2836 -1.8445 -1.8138 -1.4017 -1.2837
-1.1519 -0.9913 -0.8768 -0.7917 -0.3865 -0.3177 -0.1059 -0.0615
0.3388 0.3969 0.6174 0.7947 1.0232 1.1746 1.5356 1.5546
1.6720 1.6960 1.9758 1.9938 2.4770 2.5143 2.8914 2.9401
2.9499 3.0465 3.1903 3.2219 3.8178 3.8271 4.4997 4.5073
4.7749 4.7876 6.8048 6.8112 9.2236 9.2319 10.1627 10.2148
11.0696 11.1543 12.0275 12.1324 13.2321 13.4621
k = 0.3875 0.2006-0.1776 ( 4301 PWs) bands (ev):
-22.4779 -22.4777 -21.5766 -21.5763 -20.3455 -20.3454 -15.0972 -15.0967
-13.5655 -13.5646 -12.1533 -12.1521 -7.8188 -7.8168 -4.5243 -4.5185
-2.6421 -2.6307 -2.3014 -2.2819 -1.8497 -1.8166 -1.4112 -1.2882
-1.1635 -0.9986 -0.8722 -0.7852 -0.3893 -0.3143 -0.1118 -0.0639
0.3332 0.3981 0.6061 0.7819 1.0486 1.2009 1.5342 1.5558
1.6895 1.7143 1.9711 1.9891 2.4618 2.5028 2.8902 2.9403
2.9583 3.0550 3.2019 3.2337 3.8159 3.8257 4.4937 4.5018
4.7723 4.7860 6.7861 6.7933 9.2212 9.2304 10.1697 10.2268
11.0947 11.1892 12.0175 12.1336 13.2116 13.4610
k = 0.3750 0.1941-0.1719 ( 4299 PWs) bands (ev):
-22.4783 -22.4782 -21.5764 -21.5761 -20.3456 -20.3454 -15.0972 -15.0967
-13.5645 -13.5634 -12.1506 -12.1493 -7.8214 -7.8193 -4.5236 -4.5173
-2.6447 -2.6325 -2.3002 -2.2807 -1.8550 -1.8199 -1.4202 -1.2953
-1.1722 -1.0058 -0.8683 -0.7797 -0.3918 -0.3114 -0.1176 -0.0668
0.3269 0.3989 0.5962 0.7690 1.0751 1.2281 1.5318 1.5564
1.7091 1.7340 1.9659 1.9830 2.4469 2.4917 2.8883 2.9384
2.9698 3.0639 3.2144 3.2463 3.8139 3.8242 4.4871 4.4957
4.7699 4.7846 6.7654 6.7734 9.2194 9.2293 10.1772 10.2388
11.1219 11.2259 12.0080 12.1347 13.1907 13.4523
k = 0.3625 0.1877-0.1662 ( 4301 PWs) bands (ev):
-22.4788 -22.4786 -21.5763 -21.5760 -20.3457 -20.3455 -15.0973 -15.0967
-13.5633 -13.5621 -12.1477 -12.1463 -7.8243 -7.8220 -4.5228 -4.5161
-2.6475 -2.6345 -2.2991 -2.2801 -1.8601 -1.8238 -1.4285 -1.3046
-1.1783 -1.0127 -0.8652 -0.7754 -0.3941 -0.3088 -0.1234 -0.0703
0.3201 0.3992 0.5877 0.7562 1.1022 1.2563 1.5287 1.5568
1.7302 1.7544 1.9603 1.9755 2.4326 2.4815 2.8858 2.9367
2.9822 3.0730 3.2275 3.2598 3.8119 3.8224 4.4800 4.4890
4.7680 4.7833 6.7428 6.7515 9.2182 9.2289 10.1849 10.2507
11.1506 11.2637 11.9993 12.1358 13.1695 13.4364
k = 0.3500 0.1812-0.1604 ( 4301 PWs) bands (ev):
-22.4793 -22.4792 -21.5761 -21.5758 -20.3458 -20.3456 -15.0973 -15.0967
-13.5620 -13.5608 -12.1445 -12.1430 -7.8273 -7.8249 -4.5219 -4.5148
-2.6504 -2.6368 -2.2979 -2.2801 -1.8650 -1.8283 -1.4360 -1.3151
-1.1825 -1.0190 -0.8631 -0.7722 -0.3962 -0.3067 -0.1292 -0.0744
0.3127 0.3990 0.5803 0.7438 1.1296 1.2853 1.5250 1.5575
1.7522 1.7748 1.9545 1.9666 2.4193 2.4724 2.8828 2.9355
2.9948 3.0822 3.2408 3.2743 3.8098 3.8205 4.4724 4.4818
4.7664 4.7823 6.7184 6.7278 9.2178 9.2293 10.1929 10.2624
11.1800 11.3017 11.9919 12.1372 13.1482 13.4159
k = 0.3375 0.1747-0.1547 ( 4300 PWs) bands (ev):
-22.4799 -22.4797 -21.5759 -21.5756 -20.3459 -20.3457 -15.0973 -15.0967
-13.5606 -13.5594 -12.1412 -12.1396 -7.8306 -7.8280 -4.5209 -4.5135
-2.6537 -2.6394 -2.2969 -2.2807 -1.8696 -1.8333 -1.4428 -1.3260
-1.1854 -1.0247 -0.8618 -0.7701 -0.3982 -0.3051 -0.1348 -0.0789
0.3049 0.3985 0.5738 0.7320 1.1567 1.3150 1.5210 1.5589
1.7742 1.7942 1.9486 1.9568 2.4074 2.4649 2.8795 2.9350
3.0076 3.0913 3.2542 3.2898 3.8077 3.8185 4.4645 4.4741
4.7653 4.7816 6.6922 6.7022 9.2183 9.2305 10.2009 10.2739
11.2095 11.3389 11.9862 12.1395 13.1271 13.3930
k = 0.3250 0.1682-0.1490 ( 4297 PWs) bands (ev):
-22.4805 -22.4803 -21.5757 -21.5754 -20.3460 -20.3458 -15.0974 -15.0967
-13.5592 -13.5579 -12.1377 -12.1360 -7.8340 -7.8312 -4.5198 -4.5121
-2.6571 -2.6422 -2.2962 -2.2819 -1.8738 -1.8387 -1.4486 -1.3366
-1.1874 -1.0297 -0.8614 -0.7690 -0.4000 -0.3039 -0.1403 -0.0838
0.2966 0.3975 0.5679 0.7207 1.1833 1.3450 1.5169 1.5612
1.7949 1.8121 1.9402 1.9495 2.3972 2.4591 2.8761 2.9350
3.0204 3.1001 3.2676 3.3062 3.8056 3.8164 4.4564 4.4660
4.7645 4.7812 6.6643 6.6750 9.2198 9.2327 10.2090 10.2851
11.2380 11.3743 11.9831 12.1430 13.1062 13.3695
k = 0.3125 0.1618-0.1432 ( 4290 PWs) bands (ev):
-22.4810 -22.4808 -21.5755 -21.5752 -20.3461 -20.3459 -15.0974 -15.0967
-13.5577 -13.5564 -12.1340 -12.1323 -7.8375 -7.8347 -4.5186 -4.5107
-2.6609 -2.6453 -2.2960 -2.2837 -1.8775 -1.8445 -1.4536 -1.3463
-1.1890 -1.0341 -0.8616 -0.7690 -0.4018 -0.3031 -0.1455 -0.0891
0.2881 0.3960 0.5626 0.7101 1.2089 1.3749 1.5133 1.5649
1.8103 1.8298 1.9273 1.9487 2.3892 2.4553 2.8728 2.9357
3.0331 3.1086 3.2809 3.3234 3.8035 3.8143 4.4481 4.4578
4.7642 4.7811 6.6350 6.6462 9.2224 9.2359 10.2170 10.2959
11.2647 11.4065 11.9831 12.1484 13.0858 13.3462
k = 0.3000 0.1553-0.1375 ( 4289 PWs) bands (ev):
-22.4816 -22.4814 -21.5753 -21.5749 -20.3462 -20.3460 -15.0974 -15.0967
-13.5562 -13.5548 -12.1302 -12.1284 -7.8411 -7.8382 -4.5174 -4.5093
-2.6649 -2.6487 -2.2968 -2.2855 -1.8808 -1.8506 -1.4576 -1.3549
-1.1905 -1.0378 -0.8625 -0.7699 -0.4035 -0.3026 -0.1505 -0.0947
0.2792 0.3940 0.5576 0.7001 1.2332 1.4035 1.5111 1.5701
1.8161 1.8496 1.9120 1.9537 2.3834 2.4534 2.8698 2.9371
3.0456 3.1167 3.2942 3.3412 3.8013 3.8123 4.4397 4.4494
4.7643 4.7812 6.6042 6.6160 9.2260 9.2403 10.2249 10.3064
11.2885 11.4343 11.9869 12.1562 13.0662 13.3238
k = 0.2875 0.1488-0.1318 ( 4287 PWs) bands (ev):
-22.4822 -22.4820 -21.5750 -21.5747 -20.3463 -20.3461 -15.0974 -15.0967
-13.5546 -13.5531 -12.1263 -12.1245 -7.8448 -7.8419 -4.5160 -4.5078
-2.6691 -2.6524 -2.2988 -2.2871 -1.8837 -1.8567 -1.4605 -1.3620
-1.1918 -1.0410 -0.8639 -0.7716 -0.4053 -0.3025 -0.1552 -0.1006
0.2702 0.3915 0.5527 0.6907 1.2555 1.4286 1.5124 1.5773
1.8133 1.8698 1.8955 1.9636 2.3801 2.4534 2.8673 2.9392
3.0578 3.1243 3.3074 3.3594 3.7991 3.8105 4.4314 4.4410
4.7647 4.7816 6.5721 6.5844 9.2309 9.2457 10.2326 10.3165
11.3087 11.4567 11.9951 12.1670 13.0477 13.3030
k = 0.2750 0.1424-0.1260 ( 4288 PWs) bands (ev):
-22.4829 -22.4827 -21.5749 -21.5745 -20.3465 -20.3463 -15.0974 -15.0967
-13.5530 -13.5515 -12.1223 -12.1205 -7.8487 -7.8457 -4.5146 -4.5063
-2.6737 -2.6564 -2.3023 -2.2882 -1.8863 -1.8628 -1.4625 -1.3676
-1.1931 -1.0436 -0.8658 -0.7741 -0.4071 -0.3026 -0.1596 -0.1067
0.2611 0.3884 0.5481 0.6819 1.2757 1.4463 1.5208 1.5866
1.8045 1.8756 1.8920 1.9769 2.3795 2.4554 2.8654 2.9420
3.0696 3.1314 3.3206 3.3778 3.7968 3.8090 4.4233 4.4326
4.7653 4.7821 6.5389 6.5517 9.2368 9.2523 10.2402 10.3262
11.3243 11.4727 12.0077 12.1812 13.0305 13.2841
k = 0.2625 0.1359-0.1203 ( 4285 PWs) bands (ev):
-22.4835 -22.4833 -21.5746 -21.5742 -20.3466 -20.3464 -15.0974 -15.0967
-13.5513 -13.5499 -12.1183 -12.1164 -7.8525 -7.8495 -4.5132 -4.5049
-2.6785 -2.6607 -2.3068 -2.2891 -1.8889 -1.8685 -1.4634 -1.3716
-1.1944 -1.0457 -0.8679 -0.7772 -0.4089 -0.3029 -0.1639 -0.1129
0.2519 0.3846 0.5436 0.6736 1.2933 1.4540 1.5384 1.5978
1.7922 1.8578 1.9105 1.9917 2.3815 2.4590 2.8645 2.9455
3.0810 3.1380 3.3338 3.3962 3.7946 3.8077 4.4153 4.4244
4.7662 4.7829 6.5049 6.5180 9.2439 9.2600 10.2475 10.3356
11.3350 11.4822 12.0245 12.1989 13.0151 13.2675
k = 0.2500 0.1294-0.1146 ( 4289 PWs) bands (ev):
-22.4842 -22.4840 -21.5744 -21.5740 -20.3467 -20.3465 -15.0974 -15.0967
-13.5497 -13.5482 -12.1142 -12.1123 -7.8564 -7.8534 -4.5117 -4.5034
-2.6836 -2.6652 -2.3120 -2.2902 -1.8917 -1.8734 -1.4633 -1.3741
-1.1956 -1.0475 -0.8704 -0.7808 -0.4108 -0.3033 -0.1680 -0.1191
0.2426 0.3800 0.5392 0.6658 1.3082 1.4547 1.5614 1.6105
1.7785 1.8394 1.9286 2.0067 2.3859 2.4640 2.8646 2.9498
3.0919 3.1440 3.3470 3.4143 3.7925 3.8068 4.4076 4.4164
4.7673 4.7837 6.4700 6.4835 9.2522 9.2687 10.2546 10.3445
11.3404 11.4854 12.0446 12.2199 13.0019 13.2534
k = 0.2375 0.1229-0.1089 ( 4291 PWs) bands (ev):
-22.4849 -22.4846 -21.5742 -21.5738 -20.3469 -20.3466 -15.0974 -15.0967
-13.5480 -13.5465 -12.1101 -12.1083 -7.8603 -7.8573 -4.5101 -4.5020
-2.6889 -2.6701 -2.3176 -2.2915 -1.8950 -1.8773 -1.4621 -1.3753
-1.1967 -1.0489 -0.8731 -0.7847 -0.4127 -0.3037 -0.1719 -0.1252
0.2333 0.3747 0.5349 0.6583 1.3204 1.4521 1.5848 1.6236
1.7658 1.8222 1.9454 2.0211 2.3926 2.4703 2.8659 2.9549
3.1023 3.1496 3.3601 3.4321 3.7904 3.8063 4.4001 4.4087
4.7685 4.7846 6.4346 6.4484 9.2616 9.2786 10.2615 10.3530
11.3406 11.4827 12.0673 12.2435 12.9913 13.2422
k = 0.2250 0.1165-0.1031 ( 4289 PWs) bands (ev):
-22.4855 -22.4852 -21.5740 -21.5736 -20.3470 -20.3468 -15.0974 -15.0967
-13.5464 -13.5449 -12.1060 -12.1042 -7.8642 -7.8612 -4.5086 -4.5005
-2.6945 -2.6753 -2.3232 -2.2931 -1.8989 -1.8801 -1.4600 -1.3753
-1.1976 -1.0501 -0.8759 -0.7888 -0.4147 -0.3042 -0.1758 -0.1311
0.2240 0.3684 0.5309 0.6511 1.3302 1.4479 1.6044 1.6349
1.7573 1.8079 1.9609 2.0343 2.4013 2.4776 2.8685 2.9609
3.1121 3.1547 3.3732 3.4494 3.7886 3.8061 4.3930 4.4013
4.7698 4.7855 6.3990 6.4129 9.2720 9.2894 10.2681 10.3610
11.3360 11.4750 12.0915 12.2687 12.9840 13.2340
k = 0.2125 0.1100-0.0974 ( 4287 PWs) bands (ev):
-22.4861 -22.4859 -21.5737 -21.5734 -20.3471 -20.3469 -15.0974 -15.0967
-13.5448 -13.5433 -12.1020 -12.1002 -7.8680 -7.8651 -4.5070 -4.4991
-2.7002 -2.6808 -2.3288 -2.2950 -1.9031 -1.8820 -1.4569 -1.3743
-1.1982 -1.0512 -0.8789 -0.7929 -0.4166 -0.3046 -0.1796 -0.1366
0.2146 0.3613 0.5271 0.6441 1.3378 1.4430 1.6162 1.6418
1.7566 1.7993 1.9751 2.0461 2.4116 2.4856 2.8725 2.9676
3.1212 3.1594 3.3862 3.4661 3.7870 3.8061 4.3862 4.3942
4.7711 4.7864 6.3632 6.3773 9.2834 9.3012 10.2744 10.3684
11.3272 11.4631 12.1162 12.2943 12.9805 13.2288
k = 0.2000 0.1035-0.0917 ( 4286 PWs) bands (ev):
-22.4867 -22.4865 -21.5735 -21.5732 -20.3472 -20.3470 -15.0974 -15.0967
-13.5431 -13.5417 -12.0980 -12.0963 -7.8718 -7.8690 -4.5054 -4.4977
-2.7060 -2.6866 -2.3342 -2.2973 -1.9072 -1.8833 -1.4531 -1.3725
-1.1985 -1.0521 -0.8819 -0.7969 -0.4184 -0.3049 -0.1835 -0.1416
0.2053 0.3532 0.5237 0.6374 1.3434 1.4377 1.6171 1.6423
1.7653 1.7990 1.9879 2.0564 2.4232 2.4941 2.8780 2.9752
3.1295 3.1636 3.3991 3.4819 3.7856 3.8064 4.3798 4.3876
4.7724 4.7872 6.3276 6.3417 9.2957 9.3137 10.2804 10.3752
11.3148 11.4476 12.1407 12.3188 12.9813 13.2265
k = 0.1875 0.0971-0.0859 ( 4282 PWs) bands (ev):
-22.4873 -22.4870 -21.5733 -21.5729 -20.3473 -20.3471 -15.0973 -15.0967
-13.5416 -13.5402 -12.0942 -12.0924 -7.8755 -7.8727 -4.5037 -4.4964
-2.7119 -2.6926 -2.3393 -2.3000 -1.9110 -1.8844 -1.4485 -1.3701
-1.1983 -1.0532 -0.8849 -0.8007 -0.4200 -0.3052 -0.1875 -0.1461
0.1960 0.3441 0.5206 0.6308 1.3475 1.4323 1.6089 1.6360
1.7810 1.8083 1.9995 2.0653 2.4356 2.5029 2.8850 2.9836
3.1370 3.1675 3.4120 3.4968 3.7847 3.8070 4.3737 4.3813
4.7737 4.7879 6.2924 6.3065 9.3088 9.3270 10.2861 10.3814
11.2997 11.4293 12.1644 12.3411 12.9868 13.2271
k = 0.1750 0.0906-0.0802 ( 4282 PWs) bands (ev):
-22.4878 -22.4876 -21.5731 -21.5727 -20.3474 -20.3472 -15.0973 -15.0967
-13.5401 -13.5387 -12.0904 -12.0887 -7.8790 -7.8764 -4.5022 -4.4952
-2.7179 -2.6987 -2.3438 -2.3030 -1.9143 -1.8853 -1.4433 -1.3673
-1.1977 -1.0543 -0.8879 -0.8042 -0.4213 -0.3056 -0.1915 -0.1500
0.1868 0.3340 0.5180 0.6242 1.3503 1.4267 1.5955 1.6241
1.8003 1.8251 2.0100 2.0727 2.4485 2.5117 2.8935 2.9926
3.1436 3.1709 3.4248 3.5107 3.7841 3.8077 4.3679 4.3755
4.7748 4.7884 6.2579 6.2718 9.3226 9.3409 10.2914 10.3867
11.2825 11.4088 12.1868 12.3601 12.9971 13.2304
k = 0.1625 0.0841-0.0745 ( 4278 PWs) bands (ev):
-22.4884 -22.4882 -21.5728 -21.5725 -20.3475 -20.3473 -15.0973 -15.0967
-13.5386 -13.5373 -12.0868 -12.0852 -7.8825 -7.8800 -4.5006 -4.4940
-2.7237 -2.7050 -2.3479 -2.3062 -1.9171 -1.8863 -1.4377 -1.3644
-1.1964 -1.0558 -0.8906 -0.8074 -0.4222 -0.3061 -0.1954 -0.1533
0.1778 0.3229 0.5158 0.6178 1.3520 1.4210 1.5799 1.6087
1.8214 1.8461 2.0193 2.0789 2.4617 2.5204 2.9033 3.0024
3.1491 3.1740 3.4375 3.5234 3.7839 3.8085 4.3625 4.3701
4.7758 4.7887 6.2243 6.2380 9.3370 9.3552 10.2965 10.3912
11.2640 11.3867 12.2076 12.3753 13.0122 13.2358
k = 0.1500 0.0777-0.0688 ( 4275 PWs) bands (ev):
-22.4889 -22.4887 -21.5726 -21.5723 -20.3476 -20.3474 -15.0972 -15.0966
-13.5372 -13.5360 -12.0833 -12.0818 -7.8857 -7.8834 -4.4991 -4.4928
-2.7294 -2.7114 -2.3513 -2.3096 -1.9193 -1.8873 -1.4317 -1.3615
-1.1944 -1.0575 -0.8930 -0.8103 -0.4226 -0.3068 -0.1990 -0.1561
0.1691 0.3109 0.5142 0.6114 1.3527 1.4152 1.5640 1.5917
1.8431 1.8686 2.0277 2.0838 2.4748 2.5290 2.9144 3.0126
3.1535 3.1765 3.4501 3.5351 3.7841 3.8093 4.3575 4.3650
4.7766 4.7888 6.1920 6.2053 9.3518 9.3698 10.3012 10.3947
11.2449 11.3635 12.2267 12.3864 13.0315 13.2432
k = 0.1375 0.0712-0.0630 ( 4274 PWs) bands (ev):
-22.4894 -22.4892 -21.5724 -21.5721 -20.3477 -20.3475 -15.0972 -15.0966
-13.5359 -13.5347 -12.0800 -12.0786 -7.8888 -7.8866 -4.4976 -4.4918
-2.7350 -2.7177 -2.3542 -2.3132 -1.9208 -1.8884 -1.4255 -1.3588
-1.1917 -1.0598 -0.8949 -0.8130 -0.4224 -0.3080 -0.2021 -0.1584
0.1608 0.2981 0.5131 0.6050 1.3527 1.4092 1.5486 1.5745
1.8648 1.8911 2.0352 2.0877 2.4876 2.5371 2.9267 3.0234
3.1567 3.1786 3.4627 3.5454 3.7847 3.8102 4.3529 4.3604
4.7773 4.7887 6.1611 6.1739 9.3667 9.3844 10.3057 10.3972
11.2259 11.3397 12.2438 12.3937 13.0543 13.2518
k = 0.1250 0.0647-0.0573 ( 4273 PWs) bands (ev):
-22.4899 -22.4897 -21.5722 -21.5720 -20.3478 -20.3476 -15.0971 -15.0966
-13.5346 -13.5336 -12.0769 -12.0756 -7.8917 -7.8897 -4.4962 -4.4908
-2.7403 -2.7240 -2.3565 -2.3169 -1.9218 -1.8897 -1.4191 -1.3565
-1.1884 -1.0626 -0.8961 -0.8156 -0.4214 -0.3097 -0.2046 -0.1605
0.1530 0.2845 0.5126 0.5986 1.3520 1.4030 1.5343 1.5578
1.8859 1.9127 2.0419 2.0906 2.5001 2.5449 2.9398 3.0345
3.1586 3.1802 3.4751 3.5546 3.7856 3.8109 4.3486 4.3562
4.7778 4.7883 6.1320 6.1442 9.3817 9.3989 10.3100 10.3986
11.2074 11.3156 12.2592 12.3975 13.0796 13.2613
k = 0.1125 0.0582-0.0516 ( 4277 PWs) bands (ev):
-22.4903 -22.4902 -21.5721 -21.5719 -20.3479 -20.3477 -15.0971 -15.0966
-13.5335 -13.5325 -12.0741 -12.0728 -7.8944 -7.8925 -4.4949 -4.4900
-2.7452 -2.7300 -2.3582 -2.3207 -1.9222 -1.8912 -1.4128 -1.3548
-1.1843 -1.0661 -0.8963 -0.8183 -0.4195 -0.3121 -0.2062 -0.1623
0.1460 0.2703 0.5127 0.5922 1.3507 1.3965 1.5214 1.5422
1.9060 1.9327 2.0480 2.0926 2.5119 2.5520 2.9538 3.0457
3.1593 3.1811 3.4873 3.5624 3.7869 3.8115 4.3448 4.3523
4.7781 4.7877 6.1048 6.1164 9.3965 9.4130 10.3141 10.3988
11.1900 11.2918 12.2729 12.3985 13.1065 13.2709
k = 0.1000 0.0518-0.0458 ( 4272 PWs) bands (ev):
-22.4907 -22.4906 -21.5720 -21.5717 -20.3479 -20.3478 -15.0971 -15.0966
-13.5324 -13.5315 -12.0714 -12.0703 -7.8968 -7.8951 -4.4937 -4.4892
-2.7497 -2.7358 -2.3593 -2.3245 -1.9221 -1.8928 -1.4065 -1.3536
-1.1795 -1.0703 -0.8956 -0.8212 -0.4167 -0.3153 -0.2068 -0.1640
0.1399 0.2557 0.5134 0.5858 1.3491 1.3899 1.5102 1.5283
1.9248 1.9507 2.0535 2.0940 2.5232 2.5585 2.9683 3.0569
3.1586 3.1814 3.4994 3.5689 3.7885 3.8119 4.3415 4.3487
4.7782 4.7869 6.0800 6.0906 9.4109 9.4264 10.3182 10.3979
11.1742 11.2686 12.2851 12.3971 13.1339 13.2804
k = 0.0875 0.0453-0.0401 ( 4266 PWs) bands (ev):
-22.4910 -22.4909 -21.5718 -21.5716 -20.3480 -20.3479 -15.0970 -15.0966
-13.5315 -13.5307 -12.0691 -12.0681 -7.8990 -7.8974 -4.4925 -4.4886
-2.7537 -2.7413 -2.3598 -2.3282 -1.9216 -1.8945 -1.4003 -1.3530
-1.1741 -1.0753 -0.8938 -0.8244 -0.4130 -0.3194 -0.2065 -0.1658
0.1351 0.2408 0.5147 0.5795 1.3472 1.3832 1.5008 1.5161
1.9419 1.9667 2.0586 2.0947 2.5336 2.5643 2.9832 3.0679
3.1566 3.1809 3.5110 3.5741 3.7904 3.8121 4.3386 4.3455
4.7782 4.7860 6.0576 6.0673 9.4246 9.4390 10.3224 10.3958
11.1605 11.2464 12.2960 12.3941 13.1609 13.2890
k = 0.0750 0.0388-0.0344 ( 4269 PWs) bands (ev):
-22.4914 -22.4913 -21.5717 -21.5715 -20.3480 -20.3479 -15.0970 -15.0966
-13.5306 -13.5299 -12.0670 -12.0661 -7.9009 -7.8995 -4.4914 -4.4881
-2.7571 -2.7463 -2.3598 -2.3319 -1.9207 -1.8964 -1.3943 -1.3530
-1.1681 -1.0810 -0.8910 -0.8280 -0.4084 -0.3244 -0.2052 -0.1677
0.1316 0.2258 0.5166 0.5732 1.3453 1.3764 1.4930 1.5057
1.9573 1.9802 2.0633 2.0948 2.5431 2.5693 2.9984 3.0783
3.1535 3.1797 3.5222 3.5779 3.7924 3.8120 4.3362 4.3426
4.7781 4.7849 6.0378 6.0464 9.4374 9.4503 10.3266 10.3925
11.1491 11.2253 12.3058 12.3897 13.1868 13.2963
k = 0.0625 0.0324-0.0286 ( 4268 PWs) bands (ev):
-22.4917 -22.4916 -21.5715 -21.5714 -20.3481 -20.3480 -15.0969 -15.0967
-13.5299 -13.5293 -12.0652 -12.0645 -7.9025 -7.9014 -4.4905 -4.4877
-2.7600 -2.7508 -2.3594 -2.3355 -1.9194 -1.8984 -1.3886 -1.3537
-1.1616 -1.0873 -0.8872 -0.8321 -0.4029 -0.3301 -0.2031 -0.1699
0.1298 0.2111 0.5191 0.5670 1.3436 1.3698 1.4868 1.4971
1.9708 1.9913 2.0677 2.0944 2.5517 2.5733 3.0135 3.0877
3.1498 3.1777 3.5328 3.5804 3.7946 3.8116 4.3343 4.3400
4.7780 4.7837 6.0210 6.0283 9.4490 9.4603 10.3311 10.3883
11.1403 11.2058 12.3147 12.3844 13.2110 13.3019
k = 0.0500 0.0259-0.0229 ( 4266 PWs) bands (ev):
-22.4919 -22.4919 -21.5714 -21.5713 -20.3481 -20.3480 -15.0969 -15.0967
-13.5292 -13.5288 -12.0637 -12.0631 -7.9038 -7.9029 -4.4896 -4.4874
-2.7623 -2.7548 -2.3584 -2.3390 -1.9178 -1.9006 -1.3832 -1.3549
-1.1548 -1.0941 -0.8826 -0.8367 -0.3966 -0.3365 -0.2003 -0.1723
0.1298 0.1968 0.5221 0.5610 1.3424 1.3635 1.4821 1.4902
1.9823 1.9997 2.0719 2.0936 2.5591 2.5764 3.0285 3.0949
3.1462 3.1747 3.5427 3.5815 3.7968 3.8109 4.3329 4.3377
4.7779 4.7825 6.0071 6.0131 9.4591 9.4685 10.3359 10.3833
11.1342 11.1880 12.3230 12.3785 13.2330 13.3054
k = 0.0375 0.0194-0.0172 ( 4265 PWs) bands (ev):
-22.4921 -22.4921 -21.5714 -21.5713 -20.3481 -20.3481 -15.0969 -15.0967
-13.5287 -13.5284 -12.0625 -12.0620 -7.9048 -7.9041 -4.4889 -4.4872
-2.7638 -2.7582 -2.3571 -2.3423 -1.9160 -1.9028 -1.3782 -1.3568
-1.1475 -1.1014 -0.8773 -0.8418 -0.3896 -0.3435 -0.1970 -0.1752
0.1318 0.1833 0.5256 0.5551 1.3418 1.3577 1.4788 1.4849
1.9919 2.0056 2.0759 2.0923 2.5655 2.5783 3.0430 3.0986
3.1444 3.1709 3.5516 3.5812 3.7991 3.8099 4.3320 4.3358
4.7779 4.7814 5.9964 6.0010 9.4676 9.4749 10.3411 10.3776
11.1311 11.1723 12.3307 12.3722 13.2525 13.3065
k = 0.0250 0.0129-0.0115 ( 4264 PWs) bands (ev):
-22.4922 -22.4922 -21.5713 -21.5713 -20.3481 -20.3481 -15.0968 -15.0967
-13.5284 -13.5281 -12.0616 -12.0613 -7.9055 -7.9050 -4.4883 -4.4872
-2.7647 -2.7609 -2.3554 -2.3454 -1.9140 -1.9051 -1.3735 -1.3591
-1.1400 -1.1089 -0.8716 -0.8474 -0.3822 -0.3509 -0.1934 -0.1784
0.1358 0.1708 0.5295 0.5494 1.3420 1.3527 1.4769 1.4809
1.9995 2.0089 2.0796 2.0907 2.5707 2.5792 3.0569 3.0972
3.1456 3.1663 3.5596 3.5795 3.8013 3.8086 4.3316 4.3342
4.7781 4.7804 5.9889 5.9920 9.4742 9.4792 10.3466 10.3714
11.1310 11.1589 12.3380 12.3656 13.2690 13.3049
k = 0.0125 0.0065-0.0057 ( 4260 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3481 -20.3481 -15.0968 -15.0967
-13.5281 -13.5280 -12.0610 -12.0609 -7.9058 -7.9056 -4.4878 -4.4873
-2.7648 -2.7629 -2.3533 -2.3483 -1.9119 -1.9073 -1.3692 -1.3620
-1.1323 -1.1167 -0.8655 -0.8532 -0.3745 -0.3586 -0.1896 -0.1819
0.1419 0.1595 0.5340 0.5439 1.3431 1.3485 1.4762 1.4781
2.0050 2.0098 2.0830 2.0886 2.5747 2.5789 3.0699 3.0909
3.1498 3.1610 3.5665 3.5765 3.8034 3.8071 4.3316 4.3329
4.7784 4.7795 5.9847 5.9863 9.4788 9.4813 10.3525 10.3651
11.1338 11.1479 12.3452 12.3589 13.2826 13.3005
k = 0.0000 0.0000 0.0000 ( 4265 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3481 -20.3481 -15.0967 -15.0967
-13.5280 -13.5280 -12.0608 -12.0608 -7.9059 -7.9059 -4.4875 -4.4875
-2.7642 -2.7642 -2.3510 -2.3510 -1.9096 -1.9096 -1.3654 -1.3654
-1.1245 -1.1245 -0.8594 -0.8594 -0.3666 -0.3666 -0.1857 -0.1857
0.1498 0.1498 0.5388 0.5388 1.3453 1.3453 1.4766 1.4766
2.0085 2.0085 2.0860 2.0860 2.5774 2.5774 3.0814 3.0814
3.1552 3.1552 3.5721 3.5721 3.8053 3.8053 4.3321 4.3321
4.7788 4.7788 5.9838 5.9838 9.4812 9.4812 10.3587 10.3587
11.1394 11.1394 12.3521 12.3521 13.2931 13.2931
k = 0.0000 0.0000 0.0000 ( 4265 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3481 -20.3481 -15.0967 -15.0967
-13.5280 -13.5280 -12.0608 -12.0608 -7.9059 -7.9059 -4.4875 -4.4875
-2.7642 -2.7642 -2.3510 -2.3510 -1.9096 -1.9096 -1.3654 -1.3654
-1.1245 -1.1245 -0.8594 -0.8594 -0.3666 -0.3666 -0.1857 -0.1857
0.1498 0.1498 0.5388 0.5388 1.3453 1.3453 1.4766 1.4766
2.0085 2.0085 2.0860 2.0860 2.5774 2.5774 3.0814 3.0814
3.1552 3.1552 3.5721 3.5721 3.8053 3.8053 4.3321 4.3321
4.7788 4.7788 5.9838 5.9838 9.4812 9.4812 10.3587 10.3587
11.1394 11.1394 12.3521 12.3521 13.2931 13.2931
k = 0.0000 0.0000 0.0152 ( 4264 PWs) bands (ev):
-22.4924 -22.4923 -21.5713 -21.5713 -20.3481 -20.3481 -15.0967 -15.0965
-13.5290 -13.5282 -12.0610 -12.0600 -7.9057 -7.9044 -4.4882 -4.4869
-2.7744 -2.7581 -2.3527 -2.3484 -1.9305 -1.8878 -1.3774 -1.3546
-1.1418 -1.1070 -0.8629 -0.8546 -0.3865 -0.3460 -0.1990 -0.1715
0.1458 0.1558 0.5274 0.5506 1.3428 1.3478 1.4732 1.4796
1.9976 2.0163 2.0815 2.0919 2.5747 2.5795 3.0727 3.0886
3.1483 3.1626 3.5675 3.5738 3.8031 3.8077 4.3321 4.3328
4.7785 4.7788 5.9851 5.9864 9.4719 9.4851 10.3555 10.3649
11.1345 11.1480 12.3464 12.3595 13.2753 13.3091
k = 0.0000 0.0000 0.0305 ( 4265 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3481 -20.3481 -15.0964 -15.0960
-13.5312 -13.5297 -12.0607 -12.0586 -7.9037 -7.9012 -4.4890 -4.4865
-2.7884 -2.7563 -2.3537 -2.3451 -1.9499 -1.8656 -1.3904 -1.3453
-1.1581 -1.0899 -0.8652 -0.8487 -0.4053 -0.3256 -0.2109 -0.1565
0.1439 0.1636 0.5166 0.5628 1.3403 1.3502 1.4695 1.4822
1.9844 2.0198 2.0796 2.0985 2.5715 2.5809 3.0628 3.0930
3.1429 3.1698 3.5601 3.5725 3.8010 3.8100 4.3328 4.3342
4.7778 4.7785 5.9902 5.9929 9.4574 9.4835 10.3554 10.3739
11.1332 11.1601 12.3423 12.3685 13.2557 13.3231
k = 0.0000 0.0000 0.0457 ( 4268 PWs) bands (ev):
-22.4922 -22.4922 -21.5713 -21.5713 -20.3481 -20.3481 -15.0958 -15.0952
-13.5345 -13.5323 -12.0597 -12.0567 -7.9001 -7.8964 -4.4898 -4.4861
-2.8058 -2.7591 -2.3538 -2.3411 -1.9674 -1.8436 -1.4040 -1.3377
-1.1730 -1.0742 -0.8664 -0.8414 -0.4228 -0.3067 -0.2202 -0.1408
0.1440 0.1731 0.5065 0.5752 1.3375 1.3527 1.4657 1.4842
1.9695 2.0185 2.0809 2.1051 2.5678 2.5817 3.0522 3.0935
3.1403 3.1764 3.5504 3.5681 3.7991 3.8122 4.3343 4.3363
4.7768 4.7778 5.9991 6.0032 9.4380 9.4763 10.3586 10.3854
11.1357 11.1754 12.3399 12.3791 13.2347 13.3350
k = 0.0000 0.0000 0.0610 ( 4269 PWs) bands (ev):
-22.4922 -22.4921 -21.5714 -21.5714 -20.3481 -20.3481 -15.0950 -15.0942
-13.5391 -13.5361 -12.0582 -12.0543 -7.8949 -7.8900 -4.4908 -4.4859
-2.8263 -2.7666 -2.3529 -2.3367 -1.9826 -1.8225 -1.4177 -1.3318
-1.1863 -1.0606 -0.8666 -0.8325 -0.4386 -0.2922 -0.2240 -0.1244
0.1462 0.1842 0.4973 0.5880 1.3344 1.3552 1.4618 1.4857
1.9534 2.0131 2.0847 2.1116 2.5635 2.5817 3.0410 3.0896
3.1410 3.1822 3.5387 3.5608 3.7973 3.8143 4.3365 4.3390
4.7754 4.7767 6.0117 6.0172 9.4142 9.4637 10.3650 10.3992
11.1417 11.1936 12.3391 12.3913 13.2122 13.3445
k = 0.0000 0.0000 0.0762 ( 4266 PWs) bands (ev):
-22.4920 -22.4920 -21.5714 -21.5713 -20.3481 -20.3480 -15.0938 -15.0929
-13.5447 -13.5411 -12.0562 -12.0514 -7.8880 -7.8820 -4.4919 -4.4858
-2.8494 -2.7786 -2.3512 -2.3318 -1.9953 -1.8030 -1.4309 -1.3278
-1.1975 -1.0496 -0.8661 -0.8220 -0.4523 -0.2865 -0.2183 -0.1072
0.1505 0.1966 0.4893 0.6010 1.3309 1.3575 1.4579 1.4865
1.9362 2.0050 2.0896 2.1177 2.5588 2.5809 3.0295 3.0825
3.1438 3.1869 3.5254 3.5508 3.7956 3.8160 4.3393 4.3424
4.7737 4.7754 6.0278 6.0349 9.3863 9.4458 10.3747 10.4152
11.1511 11.2145 12.3400 12.4050 13.1885 13.3514
k = 0.0000 0.0000 0.0914 ( 4265 PWs) bands (ev):
-22.4919 -22.4918 -21.5715 -21.5714 -20.3480 -20.3479 -15.0925 -15.0914
-13.5513 -13.5471 -12.0536 -12.0480 -7.8796 -7.8725 -4.4930 -4.4858
-2.8748 -2.7950 -2.3486 -2.3265 -2.0054 -1.7857 -1.4430 -1.3260
-1.2067 -1.0416 -0.8652 -0.8099 -0.4637 -0.2892 -0.2034 -0.0889
0.1570 0.2099 0.4829 0.6142 1.3267 1.3597 1.4542 1.4867
1.9183 1.9952 2.0948 2.1234 2.5536 2.5792 3.0177 3.0736
3.1471 3.1906 3.5110 3.5386 3.7940 3.8174 4.3428 4.3463
4.7716 4.7736 6.0475 6.0560 9.3546 9.4230 10.3875 10.4331
11.1636 11.2375 12.3425 12.4202 13.1639 13.3554
k = 0.0000 0.0000 0.1067 ( 4265 PWs) bands (ev):
-22.4917 -22.4917 -21.5716 -21.5715 -20.3480 -20.3479 -15.0909 -15.0896
-13.5588 -13.5541 -12.0506 -12.0443 -7.8697 -7.8615 -4.4942 -4.4859
-2.9022 -2.8155 -2.3453 -2.3210 -2.0128 -1.7711 -1.4535 -1.3265
-1.2136 -1.0363 -0.8645 -0.7968 -0.4725 -0.2960 -0.1839 -0.0696
0.1656 0.2235 0.4784 0.6277 1.3218 1.3614 1.4508 1.4862
1.8997 1.9842 2.0998 2.1286 2.5479 2.5766 3.0058 3.0640
3.1500 3.1930 3.4957 3.5245 3.7924 3.8184 4.3468 4.3507
4.7690 4.7716 6.0704 6.0805 9.3196 9.3955 10.4033 10.4527
11.1789 11.2625 12.3464 12.4368 13.1386 13.3559
k = 0.0000 0.0000 0.1219 ( 4262 PWs) bands (ev):
-22.4915 -22.4915 -21.5717 -21.5715 -20.3479 -20.3478 -15.0890 -15.0876
-13.5672 -13.5620 -12.0472 -12.0402 -7.8585 -7.8493 -4.4955 -4.4861
-2.9313 -2.8397 -2.3412 -2.3153 -2.0177 -1.7599 -1.4618 -1.3292
-1.2182 -1.0332 -0.8641 -0.7836 -0.4785 -0.3040 -0.1627 -0.0490
0.1763 0.2371 0.4765 0.6414 1.3160 1.3625 1.4479 1.4850
1.8807 1.9723 2.1042 2.1333 2.5416 2.5730 2.9937 3.0540
3.1519 3.1942 3.4800 3.5091 3.7908 3.8190 4.3514 4.3556
4.7661 4.7691 6.0964 6.1081 9.2817 9.3638 10.4217 10.4739
11.1967 11.2889 12.3518 12.4545 13.1130 13.3524
k = 0.0000 0.0000 0.1372 ( 4266 PWs) bands (ev):
-22.4913 -22.4913 -21.5718 -21.5717 -20.3478 -20.3477 -15.0870 -15.0854
-13.5764 -13.5707 -12.0433 -12.0358 -7.8459 -7.8359 -4.4968 -4.4864
-2.9617 -2.8671 -2.3365 -2.3094 -2.0202 -1.7523 -1.4678 -1.3342
-1.2207 -1.0320 -0.8641 -0.7710 -0.4815 -0.3118 -0.1413 -0.0272
0.1890 0.2498 0.4779 0.6553 1.3094 1.3627 1.4455 1.4830
1.8615 1.9598 2.1081 2.1375 2.5347 2.5683 2.9817 3.0439
3.1523 3.1940 3.4642 3.4930 3.7890 3.8191 4.3564 4.3609
4.7627 4.7664 6.1252 6.1386 9.2412 9.3284 10.4425 10.4964
11.2166 11.3167 12.3583 12.4734 13.0875 13.3442
k = 0.0000 0.0000 0.1524 ( 4270 PWs) bands (ev):
-22.4911 -22.4911 -21.5720 -21.5719 -20.3478 -20.3477 -15.0847 -15.0830
-13.5862 -13.5802 -12.0392 -12.0311 -7.8322 -7.8213 -4.4982 -4.4869
-2.9932 -2.8972 -2.3312 -2.3033 -2.0206 -1.7483 -1.4715 -1.3412
-1.2213 -1.0320 -0.8645 -0.7599 -0.4816 -0.3188 -0.1201 -0.0040
0.2037 0.2610 0.4832 0.6696 1.3017 1.3618 1.4438 1.4804
1.8423 1.9466 2.1113 2.1414 2.5271 2.5626 2.9697 3.0341
3.1508 3.1925 3.4485 3.4770 3.7873 3.8188 4.3617 4.3665
4.7589 4.7632 6.1567 6.1718 9.1985 9.2896 10.4653 10.5201
11.2382 11.3454 12.3657 12.4931 13.0627 13.3305
k = 0.0000 0.0000 0.1676 ( 4269 PWs) bands (ev):
-22.4909 -22.4908 -21.5721 -21.5720 -20.3477 -20.3476 -15.0823 -15.0805
-13.5966 -13.5903 -12.0348 -12.0263 -7.8174 -7.8058 -4.4997 -4.4875
-3.0255 -2.9294 -2.3254 -2.2971 -2.0192 -1.7476 -1.4734 -1.3498
-1.2204 -1.0330 -0.8652 -0.7507 -0.4793 -0.3245 -0.0995 0.0204
0.2203 0.2703 0.4929 0.6841 1.2931 1.3595 1.4427 1.4773
1.8233 1.9329 2.1140 2.1449 2.5188 2.5557 2.9578 3.0246
3.1473 3.1897 3.4330 3.4618 3.7856 3.8182 4.3674 4.3724
4.7548 4.7597 6.1906 6.2074 9.1539 9.2480 10.4898 10.5446
11.2615 11.3749 12.3736 12.5133 13.0390 13.3109
k = 0.0000 0.0000 0.1829 ( 4263 PWs) bands (ev):
-22.4906 -22.4905 -21.5722 -21.5721 -20.3476 -20.3475 -15.0797 -15.0778
-13.6074 -13.6008 -12.0302 -12.0214 -7.8016 -7.7895 -4.5011 -4.4882
-3.0583 -2.9633 -2.3191 -2.2907 -2.0162 -1.7497 -1.4742 -1.3598
-1.2181 -1.0345 -0.8660 -0.7437 -0.4751 -0.3286 -0.0795 0.0457
0.2385 0.2777 0.5072 0.6990 1.2837 1.3556 1.4422 1.4737
1.8045 1.9185 2.1160 2.1480 2.5096 2.5478 2.9460 3.0155
3.1418 3.1853 3.4180 3.4479 3.7838 3.8171 4.3734 4.3786
4.7502 4.7559 6.2266 6.2451 9.1079 9.2040 10.5156 10.5699
11.2860 11.4050 12.3814 12.5337 13.0173 13.2854
k = 0.0000 0.0000 0.1981 ( 4266 PWs) bands (ev):
-22.4904 -22.4903 -21.5724 -21.5723 -20.3476 -20.3475 -15.0770 -15.0750
-13.6186 -13.6118 -12.0254 -12.0164 -7.7851 -7.7725 -4.5026 -4.4890
-3.0913 -2.9984 -2.3125 -2.2842 -2.0119 -1.7539 -1.4747 -1.3708
-1.2147 -1.0365 -0.8669 -0.7386 -0.4699 -0.3310 -0.0603 0.0719
0.2574 0.2840 0.5257 0.7142 1.2734 1.3502 1.4422 1.4697
1.7862 1.9036 2.1176 2.1509 2.4996 2.5387 2.9344 3.0068
3.1344 3.1794 3.4038 3.4357 3.7822 3.8158 4.3796 4.3850
4.7454 4.7518 6.2646 6.2847 9.0607 9.1578 10.5425 10.5955
11.3115 11.4356 12.3885 12.5538 12.9983 13.2545
k = 0.0000 0.0000 0.2134 ( 4268 PWs) bands (ev):
-22.4901 -22.4900 -21.5726 -21.5724 -20.3475 -20.3474 -15.0741 -15.0721
-13.6299 -13.6231 -12.0205 -12.0114 -7.7679 -7.7550 -4.5041 -4.4900
-3.1242 -3.0342 -2.3056 -2.2777 -2.0064 -1.7597 -1.4755 -1.3827
-1.2103 -1.0387 -0.8675 -0.7354 -0.4643 -0.3316 -0.0417 0.0985
0.2738 0.2927 0.5478 0.7298 1.2624 1.3430 1.4425 1.4656
1.7685 1.8880 2.1186 2.1534 2.4888 2.5287 2.9228 2.9984
3.1257 3.1719 3.3907 3.4252 3.7806 3.8142 4.3859 4.3916
4.7402 4.7473 6.3042 6.3259 9.0126 9.1101 10.5699 10.6212
11.3380 11.4666 12.3940 12.5729 12.9828 13.2197
k = 0.0000 0.0000 0.2286 ( 4269 PWs) bands (ev):
-22.4899 -22.4898 -21.5727 -21.5726 -20.3474 -20.3473 -15.0712 -15.0691
-13.6414 -13.6345 -12.0156 -12.0065 -7.7503 -7.7371 -4.5056 -4.4911
-3.1568 -3.0703 -2.2984 -2.2710 -1.9999 -1.7663 -1.4774 -1.3951
-1.2050 -1.0410 -0.8678 -0.7336 -0.4590 -0.3306 -0.0238 0.1254
0.2821 0.3099 0.5730 0.7458 1.2510 1.3344 1.4427 1.4616
1.7514 1.8718 2.1193 2.1557 2.4771 2.5177 2.9113 2.9903
3.1160 3.1628 3.3792 3.4164 3.7791 3.8124 4.3923 4.3983
4.7347 4.7425 6.3451 6.3684 8.9640 9.0611 10.5976 10.6468
11.3653 11.4980 12.3971 12.5905 12.9714 13.1827
k = 0.0000 0.0000 0.2439 ( 4264 PWs) bands (ev):
-22.4895 -22.4894 -21.5729 -21.5727 -20.3473 -20.3472 -15.0682 -15.0661
-13.6528 -13.6460 -12.0106 -12.0016 -7.7324 -7.7191 -4.5071 -4.4922
-3.1889 -3.1063 -2.2910 -2.2644 -1.9927 -1.7734 -1.4808 -1.4079
-1.1990 -1.0434 -0.8676 -0.7330 -0.4541 -0.3282 -0.0065 0.1519
0.2864 0.3321 0.6004 0.7622 1.2392 1.3244 1.4425 1.4581
1.7351 1.8549 2.1196 2.1575 2.4647 2.5059 2.8999 2.9820
3.1059 3.1525 3.3695 3.4089 3.7778 3.8104 4.3988 4.4050
4.7290 4.7374 6.3871 6.4118 8.9151 9.0111 10.6252 10.6719
11.3933 11.5298 12.3969 12.6057 12.9645 13.1459
k = 0.0000 0.0000 0.2591 ( 4260 PWs) bands (ev):
-22.4892 -22.4891 -21.5730 -21.5728 -20.3472 -20.3470 -15.0652 -15.0630
-13.6641 -13.6573 -12.0057 -11.9969 -7.7144 -7.7011 -4.5085 -4.4935
-3.2200 -3.1418 -2.2834 -2.2578 -1.9848 -1.7805 -1.4857 -1.4211
-1.1924 -1.0457 -0.8668 -0.7334 -0.4497 -0.3251 0.0102 0.1773
0.2908 0.3558 0.6292 0.7789 1.2274 1.3133 1.4411 1.4557
1.7196 1.8374 2.1194 2.1589 2.4516 2.4934 2.8886 2.9735
3.0960 3.1414 3.3617 3.4026 3.7766 3.8082 4.4053 4.4117
4.7232 4.7321 6.4298 6.4557 8.8665 8.9607 10.6524 10.6964
11.4220 11.5618 12.3928 12.6177 12.9618 13.1117
k = 0.0000 0.0000 0.2743 ( 4262 PWs) bands (ev):
-22.4890 -22.4889 -21.5732 -21.5730 -20.3471 -20.3470 -15.0621 -15.0601
-13.6751 -13.6686 -12.0009 -11.9923 -7.6964 -7.6834 -4.5099 -4.4948
-3.2501 -3.1766 -2.2759 -2.2512 -1.9763 -1.7876 -1.4924 -1.4344
-1.1852 -1.0481 -0.8653 -0.7346 -0.4456 -0.3217 0.0264 0.2004
0.2971 0.3799 0.6589 0.7959 1.2159 1.3015 1.4383 1.4545
1.7049 1.8193 2.1189 2.1598 2.4382 2.4803 2.8773 2.9642
3.0868 3.1303 3.3555 3.3971 3.7756 3.8060 4.4118 4.4184
4.7172 4.7265 6.4729 6.4999 8.8182 8.9101 10.6788 10.7200
11.4514 11.5941 12.3844 12.6253 12.9618 13.0834
k = 0.0000 0.0000 0.2896 ( 4263 PWs) bands (ev):
-22.4888 -22.4887 -21.5733 -21.5731 -20.3470 -20.3469 -15.0592 -15.0571
-13.6858 -13.6795 -11.9963 -11.9880 -7.6787 -7.6660 -4.5112 -4.4963
-3.2789 -3.2103 -2.2683 -2.2449 -1.9674 -1.7942 -1.5005 -1.4479
-1.1777 -1.0504 -0.8632 -0.7365 -0.4416 -0.3187 0.0421 0.2196
0.3074 0.4038 0.6886 0.8130 1.2049 1.2894 1.4344 1.4541
1.6910 1.8008 2.1179 2.1600 2.4246 2.4670 2.8663 2.9540
3.0787 3.1196 3.3508 3.3922 3.7749 3.8037 4.4183 4.4250
4.7112 4.7208 6.5161 6.5438 8.7709 8.8597 10.7043 10.7424
11.4813 11.6267 12.3719 12.6269 12.9626 13.0644
k = 0.0000 0.0000 0.3048 ( 4266 PWs) bands (ev):
-22.4885 -22.4885 -21.5735 -21.5733 -20.3470 -20.3468 -15.0563 -15.0543
-13.6960 -13.6900 -11.9918 -11.9840 -7.6615 -7.6492 -4.5124 -4.4978
-3.3061 -3.2427 -2.2609 -2.2387 -1.9580 -1.8005 -1.5099 -1.4614
-1.1699 -1.0528 -0.8603 -0.7391 -0.4375 -0.3164 0.0575 0.2333
0.3229 0.4271 0.7178 0.8299 1.1949 1.2774 1.4299 1.4539
1.6780 1.7820 2.1163 2.1593 2.4113 2.4537 2.8555 2.9425
3.0722 3.1099 3.3473 3.3878 3.7743 3.8014 4.4246 4.4315
4.7052 4.7150 6.5589 6.5871 8.7248 8.8099 10.7285 10.7634
11.5119 11.6594 12.3557 12.6212 12.9627 13.0571
k = 0.0000 0.0000 0.3201 ( 4268 PWs) bands (ev):
-22.4883 -22.4882 -21.5737 -21.5735 -20.3469 -20.3468 -15.0534 -15.0516
-13.7057 -13.7000 -11.9876 -11.9802 -7.6449 -7.6332 -4.5135 -4.4994
-3.3315 -3.2734 -2.2536 -2.2329 -1.9484 -1.8062 -1.5201 -1.4749
-1.1620 -1.0553 -0.8567 -0.7422 -0.4331 -0.3152 0.0725 0.2416
0.3432 0.4494 0.7458 0.8461 1.1866 1.2661 1.4252 1.4534
1.6659 1.7630 2.1143 2.1576 2.3986 2.4405 2.8453 2.9299
3.0672 3.1015 3.3449 3.3837 3.7739 3.7991 4.4308 4.4377
4.6993 4.7091 6.6010 6.6293 8.6804 8.7612 10.7512 10.7829
11.5430 11.6920 12.3366 12.6072 12.9636 13.0603
k = 0.0000 0.0000 0.3353 ( 4273 PWs) bands (ev):
-22.4881 -22.4880 -21.5738 -21.5737 -20.3468 -20.3467 -15.0507 -15.0490
-13.7147 -13.7095 -11.9836 -11.9768 -7.6291 -7.6181 -4.5144 -4.5011
-3.3548 -3.3022 -2.2466 -2.2274 -1.9386 -1.8115 -1.5307 -1.4884
-1.1540 -1.0578 -0.8524 -0.7459 -0.4281 -0.3152 0.0873 0.2461
0.3665 0.4705 0.7719 0.8611 1.1804 1.2559 1.4202 1.4524
1.6546 1.7441 2.1118 2.1547 2.3870 2.4278 2.8357 2.9162
3.0638 3.0945 3.3433 3.3799 3.7737 3.7968 4.4368 4.4437
4.6935 4.7033 6.6419 6.6699 8.6382 8.7140 10.7722 10.8008
11.5745 11.7243 12.3155 12.5851 12.9677 13.0697
k = 0.0000 0.0000 0.3505 ( 4272 PWs) bands (ev):
-22.4879 -22.4878 -21.5739 -21.5738 -20.3467 -20.3467 -15.0482 -15.0466
-13.7230 -13.7182 -11.9799 -11.9737 -7.6143 -7.6041 -4.5152 -4.5028
-3.3760 -3.3289 -2.2398 -2.2224 -1.9286 -1.8163 -1.5412 -1.5017
-1.1462 -1.0605 -0.8476 -0.7501 -0.4227 -0.3165 0.1019 0.2478
0.3913 0.4899 0.7955 0.8742 1.1770 1.2474 1.4152 1.4505
1.6445 1.7257 2.1088 2.1505 2.3769 2.4158 2.8270 2.9020
3.0618 3.0888 3.3423 3.3762 3.7737 3.7946 4.4426 4.4493
4.6881 4.6975 6.6812 6.7084 8.5987 8.6688 10.7915 10.8168
11.6064 11.7557 12.2935 12.5562 12.9762 13.0817
k = 0.0000 0.0000 0.3658 ( 4273 PWs) bands (ev):
-22.4877 -22.4876 -21.5740 -21.5739 -20.3467 -20.3466 -15.0459 -15.0444
-13.7304 -13.7262 -11.9765 -11.9709 -7.6007 -7.5915 -4.5158 -4.5045
-3.3948 -3.3534 -2.2336 -2.2179 -1.9186 -1.8208 -1.5513 -1.5148
-1.1385 -1.0634 -0.8423 -0.7547 -0.4167 -0.3191 0.1163 0.2476
0.4164 0.5073 0.8161 0.8847 1.1770 1.2411 1.4102 1.4475
1.6356 1.7079 2.1055 2.1450 2.3684 2.4046 2.8194 2.8875
3.0610 3.0843 3.3420 3.3726 3.7739 3.7924 4.4481 4.4544
4.6830 4.6919 6.7183 6.7440 8.5625 8.6261 10.8088 10.8309
11.6386 11.7856 12.2718 12.5224 12.9887 13.0939
k = 0.0000 0.0000 0.3810 ( 4269 PWs) bands (ev):
-22.4875 -22.4875 -21.5740 -21.5739 -20.3466 -20.3465 -15.0438 -15.0425
-13.7370 -13.7333 -11.9734 -11.9686 -7.5884 -7.5803 -4.5163 -4.5061
-3.4110 -3.3753 -2.2277 -2.2140 -1.9086 -1.8250 -1.5604 -1.5274
-1.1309 -1.0665 -0.8365 -0.7597 -0.4102 -0.3229 0.1305 0.2458
0.4408 0.5224 0.8335 0.8921 1.1806 1.2372 1.4052 1.4431
1.6281 1.6912 2.1022 2.1385 2.3619 2.3946 2.8131 2.8733
3.0611 3.0807 3.3421 3.3692 3.7743 3.7904 4.4532 4.4591
4.6785 4.6867 6.7526 6.7764 8.5301 8.5866 10.8242 10.8431
11.6708 11.8130 12.2519 12.4854 13.0039 13.1044
k = 0.0000 0.0000 0.3963 ( 4266 PWs) bands (ev):
-22.4874 -22.4873 -21.5741 -21.5740 -20.3465 -20.3465 -15.0420 -15.0408
-13.7426 -13.7395 -11.9707 -11.9666 -7.5776 -7.5707 -4.5165 -4.5078
-3.4245 -3.3947 -2.2225 -2.2108 -1.8987 -1.8292 -1.5683 -1.5393
-1.1237 -1.0700 -0.8303 -0.7652 -0.4031 -0.3278 0.1444 0.2425
0.4641 0.5349 0.8476 0.8963 1.1875 1.2356 1.4005 1.4372
1.6223 1.6757 2.0991 2.1312 2.3572 2.3856 2.8084 2.8598
3.0619 3.0780 3.3427 3.3658 3.7748 3.7884 4.4578 4.4631
4.6745 4.6818 6.7835 6.8047 8.5022 8.5508 10.8375 10.8532
11.7028 11.8364 12.2357 12.4468 13.0208 13.1123
k = 0.0000 0.0000 0.4115 ( 4265 PWs) bands (ev):
-22.4873 -22.4872 -21.5741 -21.5740 -20.3465 -20.3464 -15.0404 -15.0395
-13.7473 -13.7447 -11.9684 -11.9651 -7.5684 -7.5628 -4.5165 -4.5093
-3.4351 -3.4112 -2.2178 -2.2083 -1.8891 -1.8335 -1.5746 -1.5502
-1.1167 -1.0737 -0.8238 -0.7710 -0.3957 -0.3337 0.1579 0.2378
0.4857 0.5442 0.8586 0.8975 1.1969 1.2359 1.3963 1.4298
1.6184 1.6618 2.0966 2.1236 2.3543 2.3778 2.8053 2.8472
3.0630 3.0757 3.3437 3.3626 3.7756 3.7865 4.4619 4.4664
4.6712 4.6774 6.8105 6.8284 8.4794 8.5194 10.8486 10.8612
11.7341 11.8538 12.2252 12.4076 13.0383 13.1168
k = 0.0000 0.0000 0.4267 ( 4267 PWs) bands (ev):
-22.4872 -22.4872 -21.5741 -21.5741 -20.3464 -20.3464 -15.0391 -15.0384
-13.7508 -13.7489 -11.9665 -11.9640 -7.5610 -7.5567 -4.5163 -4.5108
-3.4429 -3.4249 -2.2139 -2.2067 -1.8799 -1.8381 -1.5790 -1.5599
-1.1101 -1.0778 -0.8172 -0.7771 -0.3879 -0.3404 0.1710 0.2317
0.5050 0.5502 0.8672 0.8963 1.2077 1.2373 1.3932 1.4213
1.6166 1.6495 2.0950 2.1160 2.3531 2.3711 2.8041 2.8359
3.0645 3.0739 3.3450 3.3594 3.7764 3.7847 4.4654 4.4689
4.6688 4.6736 6.8328 6.8469 8.4622 8.4929 10.8577 10.8671
11.7644 11.8635 12.2226 12.3690 13.0554 13.1175
k = 0.0000 0.0000 0.4420 ( 4263 PWs) bands (ev):
-22.4871 -22.4871 -21.5741 -21.5741 -20.3464 -20.3464 -15.0382 -15.0377
-13.7533 -13.7520 -11.9650 -11.9633 -7.5554 -7.5526 -4.5159 -4.5121
-3.4476 -3.4356 -2.2106 -2.2058 -1.8712 -1.8433 -1.5812 -1.5681
-1.1038 -1.0822 -0.8104 -0.7835 -0.3798 -0.3477 0.1834 0.2243
0.5215 0.5523 0.8741 0.8934 1.2184 1.2383 1.3920 1.4124
1.6169 1.6391 2.0947 2.1091 2.3533 2.3655 2.8047 2.8261
3.0660 3.0722 3.3467 3.3564 3.7775 3.7830 4.4681 4.4706
4.6672 4.6706 6.8501 6.8598 8.4512 8.4720 10.8646 10.8709
11.7928 11.8642 12.2292 12.3322 13.0716 13.1146
k = 0.0000 0.0000 0.4572 ( 4262 PWs) bands (ev):
-22.4871 -22.4871 -21.5741 -21.5741 -20.3464 -20.3463 -15.0375 -15.0373
-13.7547 -13.7540 -11.9640 -11.9631 -7.5518 -7.5503 -4.5152 -4.5133
-3.4492 -3.4432 -2.2082 -2.2058 -1.8631 -1.8492 -1.5812 -1.5746
-1.0978 -1.0870 -0.8036 -0.7900 -0.3716 -0.3554 0.1951 0.2157
0.5349 0.5505 0.8798 0.8894 1.2275 1.2376 1.3932 1.4041
1.6194 1.6306 2.0960 2.1033 2.3547 2.3609 2.8072 2.8180
3.0676 3.0707 3.3488 3.3537 3.7787 3.7814 4.4701 4.4713
4.6667 4.6683 6.8616 6.8666 8.4465 8.4570 10.8694 10.8725
11.8185 11.8560 12.2449 12.2982 13.0862 13.1081
k = 0.0000 0.0000 0.4725 ( 4264 PWs) bands (ev):
-22.4871 -22.4871 -21.5741 -21.5741 -20.3463 -20.3463 -15.0372 -15.0372
-13.7549 -13.7549 -11.9633 -11.9633 -7.5501 -7.5501 -4.5144 -4.5144
-3.4478 -3.4478 -2.2066 -2.2066 -1.8558 -1.8558 -1.5790 -1.5790
-1.0922 -1.0922 -0.7968 -0.7968 -0.3635 -0.3635 0.2059 0.2059
0.5447 0.5447 0.8848 0.8848 1.2341 1.2341 1.3974 1.3974
1.6240 1.6240 2.0988 2.0988 2.3573 2.3573 2.8117 2.8117
3.0692 3.0692 3.3511 3.3511 3.7800 3.7800 4.4712 4.4712
4.6670 4.6670 6.8672 6.8672 8.4485 8.4485 10.8720 10.8720
11.8401 11.8401 12.2685 12.2685 13.0985 13.0985
k = 0.5000-0.2454 0.4381 ( 4282 PWs) bands (ev):
-22.4727 -22.4727 -21.5725 -21.5725 -20.3505 -20.3505 -15.1110 -15.1110
-13.6230 -13.6230 -12.1170 -12.1170 -7.7150 -7.7150 -4.5007 -4.5007
-2.4401 -2.4401 -2.2179 -2.2179 -1.7368 -1.7368 -1.3878 -1.3878
-1.1712 -1.1712 -0.9260 -0.9260 -0.4398 -0.4398 -0.1324 -0.1324
0.2214 0.2214 0.4961 0.4961 1.1089 1.1089 1.5310 1.5310
1.8829 1.8829 2.0478 2.0478 2.3456 2.3456 2.7292 2.7292
2.8217 2.8217 3.3414 3.3414 3.9055 3.9055 4.4196 4.4196
4.7217 4.7217 7.2925 7.2925 9.0426 9.0426 10.1220 10.1220
11.5528 11.5528 12.1676 12.1676 13.2477 13.2477
k = 0.4894-0.2402 0.4288 ( 4281 PWs) bands (ev):
-22.4727 -22.4727 -21.5725 -21.5725 -20.3505 -20.3505 -15.1109 -15.1106
-13.6242 -13.6233 -12.1169 -12.1160 -7.7147 -7.7139 -4.5034 -4.4979
-2.4504 -2.4369 -2.2280 -2.2116 -1.7624 -1.7153 -1.4122 -1.3604
-1.1820 -1.1569 -0.9400 -0.9102 -0.4597 -0.4170 -0.1416 -0.1195
0.2211 0.2247 0.4918 0.5007 1.1059 1.1118 1.5289 1.5327
1.8763 1.8847 2.0425 2.0558 2.3417 2.3498 2.7226 2.7343
2.8170 2.8273 3.3401 3.3427 3.9032 3.9080 4.4195 4.4207
4.7195 4.7226 7.2914 7.2939 9.0368 9.0418 10.1191 10.1263
11.5458 11.5623 12.1619 12.1766 13.2367 13.2575
k = 0.4787-0.2349 0.4195 ( 4283 PWs) bands (ev):
-22.4728 -22.4727 -21.5725 -21.5725 -20.3505 -20.3505 -15.1102 -15.1096
-13.6269 -13.6250 -12.1158 -12.1140 -7.7130 -7.7114 -4.5061 -4.4951
-2.4680 -2.4412 -2.2406 -2.2098 -1.7889 -1.7016 -1.4291 -1.3340
-1.1898 -1.1389 -0.9520 -0.8930 -0.4757 -0.3927 -0.1467 -0.1033
0.2238 0.2309 0.4877 0.5056 1.1027 1.1145 1.5263 1.5339
1.8658 1.8809 2.0404 2.0653 2.3381 2.3542 2.7150 2.7372
2.8139 2.8332 3.3388 3.3440 3.9010 3.9105 4.4203 4.4227
4.7159 4.7222 7.2906 7.2955 9.0247 9.0345 10.1176 10.1321
11.5412 11.5737 12.1596 12.1888 13.2248 13.2661
k = 0.4681-0.2297 0.4101 ( 4287 PWs) bands (ev):
-22.4729 -22.4729 -21.5726 -21.5725 -20.3506 -20.3505 -15.1090 -15.1080
-13.6309 -13.6281 -12.1136 -12.1109 -7.7100 -7.7076 -4.5086 -4.4922
-2.4934 -2.4538 -2.2537 -2.2124 -1.8137 -1.6980 -1.4354 -1.3114
-1.1950 -1.1179 -0.9613 -0.8748 -0.4874 -0.3686 -0.1470 -0.0840
0.2298 0.2403 0.4838 0.5111 1.0994 1.1170 1.5232 1.5348
1.8526 1.8718 2.0417 2.0756 2.3348 2.3588 2.7067 2.7374
2.8131 2.8393 3.3376 3.3453 3.8989 3.9130 4.4221 4.4257
4.7110 4.7205 7.2901 7.2973 9.0065 9.0208 10.1177 10.1393
11.5388 11.5866 12.1609 12.2042 13.2122 13.2733
k = 0.4574-0.2245 0.4008 ( 4292 PWs) bands (ev):
-22.4731 -22.4730 -21.5726 -21.5725 -20.3506 -20.3505 -15.1072 -15.1059
-13.6361 -13.6325 -12.1104 -12.1069 -7.7056 -7.7025 -4.5111 -4.4893
-2.5271 -2.4757 -2.2656 -2.2184 -1.8355 -1.7038 -1.4317 -1.2932
-1.1980 -1.0958 -0.9674 -0.8561 -0.4944 -0.3469 -0.1418 -0.0616
0.2394 0.2530 0.4805 0.5175 1.0959 1.1194 1.5195 1.5352
1.8374 1.8583 2.0456 2.0858 2.3317 2.3632 2.6979 2.7346
2.8150 2.8454 3.3364 3.3465 3.8969 3.9155 4.4249 4.4296
4.7049 4.7175 7.2899 7.2992 8.9830 9.0012 10.1192 10.1479
11.5383 11.6002 12.1657 12.2226 13.1991 13.2790
k = 0.4468-0.2193 0.3915 ( 4293 PWs) bands (ev):
-22.4733 -22.4732 -21.5726 -21.5726 -20.3506 -20.3505 -15.1050 -15.1033
-13.6426 -13.6382 -12.1062 -12.1020 -7.7000 -7.6962 -4.5133 -4.4863
-2.5689 -2.5072 -2.2753 -2.2268 -1.8536 -1.7156 -1.4215 -1.2787
-1.1994 -1.0752 -0.9693 -0.8375 -0.4967 -0.3292 -0.1310 -0.0364
0.2529 0.2693 0.4778 0.5254 1.0922 1.1217 1.5150 1.5351
1.8211 1.8415 2.0511 2.0955 2.3287 2.3674 2.6886 2.7291
2.8194 2.8515 3.3352 3.3477 3.8949 3.9180 4.4285 4.4343
4.6976 4.7132 7.2898 7.3010 8.9548 8.9762 10.1222 10.1578
11.5391 11.6136 12.1743 12.2441 13.1859 13.2832
k = 0.4362-0.2141 0.3822 ( 4291 PWs) bands (ev):
-22.4734 -22.4734 -21.5726 -21.5725 -20.3505 -20.3504 -15.1022 -15.1002
-13.6500 -13.6450 -12.1012 -12.0964 -7.6933 -7.6889 -4.5154 -4.4833
-2.6180 -2.5477 -2.2826 -2.2360 -1.8680 -1.7297 -1.4089 -1.2667
-1.1995 -1.0584 -0.9665 -0.8195 -0.4947 -0.3163 -0.1158 -0.0090
0.2704 0.2894 0.4762 0.5357 1.0885 1.1239 1.5096 1.5343
1.8040 1.8228 2.0576 2.1044 2.3258 2.3711 2.6792 2.7216
2.8258 2.8577 3.3340 3.3487 3.8930 3.9202 4.4331 4.4398
4.6891 4.7076 7.2897 7.3025 8.9227 8.9467 10.1265 10.1691
11.5407 11.6259 12.1865 12.2685 13.1729 13.2859
k = 0.4255-0.2088 0.3729 ( 4287 PWs) bands (ev):
-22.4737 -22.4736 -21.5725 -21.5724 -20.3505 -20.3503 -15.0990 -15.0968
-13.6584 -13.6527 -12.0954 -12.0901 -7.6855 -7.6806 -4.5173 -4.4802
-2.6731 -2.5960 -2.2881 -2.2452 -1.8794 -1.7440 -1.3970 -1.2562
-1.1987 -1.0459 -0.9592 -0.8027 -0.4889 -0.3075 -0.0980 0.0195
0.2915 0.3132 0.4765 0.5498 1.0846 1.1261 1.5033 1.5327
1.7867 1.8030 2.0643 2.1125 2.3227 2.3741 2.6696 2.7127
2.8337 2.8641 3.3328 3.3496 3.8911 3.9222 4.4385 4.4462
4.6796 4.7010 7.2895 7.3035 8.8875 8.9135 10.1322 10.1816
11.5423 11.6364 12.2022 12.2954 13.1605 13.2873
k = 0.4149-0.2036 0.3635 ( 4289 PWs) bands (ev):
-22.4740 -22.4739 -21.5726 -21.5724 -20.3505 -20.3503 -15.0953 -15.0929
-13.6674 -13.6613 -12.0890 -12.0832 -7.6769 -7.6716 -4.5188 -4.4770
-2.7329 -2.6505 -2.2923 -2.2537 -1.8883 -1.7570 -1.3871 -1.2465
-1.1974 -1.0366 -0.9492 -0.7873 -0.4803 -0.3018 -0.0799 0.0474
0.3138 0.3412 0.4800 0.5699 1.0806 1.1283 1.4958 1.5300
1.7694 1.7833 2.0710 2.1196 2.3193 2.3760 2.6600 2.7033
2.8427 2.8707 3.3315 3.3504 3.8890 3.9238 4.4448 4.4532
4.6691 4.6932 7.2890 7.3037 8.8502 8.8776 10.1391 10.1954
11.5433 11.6444 12.2207 12.3244 13.1492 13.2876
k = 0.4043-0.1984 0.3542 ( 4292 PWs) bands (ev):
-22.4743 -22.4742 -21.5726 -21.5725 -20.3505 -20.3503 -15.0914 -15.0887
-13.6769 -13.6705 -12.0821 -12.0760 -7.6675 -7.6620 -4.5201 -4.4738
-2.7957 -2.7096 -2.2958 -2.2614 -1.8954 -1.7684 -1.3798 -1.2377
-1.1956 -1.0285 -0.9383 -0.7733 -0.4698 -0.2979 -0.0626 0.0730
0.3333 0.3728 0.4890 0.5982 1.0765 1.1307 1.4871 1.5262
1.7523 1.7645 2.0775 2.1258 2.3153 2.3766 2.6505 2.6936
2.8524 2.8776 3.3303 3.3511 3.8869 3.9250 4.4517 4.4608
4.6578 4.6845 7.2878 7.3027 8.8116 8.8399 10.1473 10.2105
11.5434 11.6497 12.2413 12.3551 13.1395 13.2870
k = 0.3936-0.1932 0.3449 ( 4292 PWs) bands (ev):
-22.4747 -22.4746 -21.5726 -21.5725 -20.3505 -20.3502 -15.0871 -15.0843
-13.6868 -13.6801 -12.0748 -12.0684 -7.6577 -7.6520 -4.5210 -4.4705
-2.8602 -2.7716 -2.2989 -2.2680 -1.9012 -1.7781 -1.3748 -1.2301
-1.1935 -1.0203 -0.9280 -0.7605 -0.4586 -0.2949 -0.0468 0.0955
0.3475 0.4032 0.5084 0.6363 1.0724 1.1334 1.4772 1.5208
1.7353 1.7477 2.0835 2.1310 2.3107 2.3757 2.6414 2.6842
2.8626 2.8851 3.3292 3.3519 3.8846 3.9257 4.4592 4.4688
4.6458 4.6750 7.2857 7.3002 8.7727 8.8016 10.1566 10.2268
11.5419 11.6520 12.2630 12.3866 13.1319 13.2862
k = 0.3830-0.1880 0.3356 ( 4290 PWs) bands (ev):
-22.4751 -22.4750 -21.5726 -21.5724 -20.3504 -20.3501 -15.0827 -15.0797
-13.6968 -13.6899 -12.0672 -12.0608 -7.6475 -7.6418 -4.5214 -4.4671
-2.9253 -2.8352 -2.3019 -2.2737 -1.9061 -1.7861 -1.3717 -1.2242
-1.1908 -1.0113 -0.9189 -0.7486 -0.4471 -0.2924 -0.0326 0.1145
0.3561 0.4253 0.5428 0.6844 1.0682 1.1366 1.4663 1.5137
1.7186 1.7334 2.0890 2.1353 2.3054 2.3732 2.6327 2.6754
2.8732 2.8930 3.3282 3.3527 3.8821 3.9258 4.4671 4.4771
4.6334 4.6649 7.2823 7.2957 8.7342 8.7639 10.1670 10.2443
11.5387 11.6516 12.2849 12.4182 13.1269 13.2854
k = 0.3723-0.1827 0.3262 ( 4289 PWs) bands (ev):
-22.4756 -22.4754 -21.5726 -21.5724 -20.3503 -20.3501 -15.0781 -15.0750
-13.7067 -13.6998 -12.0594 -12.0530 -7.6372 -7.6316 -4.5213 -4.4636
-2.9900 -2.8992 -2.3049 -2.2787 -1.9105 -1.7927 -1.3700 -1.2203
-1.1874 -1.0014 -0.9112 -0.7375 -0.4361 -0.2899 -0.0197 0.1303
0.3602 0.4383 0.5901 0.7412 1.0641 1.1405 1.4545 1.5050
1.7030 1.7216 2.0940 2.1387 2.2992 2.3691 2.6246 2.6675
2.8840 2.9017 3.3275 3.3537 3.8794 3.9252 4.4751 4.4853
4.6207 4.6545 7.2771 7.2887 8.6968 8.7278 10.1785 10.2629
11.5335 11.6485 12.3058 12.4489 13.1250 13.2854
k = 0.3617-0.1775 0.3169 ( 4284 PWs) bands (ev):
-22.4760 -22.4758 -21.5725 -21.5723 -20.3503 -20.3500 -15.0734 -15.0703
-13.7162 -13.7095 -12.0517 -12.0454 -7.6271 -7.6217 -4.5207 -4.4601
-3.0532 -2.9625 -2.3080 -2.2829 -1.9146 -1.7979 -1.3691 -1.2181
-1.1835 -0.9909 -0.9050 -0.7269 -0.4257 -0.2875 -0.0079 0.1434
0.3611 0.4458 0.6436 0.8046 1.0602 1.1454 1.4426 1.4946
1.6886 1.7121 2.0983 2.1411 2.2922 2.3635 2.6172 2.6608
2.8949 2.9110 3.3272 3.3550 3.8764 3.9239 4.4828 4.4931
4.6084 4.6441 7.2696 7.2788 8.6614 8.6947 10.1910 10.2826
11.5263 11.6431 12.3250 12.4780 13.1264 13.2864
k = 0.3511-0.1723 0.3076 ( 4284 PWs) bands (ev):
-22.4765 -22.4763 -21.5725 -21.5723 -20.3502 -20.3499 -15.0688 -15.0657
-13.7254 -13.7188 -12.0440 -12.0379 -7.6174 -7.6124 -4.5195 -4.4566
-3.1142 -3.0243 -2.3112 -2.2866 -1.9185 -1.8020 -1.3689 -1.2171
-1.1795 -0.9801 -0.9002 -0.7170 -0.4160 -0.2852 0.0030 0.1542
0.3600 0.4504 0.6978 0.8719 1.0571 1.1513 1.4314 1.4831
1.6757 1.7050 2.1019 2.1426 2.2846 2.3565 2.6107 2.6553
2.9058 2.9209 3.3274 3.3567 3.8731 3.9219 4.4896 4.4999
4.5971 4.6343 7.2594 7.2655 8.6285 8.6656 10.2044 10.3032
11.5169 11.6355 12.3417 12.5045 13.1313 13.2888
k = 0.3404-0.1671 0.2983 ( 4282 PWs) bands (ev):
-22.4770 -22.4768 -21.5724 -21.5722 -20.3501 -20.3498 -15.0643 -15.0611
-13.7338 -13.7276 -12.0365 -12.0307 -7.6083 -7.6038 -4.5176 -4.4531
-3.1722 -3.0839 -2.3145 -2.2899 -1.9224 -1.8052 -1.3689 -1.2170
-1.1754 -0.9694 -0.8966 -0.7077 -0.4070 -0.2830 0.0133 0.1629
0.3578 0.4533 0.7486 0.9389 1.0567 1.1585 1.4222 1.4712
1.6639 1.7002 2.1048 2.1429 2.2766 2.3487 2.6052 2.6511
2.9166 2.9315 3.3282 3.3590 3.8696 3.9191 4.4943 4.5050
4.5880 4.6257 7.2454 7.2488 8.5991 8.6413 10.2186 10.3246
11.5055 11.6262 12.3557 12.5280 13.1393 13.2927
k = 0.3298-0.1619 0.2890 ( 4277 PWs) bands (ev):
-22.4776 -22.4774 -21.5723 -21.5721 -20.3501 -20.3497 -15.0599 -15.0568
-13.7414 -13.7356 -12.0294 -12.0239 -7.6002 -7.5961 -4.5150 -4.4497
-3.2266 -3.1404 -2.3179 -2.2929 -1.9263 -1.8075 -1.3690 -1.2174
-1.1716 -0.9590 -0.8940 -0.6989 -0.3984 -0.2810 0.0230 0.1699
0.3551 0.4553 0.7932 0.9928 1.0691 1.1666 1.4166 1.4601
1.6532 1.6978 2.1069 2.1419 2.2688 2.3404 2.6008 2.6483
2.9275 2.9424 3.3297 3.3619 3.8658 3.9156 4.4955 4.5075
4.5824 4.6195 7.2257 7.2301 8.5737 8.6224 10.2335 10.3469
11.4920 11.6153 12.3668 12.5481 13.1502 13.2980
k = 0.3191-0.1566 0.2796 ( 4282 PWs) bands (ev):
-22.4782 -22.4780 -21.5723 -21.5721 -20.3500 -20.3497 -15.0559 -15.0528
-13.7479 -13.7427 -12.0226 -12.0176 -7.5932 -7.5897 -4.5118 -4.4464
-3.2768 -3.1935 -2.3212 -2.2957 -1.9304 -1.8091 -1.3692 -1.2181
-1.1681 -0.9494 -0.8925 -0.6907 -0.3902 -0.2795 0.0322 0.1752
0.3523 0.4567 0.8294 1.0111 1.1118 1.1762 1.4161 1.4519
1.6431 1.6980 2.1080 2.1394 2.2617 2.3322 2.5978 2.6468
2.9384 2.9537 3.3321 3.3654 3.8617 3.9114 4.4922 4.5065
4.5815 4.6164 7.2001 7.2086 8.5532 8.6093 10.2489 10.3696
11.4766 11.6030 12.3751 12.5649 13.1630 13.3043
k = 0.3085-0.1514 0.2703 ( 4282 PWs) bands (ev):
-22.4788 -22.4786 -21.5723 -21.5721 -20.3500 -20.3496 -15.0521 -15.0492
-13.7533 -13.7487 -12.0164 -12.0117 -7.5878 -7.5846 -4.5079 -4.4434
-3.3221 -3.2425 -2.3246 -2.2983 -1.9346 -1.8101 -1.3692 -1.2189
-1.1648 -0.9407 -0.8919 -0.6832 -0.3823 -0.2785 0.0407 0.1791
0.3498 0.4577 0.8564 1.0087 1.1541 1.1971 1.4214 1.4506
1.6338 1.7012 2.1081 2.1353 2.2560 2.3247 2.5962 2.6467
2.9494 2.9651 3.3353 3.3697 3.8575 3.9066 4.4843 4.5020
4.5849 4.6169 7.1698 7.1831 8.5380 8.6023 10.2648 10.3928
11.4596 11.5898 12.3813 12.5785 13.1768 13.3111
k = 0.2979-0.1462 0.2610 ( 4283 PWs) bands (ev):
-22.4795 -22.4792 -21.5723 -21.5721 -20.3499 -20.3496 -15.0488 -15.0461
-13.7574 -13.7534 -12.0108 -12.0064 -7.5842 -7.5809 -4.5034 -4.4407
-3.3621 -3.2870 -2.3278 -2.3008 -1.9391 -1.8106 -1.3690 -1.2197
-1.1619 -0.9332 -0.8919 -0.6762 -0.3745 -0.2781 0.0484 0.1817
0.3478 0.4585 0.8740 0.9998 1.1655 1.2374 1.4328 1.4611
1.6251 1.7080 2.1073 2.1295 2.2521 2.3186 2.5961 2.6479
2.9605 2.9767 3.3393 3.3747 3.8531 3.9012 4.4734 4.4941
4.5915 4.6206 7.1351 7.1532 8.5286 8.6015 10.2810 10.4162
11.4410 11.5756 12.3857 12.5896 13.1903 13.3175
k = 0.2872-0.1410 0.2517 ( 4282 PWs) bands (ev):
-22.4801 -22.4799 -21.5723 -21.5720 -20.3498 -20.3495 -15.0460 -15.0434
-13.7600 -13.7568 -12.0059 -12.0017 -7.5826 -7.5789 -4.4983 -4.4386
-3.3963 -3.3264 -2.3310 -2.3032 -1.9437 -1.8106 -1.3687 -1.2205
-1.1593 -0.9272 -0.8924 -0.6699 -0.3670 -0.2781 0.0550 0.1830
0.3465 0.4591 0.8827 0.9873 1.1653 1.2668 1.4519 1.4864
1.6176 1.7192 2.1055 2.1224 2.2503 2.3146 2.5977 2.6506
2.9718 2.9883 3.3442 3.3805 3.8487 3.8953 4.4608 4.4837
4.6000 4.6267 7.0962 7.1188 8.5251 8.6065 10.2971 10.4396
11.4212 11.5609 12.3890 12.5987 13.2022 13.3228
k = 0.2766-0.1357 0.2424 ( 4282 PWs) bands (ev):
-22.4807 -22.4805 -21.5723 -21.5720 -20.3498 -20.3494 -15.0437 -15.0413
-13.7612 -13.7588 -12.0017 -11.9976 -7.5831 -7.5785 -4.4928 -4.4370
-3.4244 -3.3604 -2.3341 -2.3055 -1.9486 -1.8102 -1.3681 -1.2213
-1.1570 -0.9231 -0.8929 -0.6642 -0.3598 -0.2786 0.0602 0.1832
0.3460 0.4596 0.8827 0.9723 1.1616 1.2772 1.4725 1.5262
1.6137 1.7355 2.1027 2.1147 2.2504 2.3135 2.6011 2.6548
2.9831 3.0000 3.3499 3.3869 3.8443 3.8891 4.4473 4.4716
4.6097 4.6345 7.0535 7.0802 8.5274 8.6173 10.3131 10.4627
11.4004 11.5457 12.3919 12.6067 13.2113 13.3263
k = 0.2660-0.1305 0.2330 ( 4281 PWs) bands (ev):
-22.4813 -22.4811 -21.5722 -21.5720 -20.3497 -20.3493 -15.0421 -15.0397
-13.7608 -13.7593 -11.9983 -11.9941 -7.5858 -7.5802 -4.4871 -4.4361
-3.4460 -3.3885 -2.3370 -2.3077 -1.9536 -1.8095 -1.3673 -1.2221
-1.1552 -0.9213 -0.8927 -0.6591 -0.3530 -0.2793 0.0637 0.1825
0.3465 0.4600 0.8738 0.9558 1.1566 1.2757 1.4890 1.5630
1.6250 1.7568 2.0987 2.1072 2.2519 2.3161 2.6063 2.6607
2.9945 3.0118 3.3561 3.3938 3.8401 3.8825 4.4335 4.4585
4.6199 4.6433 7.0074 7.0376 8.5356 8.6334 10.3286 10.4851
11.3789 11.5302 12.3947 12.6142 13.2163 13.3270
k = 0.2553-0.1253 0.2237 ( 4281 PWs) bands (ev):
-22.4820 -22.4817 -21.5721 -21.5719 -20.3496 -20.3492 -15.0410 -15.0388
-13.7588 -13.7581 -11.9958 -11.9913 -7.5906 -7.5838 -4.4812 -4.4360
-3.4612 -3.4103 -2.3399 -2.3099 -1.9589 -1.8085 -1.3664 -1.2229
-1.1539 -0.9222 -0.8915 -0.6546 -0.3470 -0.2801 0.0651 0.1811
0.3477 0.4602 0.8562 0.9385 1.1514 1.2690 1.5003 1.5720
1.6680 1.7823 2.0930 2.1015 2.2545 2.3229 2.6136 2.6685
3.0059 3.0239 3.3629 3.4011 3.8360 3.8758 4.4200 4.4449
4.6304 4.6526 6.9583 6.9914 8.5492 8.6545 10.3433 10.5067
11.3570 11.5146 12.3982 12.6218 13.2161 13.3244
k = 0.2447-0.1201 0.2144 ( 4275 PWs) bands (ev):
-22.4826 -22.4823 -21.5720 -21.5718 -20.3495 -20.3491 -15.0406 -15.0384
-13.7555 -13.7551 -11.9941 -11.9892 -7.5977 -7.5896 -4.4755 -4.4367
-3.4699 -3.4252 -2.3426 -2.3120 -1.9643 -1.8071 -1.3652 -1.2238
-1.1531 -0.9253 -0.8895 -0.6507 -0.3419 -0.2806 0.0642 0.1791
0.3496 0.4602 0.8306 0.9197 1.1467 1.2614 1.5069 1.5684
1.7220 1.8108 2.0864 2.0977 2.2581 2.3340 2.6230 2.6783
3.0174 3.0362 3.3700 3.4086 3.8322 3.8690 4.4068 4.4313
4.6410 4.6621 6.9067 6.9422 8.5681 8.6802 10.3571 10.5269
11.3350 11.4991 12.4027 12.6302 13.2100 13.3179
k = 0.2340-0.1149 0.2051 ( 4275 PWs) bands (ev):
-22.4833 -22.4830 -21.5720 -21.5717 -20.3494 -20.3490 -15.0409 -15.0387
-13.7512 -13.7499 -11.9933 -11.9878 -7.6068 -7.5975 -4.4701 -4.4383
-3.4726 -3.4328 -2.3451 -2.3140 -1.9700 -1.8055 -1.3638 -1.2248
-1.1531 -0.9300 -0.8870 -0.6474 -0.3381 -0.2806 0.0607 0.1766
0.3518 0.4598 0.7990 0.8982 1.1429 1.2549 1.5099 1.5623
1.7728 1.8415 2.0801 2.0950 2.2632 2.3489 2.6347 2.6903
3.0289 3.0489 3.3772 3.4161 3.8288 3.8624 4.3943 4.4178
4.6515 4.6717 6.8531 6.8903 8.5917 8.7100 10.3694 10.5454
11.3133 11.4837 12.4086 12.6398 13.1976 13.3069
k = 0.2234-0.1096 0.1957 ( 4272 PWs) bands (ev):
-22.4839 -22.4836 -21.5718 -21.5715 -20.3493 -20.3489 -15.0417 -15.0396
-13.7454 -13.7432 -11.9932 -11.9871 -7.6179 -7.6075 -4.4652 -4.4406
-3.4697 -3.4326 -2.3475 -2.3159 -1.9757 -1.8036 -1.3623 -1.2259
-1.1539 -0.9358 -0.8844 -0.6446 -0.3358 -0.2801 0.0549 0.1736
0.3539 0.4590 0.7633 0.8727 1.1405 1.2506 1.5102 1.5557
1.8150 1.8744 2.0750 2.0932 2.2705 2.3667 2.6487 2.7049
3.0403 3.0620 3.3845 3.4235 3.8258 3.8561 4.3826 4.4047
4.6618 4.6812 6.7981 6.8363 8.6196 8.7434 10.3802 10.5618
11.2923 11.4685 12.4161 12.6510 13.1787 13.2913
k = 0.2128-0.1044 0.1864 ( 4276 PWs) bands (ev):
-22.4846 -22.4843 -21.5718 -21.5715 -20.3492 -20.3489 -15.0432 -15.0410
-13.7380 -13.7351 -11.9939 -11.9872 -7.6309 -7.6194 -4.4612 -4.4435
-3.4617 -3.4241 -2.3498 -2.3178 -1.9816 -1.8014 -1.3606 -1.2274
-1.1558 -0.9421 -0.8819 -0.6424 -0.3348 -0.2790 0.0466 0.1700
0.3551 0.4576 0.7253 0.8428 1.1400 1.2489 1.5087 1.5492
1.8470 1.9081 2.0712 2.0924 2.2807 2.3862 2.6651 2.7222
3.0518 3.0755 3.3917 3.4305 3.8233 3.8502 4.3718 4.3923
4.6719 4.6904 6.7420 6.7807 8.6516 8.7801 10.3892 10.5757
11.2721 11.4536 12.4255 12.6639 13.1535 13.2713
k = 0.2021-0.0992 0.1771 ( 4277 PWs) bands (ev):
-22.4852 -22.4850 -21.5717 -21.5715 -20.3492 -20.3488 -15.0452 -15.0430
-13.7293 -13.7256 -11.9954 -11.9881 -7.6455 -7.6331 -4.4580 -4.4469
-3.4489 -3.4077 -2.3519 -2.3196 -1.9876 -1.7990 -1.3588 -1.2292
-1.1588 -0.9485 -0.8795 -0.6408 -0.3350 -0.2779 0.0360 0.1658
0.3542 0.4554 0.6868 0.8087 1.1417 1.2498 1.5057 1.5433
1.8710 1.9388 2.0688 2.0925 2.2947 2.4063 2.6837 2.7422
3.0634 3.0894 3.3987 3.4372 3.8212 3.8449 4.3620 4.3806
4.6816 4.6994 6.6852 6.7240 8.6871 8.8198 10.3961 10.5868
11.2531 11.4391 12.4366 12.6787 13.1228 13.2475
k = 0.1915-0.0940 0.1678 ( 4279 PWs) bands (ev):
-22.4859 -22.4857 -21.5717 -21.5715 -20.3491 -20.3488 -15.0477 -15.0454
-13.7193 -13.7149 -11.9976 -11.9897 -7.6616 -7.6484 -4.4561 -4.4504
-3.4310 -3.3842 -2.3539 -2.3213 -1.9936 -1.7963 -1.3569 -1.2315
-1.1632 -0.9548 -0.8774 -0.6397 -0.3360 -0.2771 0.0235 0.1609
0.3499 0.4523 0.6495 0.7715 1.1455 1.2531 1.5018 1.5382
1.8895 1.9635 2.0676 2.0935 2.3124 2.4261 2.7044 2.7650
3.0750 3.1035 3.4056 3.4433 3.8195 3.8403 4.3533 4.3698
4.6911 4.7080 6.6284 6.6667 8.7257 8.8619 10.4007 10.5947
11.2356 11.4247 12.4492 12.6951 13.0870 13.2214
k = 0.1809-0.0888 0.1585 ( 4276 PWs) bands (ev):
-22.4865 -22.4863 -21.5717 -21.5714 -20.3490 -20.3487 -15.0506 -15.0483
-13.7082 -13.7031 -12.0004 -11.9919 -7.6790 -7.6651 -4.4568 -4.4524
-3.4081 -3.3543 -2.3557 -2.3229 -1.9995 -1.7933 -1.3549 -1.2344
-1.1689 -0.9606 -0.8756 -0.6391 -0.3377 -0.2770 0.0090 0.1552
0.3403 0.4486 0.6152 0.7326 1.1514 1.2584 1.4970 1.5340
1.9044 1.9818 2.0672 2.0950 2.3334 2.4449 2.7268 2.7903
3.0866 3.1176 3.4124 3.4490 3.8180 3.8366 4.3458 4.3600
4.7001 4.7163 6.5717 6.6092 8.7673 8.9062 10.4032 10.5994
11.2196 11.4106 12.4627 12.7128 13.0474 13.1945
k = 0.1702-0.0835 0.1491 ( 4276 PWs) bands (ev):
-22.4871 -22.4869 -21.5716 -21.5714 -20.3489 -20.3486 -15.0539 -15.0515
-13.6960 -13.6904 -12.0038 -11.9949 -7.6973 -7.6829 -4.4603 -4.4526
-3.3802 -3.3190 -2.3574 -2.3244 -2.0054 -1.7901 -1.3529 -1.2381
-1.1760 -0.9658 -0.8741 -0.6390 -0.3401 -0.2780 -0.0071 0.1485
0.3239 0.4443 0.5849 0.6943 1.1591 1.2655 1.4916 1.5306
1.9166 1.9946 2.0673 2.0966 2.3566 2.4623 2.7506 2.8175
3.0980 3.1315 3.4192 3.4543 3.8167 3.8338 4.3395 4.3513
4.7087 4.7241 6.5157 6.5520 8.8112 8.9522 10.4034 10.6006
11.2052 11.3964 12.4763 12.7309 13.0051 13.1693
k = 0.1596-0.0783 0.1398 ( 4273 PWs) bands (ev):
-22.4877 -22.4875 -21.5716 -21.5714 -20.3488 -20.3485 -15.0575 -15.0550
-13.6831 -13.6769 -12.0077 -11.9984 -7.7162 -7.7016 -4.4643 -4.4531
-3.3476 -3.2791 -2.3589 -2.3259 -2.0111 -1.7867 -1.3508 -1.2428
-1.1842 -0.9701 -0.8730 -0.6396 -0.3432 -0.2802 -0.0245 0.1407
0.3005 0.4389 0.5585 0.6593 1.1683 1.2741 1.4857 1.5281
1.9268 2.0033 2.0678 2.0979 2.3808 2.4782 2.7753 2.8458
3.1093 3.1449 3.4263 3.4593 3.8154 3.8319 4.3344 4.3437
4.7169 4.7315 6.4606 6.4954 8.8573 8.9996 10.4014 10.5985
11.1923 11.3822 12.4887 12.7480 12.9624 13.1481
k = 0.1489-0.0731 0.1305 ( 4271 PWs) bands (ev):
-22.4882 -22.4880 -21.5716 -21.5714 -20.3488 -20.3485 -15.0612 -15.0587
-13.6695 -13.6629 -12.0120 -12.0025 -7.7356 -7.7209 -4.4683 -4.4542
-3.3108 -3.2352 -2.3602 -2.3272 -2.0165 -1.7832 -1.3487 -1.2488
-1.1932 -0.9737 -0.8723 -0.6409 -0.3477 -0.2834 -0.0430 0.1313
0.2717 0.4306 0.5355 0.6304 1.1787 1.2838 1.4795 1.5261
1.9356 2.0094 2.0683 2.0986 2.4048 2.4926 2.8007 2.8745
3.1200 3.1574 3.4339 3.4644 3.8141 3.8307 4.3304 4.3374
4.7246 4.7383 6.4069 6.4399 8.9051 9.0481 10.3974 10.5931
11.1809 11.3677 12.4980 12.7604 12.9236 13.1336
k = 0.1383-0.0679 0.1212 ( 4267 PWs) bands (ev):
-22.4887 -22.4885 -21.5715 -21.5713 -20.3487 -20.3484 -15.0650 -15.0625
-13.6554 -13.6486 -12.0167 -12.0070 -7.7551 -7.7405 -4.4721 -4.4558
-3.2705 -3.1883 -2.3614 -2.3285 -2.0216 -1.7796 -1.3468 -1.2565
-1.2023 -0.9763 -0.8721 -0.6433 -0.3544 -0.2869 -0.0621 0.1193
0.2408 0.4163 0.5171 0.6091 1.1901 1.2946 1.4733 1.5245
1.9433 2.0138 2.0690 2.0988 2.4278 2.5056 2.8263 2.9029
3.1299 3.1686 3.4422 3.4700 3.8128 3.8300 4.3275 4.3323
4.7318 4.7447 6.3549 6.3860 8.9543 9.0971 10.3916 10.5848
11.1707 11.3528 12.5025 12.7603 12.8977 13.1277
k = 0.1277-0.0627 0.1119 ( 4260 PWs) bands (ev):
-22.4891 -22.4890 -21.5714 -21.5712 -20.3486 -20.3483 -15.0689 -15.0665
-13.6411 -13.6342 -12.0216 -12.0119 -7.7743 -7.7601 -4.4757 -4.4579
-3.2272 -3.1391 -2.3625 -2.3297 -2.0261 -1.7762 -1.3452 -1.2659
-1.2109 -0.9783 -0.8725 -0.6471 -0.3643 -0.2896 -0.0814 0.1033
0.2113 0.3939 0.5055 0.5947 1.2022 1.3061 1.4670 1.5232
1.9503 2.0169 2.0698 2.0985 2.4494 2.5174 2.8518 2.9303
3.1387 3.1781 3.4512 3.4765 3.8115 3.8296 4.3255 4.3285
4.7386 4.7505 6.3049 6.3339 9.0045 9.1462 10.3845 10.5738
11.1616 11.3373 12.5009 12.7390 12.8947 13.1313
k = 0.1170-0.0574 0.1025 ( 4258 PWs) bands (ev):
-22.4896 -22.4894 -21.5713 -21.5712 -20.3485 -20.3482 -15.0728 -15.0704
-13.6269 -13.6199 -12.0267 -12.0171 -7.7931 -7.7793 -4.4789 -4.4604
-3.1816 -3.0885 -2.3634 -2.3309 -2.0298 -1.7732 -1.3444 -1.2769
-1.2184 -0.9798 -0.8736 -0.6530 -0.3776 -0.2906 -0.1006 0.0815
0.1869 0.3654 0.5003 0.5850 1.2148 1.3181 1.4609 1.5219
1.9567 2.0192 2.0706 2.0979 2.4692 2.5281 2.8768 2.9564
3.1459 3.1857 3.4610 3.4844 3.8103 3.8291 4.3242 4.3261
4.7447 4.7558 6.2574 6.2842 9.0552 9.1948 10.3762 10.5606
11.1533 11.3212 12.4926 12.7014 12.9116 13.1437
k = 0.1064-0.0522 0.0932 ( 4262 PWs) bands (ev):
-22.4900 -22.4899 -21.5714 -21.5712 -20.3485 -20.3482 -15.0765 -15.0742
-13.6128 -13.6059 -12.0318 -12.0224 -7.8112 -7.7981 -4.4817 -4.4632
-3.1345 -3.0374 -2.3640 -2.3321 -2.0324 -1.7709 -1.3451 -1.2884
-1.2244 -0.9810 -0.8753 -0.6620 -0.3933 -0.2896 -0.1196 0.0539
0.1689 0.3346 0.4993 0.5783 1.2277 1.3302 1.4550 1.5204
1.9627 2.0207 2.0715 2.0972 2.4873 2.5377 2.9011 2.9809
3.1512 3.1912 3.4715 3.4938 3.8091 3.8284 4.3232 4.3252
4.7504 4.7605 6.2126 6.2370 9.1060 9.2424 10.3672 10.5453
11.1457 11.3044 12.4784 12.6572 12.9396 13.1634
k = 0.0957-0.0470 0.0839 ( 4260 PWs) bands (ev):
-22.4904 -22.4903 -21.5713 -21.5712 -20.3484 -20.3482 -15.0801 -15.0779
-13.5991 -13.5925 -12.0369 -12.0279 -7.8283 -7.8160 -4.4841 -4.4660
-3.0867 -2.9869 -2.3645 -2.3332 -2.0336 -1.7700 -1.3482 -1.2989
-1.2286 -0.9825 -0.8776 -0.6750 -0.4092 -0.2867 -0.1384 0.0225
0.1565 0.3043 0.5006 0.5733 1.2406 1.3419 1.4496 1.5187
1.9683 2.0216 2.0726 2.0963 2.5035 2.5463 2.9244 3.0036
3.1545 3.1945 3.4825 3.5047 3.8080 3.8273 4.3226 4.3254
4.7555 4.7647 6.1710 6.1929 9.1564 9.2883 10.3581 10.5285
11.1388 11.2869 12.4600 12.6115 12.9743 13.1879
k = 0.0851-0.0418 0.0746 ( 4257 PWs) bands (ev):
-22.4908 -22.4907 -21.5713 -21.5712 -20.3484 -20.3482 -15.0834 -15.0814
-13.5861 -13.5798 -12.0417 -12.0332 -7.8441 -7.8328 -4.4861 -4.4690
-3.0389 -2.9383 -2.3647 -2.3344 -2.0330 -1.7710 -1.3544 -1.3072
-1.2306 -0.9849 -0.8803 -0.6926 -0.4228 -0.2825 -0.1576 -0.0100
0.1480 0.2761 0.5034 0.5693 1.2536 1.3528 1.4449 1.5166
1.9737 2.0220 2.0738 2.0954 2.5180 2.5540 2.9468 3.0244
3.1555 3.1959 3.4941 3.5166 3.8068 3.8258 4.3227 4.3261
4.7601 4.7683 6.1328 6.1522 9.2059 9.3317 10.3494 10.5103
11.1326 11.2689 12.4393 12.5670 13.0131 13.2148
k = 0.0745-0.0365 0.0652 ( 4254 PWs) bands (ev):
-22.4911 -22.4910 -21.5712 -21.5711 -20.3483 -20.3481 -15.0865 -15.0847
-13.5740 -13.5681 -12.0462 -12.0384 -7.8585 -7.8483 -4.4876 -4.4719
-2.9920 -2.8927 -2.3645 -2.3357 -2.0300 -1.7747 -1.3628 -1.3134
-1.2298 -0.9891 -0.8830 -0.7147 -0.4320 -0.2775 -0.1772 -0.0414
0.1421 0.2508 0.5070 0.5657 1.2664 1.3621 1.4416 1.5140
1.9789 2.0218 2.0751 2.0944 2.5308 2.5606 2.9680 3.0434
3.1545 3.1953 3.5061 3.5289 3.8057 3.8239 4.3234 4.3272
4.7642 4.7714 6.0983 6.1153 9.2537 9.3717 10.3416 10.4911
11.1273 11.2505 12.4181 12.5249 13.0542 13.2417
k = 0.0638-0.0313 0.0559 ( 4255 PWs) bands (ev):
-22.4914 -22.4913 -21.5712 -21.5711 -20.3483 -20.3481 -15.0892 -15.0876
-13.5629 -13.5576 -12.0503 -12.0433 -7.8713 -7.8623 -4.4888 -4.4747
-2.9469 -2.8517 -2.3639 -2.3371 -2.0240 -1.7821 -1.3714 -1.3190
-1.2257 -0.9963 -0.8852 -0.7400 -0.4358 -0.2730 -0.1968 -0.0703
0.1383 0.2286 0.5111 0.5622 1.2790 1.3687 1.4404 1.5107
1.9839 2.0211 2.0765 2.0934 2.5420 2.5663 2.9880 3.0604
3.1517 3.1931 3.5183 3.5409 3.8045 3.8216 4.3245 4.3285
4.7677 4.7739 6.0679 6.0824 9.2994 9.4073 10.3353 10.4712
11.1232 11.2320 12.3980 12.4862 13.0962 13.2665
k = 0.0532-0.0261 0.0466 ( 4258 PWs) bands (ev):
-22.4917 -22.4916 -21.5712 -21.5711 -20.3482 -20.3481 -15.0915 -15.0902
-13.5531 -13.5485 -12.0539 -12.0478 -7.8823 -7.8746 -4.4896 -4.4774
-2.9044 -2.8166 -2.3629 -2.3387 -2.0145 -1.7937 -1.3781 -1.3250
-1.2180 -1.0078 -0.8861 -0.7663 -0.4344 -0.2721 -0.2135 -0.0960
0.1363 0.2093 0.5155 0.5588 1.2913 1.3718 1.4420 1.5068
1.9887 2.0200 2.0781 2.0923 2.5515 2.5709 3.0068 3.0752
3.1477 3.1893 3.5304 3.5517 3.8036 3.8189 4.3260 4.3297
4.7707 4.7759 6.0418 6.0538 9.3420 9.4377 10.3312 10.4508
11.1205 11.2137 12.3801 12.4516 13.1376 13.2873
k = 0.0426-0.0209 0.0373 ( 4260 PWs) bands (ev):
-22.4920 -22.4919 -21.5713 -21.5712 -20.3482 -20.3481 -15.0935 -15.0924
-13.5447 -13.5409 -12.0568 -12.0518 -7.8913 -7.8850 -4.4899 -4.4799
-2.8655 -2.7888 -2.3613 -2.3406 -2.0010 -1.8100 -1.3816 -1.3319
-1.2065 -1.0243 -0.8852 -0.7912 -0.4281 -0.2805 -0.2211 -0.1184
0.1359 0.1928 0.5202 0.5551 1.3032 1.3712 1.4465 1.5022
1.9932 2.0185 2.0797 2.0912 2.5595 2.5745 3.0244 3.0873
3.1434 3.1842 3.5419 3.5609 3.8029 3.8160 4.3275 4.3308
4.7732 4.7775 6.0203 6.0299 9.3809 9.4617 10.3299 10.4304
11.1197 11.1959 12.3656 12.4215 13.1772 13.3027
k = 0.0319-0.0157 0.0280 ( 4262 PWs) bands (ev):
-22.4921 -22.4921 -21.5712 -21.5712 -20.3482 -20.3481 -15.0950 -15.0942
-13.5379 -13.5349 -12.0590 -12.0552 -7.8982 -7.8934 -4.4898 -4.4822
-2.8311 -2.7692 -2.3592 -2.3428 -1.9833 -1.8308 -1.3817 -1.3397
-1.1911 -1.0458 -0.8821 -0.8132 -0.4177 -0.2989 -0.2183 -0.1381
0.1370 0.1788 0.5249 0.5514 1.3146 1.3675 1.4531 1.4969
1.9975 2.0165 2.0813 2.0900 2.5661 2.5770 3.0407 3.0950
3.1407 3.1781 3.5523 3.5678 3.8026 3.8130 4.3290 4.3317
4.7753 4.7785 6.0036 6.0107 9.4151 9.4785 10.3319 10.4104
11.1209 11.1792 12.3551 12.3963 13.2136 13.3114
k = 0.0213-0.0104 0.0186 ( 4260 PWs) bands (ev):
-22.4922 -22.4922 -21.5713 -21.5712 -20.3481 -20.3481 -15.0961 -15.0955
-13.5327 -13.5308 -12.0604 -12.0578 -7.9030 -7.8998 -4.4894 -4.4843
-2.8021 -2.7586 -2.3567 -2.3453 -1.9616 -1.8551 -1.3786 -1.3482
-1.1720 -1.0708 -0.8767 -0.8318 -0.4036 -0.3215 -0.2098 -0.1556
0.1396 0.1671 0.5296 0.5474 1.3255 1.3615 1.4607 1.4908
2.0015 2.0142 2.0829 2.0888 2.5712 2.5784 3.0558 3.0962
3.1421 3.1710 3.5612 3.5721 3.8029 3.8101 4.3303 4.3322
4.7769 4.7791 5.9919 5.9966 9.4438 9.4876 10.3373 10.3914
11.1246 11.1640 12.3491 12.3762 13.2458 13.3128
k = 0.0106-0.0052 0.0093 ( 4264 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3481 -20.3481 -15.0966 -15.0964
-13.5294 -13.5284 -12.0610 -12.0597 -7.9056 -7.9039 -4.4886 -4.4860
-2.7795 -2.7570 -2.3539 -2.3480 -1.9367 -1.8819 -1.3729 -1.3569
-1.1496 -1.0977 -0.8692 -0.8470 -0.3864 -0.3446 -0.1986 -0.1714
0.1439 0.1575 0.5342 0.5432 1.3357 1.3540 1.4687 1.4840
2.0051 2.0115 2.0845 2.0874 2.5750 2.5785 3.0695 3.0909
3.1476 3.1633 3.5679 3.5736 3.8038 3.8075 4.3314 4.3323
4.7781 4.7792 5.9853 5.9876 9.4661 9.4885 10.3464 10.3739
11.1307 11.1506 12.3480 12.3615 13.2726 13.3067
k = 0.0000 0.0000 0.0000 ( 4265 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3481 -20.3481 -15.0967 -15.0967
-13.5280 -13.5280 -12.0608 -12.0608 -7.9059 -7.9059 -4.4875 -4.4875
-2.7642 -2.7642 -2.3510 -2.3510 -1.9096 -1.9096 -1.3654 -1.3654
-1.1245 -1.1245 -0.8594 -0.8594 -0.3666 -0.3666 -0.1857 -0.1857
0.1498 0.1498 0.5388 0.5388 1.3453 1.3453 1.4766 1.4766
2.0085 2.0085 2.0860 2.0860 2.5774 2.5774 3.0814 3.0814
3.1552 3.1552 3.5721 3.5721 3.8053 3.8053 4.3321 4.3321
4.7788 4.7788 5.9838 5.9838 9.4812 9.4812 10.3587 10.3587
11.1394 11.1394 12.3521 12.3521 13.2931 13.2931
k = 0.0000 0.0000 0.0000 ( 4265 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3481 -20.3481 -15.0967 -15.0967
-13.5280 -13.5280 -12.0608 -12.0608 -7.9059 -7.9059 -4.4875 -4.4875
-2.7642 -2.7642 -2.3510 -2.3510 -1.9096 -1.9096 -1.3654 -1.3654
-1.1245 -1.1245 -0.8594 -0.8594 -0.3666 -0.3666 -0.1857 -0.1857
0.1498 0.1498 0.5388 0.5388 1.3453 1.3453 1.4766 1.4766
2.0085 2.0085 2.0860 2.0860 2.5774 2.5774 3.0814 3.0814
3.1552 3.1552 3.5721 3.5721 3.8053 3.8053 4.3321 4.3321
4.7788 4.7788 5.9838 5.9838 9.4812 9.4812 10.3587 10.3587
11.1394 11.1394 12.3521 12.3521 13.2931 13.2931
k = 0.0000 0.0133 0.0073 ( 4264 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3482 -20.3481 -15.0968 -15.0968
-13.5281 -13.5280 -12.0609 -12.0608 -7.9058 -7.9054 -4.4882 -4.4868
-2.7652 -2.7627 -2.3524 -2.3488 -1.9114 -1.9075 -1.3768 -1.3542
-1.1367 -1.1127 -0.8653 -0.8532 -0.3699 -0.3636 -0.1956 -0.1754
0.1441 0.1561 0.5287 0.5495 1.3355 1.3537 1.4691 1.4835
1.9955 2.0181 2.0799 2.0949 2.5745 2.5794 3.0702 3.0908
3.1479 3.1631 3.5705 3.5732 3.8046 3.8056 4.3309 4.3325
4.7788 4.7796 5.9848 5.9858 9.4720 9.4866 10.3526 10.3712
11.1367 11.1441 12.3471 12.3538 13.2892 13.2952
k = 0.0000 0.0265 0.0146 ( 4264 PWs) bands (ev):
-22.4922 -22.4922 -21.5713 -21.5713 -20.3482 -20.3482 -15.0970 -15.0969
-13.5283 -13.5281 -12.0611 -12.0610 -7.9052 -7.9044 -4.4888 -4.4860
-2.7657 -2.7607 -2.3533 -2.3460 -1.9127 -1.9049 -1.3884 -1.3433
-1.1492 -1.1015 -0.8711 -0.8468 -0.3736 -0.3610 -0.2049 -0.1648
0.1389 0.1629 0.5195 0.5609 1.3246 1.3604 1.4615 1.4897
1.9808 2.0215 2.0793 2.1048 2.5708 2.5806 3.0576 3.0971
3.1423 3.1708 3.5682 3.5736 3.8035 3.8055 4.3289 4.3322
4.7795 4.7810 5.9889 5.9908 9.4595 9.4882 10.3530 10.3896
11.1358 11.1507 12.3390 12.3524 13.2834 13.2954
k = 0.0000 0.0398 0.0219 ( 4264 PWs) bands (ev):
-22.4921 -22.4921 -21.5713 -21.5713 -20.3484 -20.3483 -15.0972 -15.0971
-13.5286 -13.5283 -12.0613 -12.0612 -7.9041 -7.9029 -4.4894 -4.4853
-2.7657 -2.7582 -2.3535 -2.3425 -1.9136 -1.9019 -1.4001 -1.3328
-1.1618 -1.0909 -0.8766 -0.8402 -0.3775 -0.3588 -0.2135 -0.1541
0.1344 0.1702 0.5113 0.5727 1.3128 1.3650 1.4538 1.4950
1.9652 2.0177 2.0853 2.1152 2.5663 2.5808 3.0442 3.0986
3.1401 3.1781 3.5654 3.5734 3.8020 3.8051 4.3262 4.3311
4.7808 4.7831 5.9959 5.9988 9.4444 9.4856 10.3599 10.4131
11.1368 11.1594 12.3277 12.3477 13.2758 13.2939
k = 0.0000 0.0531 0.0292 ( 4261 PWs) bands (ev):
-22.4919 -22.4919 -21.5713 -21.5712 -20.3485 -20.3484 -15.0976 -15.0974
-13.5289 -13.5286 -12.0617 -12.0616 -7.9025 -7.9010 -4.4900 -4.4845
-2.7652 -2.7553 -2.3532 -2.3384 -1.9140 -1.8986 -1.4117 -1.3231
-1.1740 -1.0811 -0.8819 -0.8335 -0.3817 -0.3572 -0.2214 -0.1433
0.1307 0.1779 0.5042 0.5848 1.3004 1.3672 1.4463 1.4989
1.9494 2.0091 2.0955 2.1256 2.5610 2.5800 3.0302 3.0949
3.1418 3.1849 3.5620 3.5727 3.8003 3.8044 4.3229 4.3292
4.7827 4.7857 6.0060 6.0098 9.4271 9.4793 10.3731 10.4409
11.1397 11.1702 12.3133 12.3398 13.2665 13.2906
k = 0.0000 0.0663 0.0365 ( 4260 PWs) bands (ev):
-22.4916 -22.4916 -21.5713 -21.5712 -20.3487 -20.3486 -15.0980 -15.0979
-13.5294 -13.5289 -12.0622 -12.0620 -7.9004 -7.8985 -4.4905 -4.4836
-2.7641 -2.7519 -2.3523 -2.3336 -1.9139 -1.8949 -1.4234 -1.3145
-1.1855 -1.0720 -0.8870 -0.8266 -0.3861 -0.3562 -0.2284 -0.1326
0.1276 0.1859 0.4982 0.5971 1.2875 1.3665 1.4391 1.5012
1.9336 1.9982 2.1074 2.1358 2.5549 2.5781 3.0161 3.0880
3.1458 3.1910 3.5581 3.5713 3.7985 3.8036 4.3189 4.3266
4.7850 4.7886 6.0190 6.0237 9.4082 9.4695 10.3918 10.4722
11.1446 11.1832 12.2958 12.3287 13.2556 13.2856
k = 0.0000 0.0796 0.0438 ( 4260 PWs) bands (ev):
-22.4914 -22.4913 -21.5713 -21.5712 -20.3489 -20.3488 -15.0985 -15.0984
-13.5300 -13.5294 -12.0628 -12.0626 -7.8979 -7.8955 -4.4909 -4.4828
-2.7625 -2.7481 -2.3508 -2.3281 -1.9134 -1.8909 -1.4350 -1.3075
-1.1957 -1.0638 -0.8918 -0.8197 -0.3907 -0.3557 -0.2345 -0.1221
0.1254 0.1943 0.4935 0.6093 1.2742 1.3628 1.4323 1.5014
1.9182 1.9864 2.1197 2.1459 2.5478 2.5750 3.0020 3.0796
3.1503 3.1966 3.5536 3.5694 3.7968 3.8029 4.3143 4.3233
4.7876 4.7917 6.0350 6.0404 9.3882 9.4567 10.4153 10.5061
11.1515 11.1986 12.2754 12.3144 13.2431 13.2791
k = 0.0000 0.0929 0.0511 ( 4262 PWs) bands (ev):
-22.4910 -22.4909 -21.5713 -21.5712 -20.3492 -20.3491 -15.0991 -15.0989
-13.5306 -13.5299 -12.0635 -12.0632 -7.8948 -7.8922 -4.4913 -4.4819
-2.7604 -2.7438 -2.3489 -2.3220 -1.9123 -1.8865 -1.4465 -1.3030
-1.2034 -1.0564 -0.8963 -0.8128 -0.3954 -0.3558 -0.2397 -0.1119
0.1239 0.2029 0.4901 0.6213 1.2606 1.3560 1.4255 1.4993
1.9037 1.9744 2.1318 2.1559 2.5398 2.5706 2.9883 3.0709
3.1546 3.2014 3.5488 3.5669 3.7953 3.8024 4.3092 4.3193
4.7902 4.7949 6.0539 6.0600 9.3676 9.4414 10.4426 10.5418
11.1606 11.2165 12.2521 12.2971 13.2292 13.2712
k = 0.0000 0.1062 0.0585 ( 4266 PWs) bands (ev):
-22.4906 -22.4905 -21.5713 -21.5712 -20.3496 -20.3494 -15.0998 -15.0996
-13.5313 -13.5306 -12.0642 -12.0640 -7.8914 -7.8884 -4.4916 -4.4810
-2.7578 -2.7391 -2.3465 -2.3153 -1.9108 -1.8818 -1.4579 -1.3020
-1.2079 -1.0499 -0.9005 -0.8059 -0.4003 -0.3566 -0.2438 -0.1020
0.1232 0.2118 0.4880 0.6328 1.2468 1.3463 1.4185 1.4945
1.8904 1.9627 2.1433 2.1658 2.5308 2.5647 2.9754 3.0624
3.1584 3.2056 3.5435 3.5639 3.7941 3.8022 4.3036 4.3147
4.7928 4.7979 6.0755 6.0824 9.3467 9.4243 10.4727 10.5783
11.1721 11.2370 12.2260 12.2768 13.2141 13.2621
k = 0.0000 0.1194 0.0658 ( 4267 PWs) bands (ev):
-22.4902 -22.4900 -21.5713 -21.5713 -20.3499 -20.3497 -15.1006 -15.1004
-13.5321 -13.5313 -12.0651 -12.0648 -7.8875 -7.8842 -4.4919 -4.4801
-2.7546 -2.7340 -2.3437 -2.3079 -1.9088 -1.8767 -1.4690 -1.3049
-1.2084 -1.0441 -0.9043 -0.7992 -0.4053 -0.3579 -0.2470 -0.0924
0.1232 0.2208 0.4874 0.6438 1.2326 1.3338 1.4108 1.4868
1.8786 1.9518 2.1538 2.1757 2.5206 2.5574 2.9635 3.0544
3.1615 3.2091 3.5379 3.5603 3.7936 3.8026 4.2975 4.3095
4.7953 4.8007 6.0999 6.1074 9.3259 9.4059 10.5047 10.6148
11.1862 11.2602 12.1972 12.2536 13.1979 13.2519
k = 0.0000 0.1327 0.0731 ( 4272 PWs) bands (ev):
-22.4897 -22.4896 -21.5714 -21.5713 -20.3503 -20.3501 -15.1015 -15.1012
-13.5330 -13.5321 -12.0660 -12.0657 -7.8832 -7.8796 -4.4921 -4.4792
-2.7509 -2.7286 -2.3405 -2.3000 -1.9064 -1.8712 -1.4798 -1.3114
-1.2053 -1.0391 -0.9078 -0.7928 -0.4105 -0.3598 -0.2492 -0.0831
0.1238 0.2298 0.4882 0.6539 1.2181 1.3185 1.4023 1.4762
1.8686 1.9418 2.1630 2.1856 2.5093 2.5486 2.9528 3.0471
3.1641 3.2121 3.5321 3.5562 3.7937 3.8037 4.2911 4.3039
4.7974 4.8031 6.1269 6.1348 9.3052 9.3864 10.5374 10.6506
11.2031 11.2861 12.1658 12.2278 13.1809 13.2409
k = 0.0000 0.1460 0.0804 ( 4273 PWs) bands (ev):
-22.4893 -22.4891 -21.5714 -21.5713 -20.3508 -20.3505 -15.1024 -15.1021
-13.5339 -13.5329 -12.0670 -12.0666 -7.8786 -7.8748 -4.4922 -4.4783
-2.7468 -2.7227 -2.3370 -2.2915 -1.9035 -1.8653 -1.4904 -1.3204
-1.1995 -1.0347 -0.9110 -0.7867 -0.4157 -0.3621 -0.2506 -0.0741
0.1251 0.2389 0.4904 0.6631 1.2029 1.3003 1.3930 1.4628
1.8607 1.9330 2.1710 2.1954 2.4968 2.5382 2.9435 3.0406
3.1661 3.2146 3.5260 3.5516 3.7947 3.8055 4.2844 4.2978
4.7992 4.8051 6.1562 6.1647 9.2850 9.3665 10.5701 10.6848
11.2231 11.3146 12.1321 12.1995 13.1632 13.2294
k = 0.0000 0.1592 0.0877 ( 4270 PWs) bands (ev):
-22.4887 -22.4885 -21.5714 -21.5713 -20.3512 -20.3509 -15.1034 -15.1030
-13.5349 -13.5339 -12.0680 -12.0677 -7.8737 -7.8696 -4.4922 -4.4773
-2.7421 -2.7165 -2.3332 -2.2826 -1.9002 -1.8590 -1.5004 -1.3310
-1.1919 -1.0310 -0.9137 -0.7811 -0.4210 -0.3648 -0.2510 -0.0654
0.1269 0.2478 0.4941 0.6711 1.1869 1.2790 1.3832 1.4471
1.8547 1.9255 2.1777 2.2050 2.4831 2.5264 2.9358 3.0348
3.1678 3.2166 3.5199 3.5466 3.7967 3.8082 4.2776 4.2913
4.8006 4.8066 6.1878 6.1967 9.2653 9.3463 10.6018 10.7168
11.2464 11.3456 12.0962 12.1692 13.1452 13.2175
k = 0.0000 0.1725 0.0950 ( 4271 PWs) bands (ev):
-22.4881 -22.4880 -21.5715 -21.5713 -20.3517 -20.3514 -15.1044 -15.1041
-13.5359 -13.5348 -12.0691 -12.0687 -7.8685 -7.8642 -4.4921 -4.4764
-2.7369 -2.7100 -2.3292 -2.2732 -1.8965 -1.8522 -1.5101 -1.3423
-1.1833 -1.0279 -0.9159 -0.7760 -0.4264 -0.3679 -0.2506 -0.0570
0.1294 0.2565 0.4992 0.6777 1.1697 1.2545 1.3730 1.4300
1.8506 1.9192 2.1832 2.2141 2.4684 2.5132 2.9297 3.0297
3.1694 3.2181 3.5136 3.5412 3.7998 3.8118 4.2706 4.2846
4.8016 4.8076 6.2213 6.2306 9.2464 9.3261 10.6319 10.7459
11.2731 11.3787 12.0584 12.1371 13.1272 13.2055
k = 0.0000 0.1858 0.1023 ( 4277 PWs) bands (ev):
-22.4876 -22.4874 -21.5715 -21.5714 -20.3522 -20.3519 -15.1055 -15.1051
-13.5370 -13.5359 -12.0703 -12.0699 -7.8631 -7.8586 -4.4920 -4.4754
-2.7313 -2.7032 -2.3251 -2.2635 -1.8926 -1.8449 -1.5191 -1.3539
-1.1741 -1.0252 -0.9178 -0.7715 -0.4319 -0.3714 -0.2495 -0.0490
0.1324 0.2650 0.5056 0.6826 1.1507 1.2269 1.3626 1.4123
1.8480 1.9140 2.1876 2.2225 2.4526 2.4988 2.9250 3.0251
3.1709 3.2193 3.5074 3.5355 3.8041 3.8164 4.2635 4.2777
4.8021 4.8081 6.2566 6.2663 9.2281 9.3062 10.6598 10.7716
11.3029 11.4134 12.0189 12.1039 13.1093 13.1938
k = 0.0000 0.1990 0.1096 ( 4276 PWs) bands (ev):
-22.4870 -22.4868 -21.5715 -21.5714 -20.3527 -20.3524 -15.1066 -15.1062
-13.5381 -13.5369 -12.0715 -12.0711 -7.8574 -7.8527 -4.4917 -4.4745
-2.7253 -2.6961 -2.3208 -2.2536 -1.8883 -1.8370 -1.5275 -1.3654
-1.1646 -1.0229 -0.9193 -0.7678 -0.4373 -0.3750 -0.2476 -0.0413
0.1360 0.2732 0.5131 0.6858 1.1296 1.1964 1.3522 1.3953
1.8467 1.9097 2.1909 2.2301 2.4362 2.4835 2.9218 3.0207
3.1727 3.2203 3.5012 3.5295 3.8096 3.8221 4.2565 4.2707
4.8022 4.8081 6.2935 6.3035 9.2106 9.2867 10.6850 10.7938
11.3356 11.4490 11.9781 12.0703 13.0920 13.1825
k = 0.0000 0.2123 0.1169 ( 4277 PWs) bands (ev):
-22.4864 -22.4862 -21.5716 -21.5714 -20.3532 -20.3529 -15.1078 -15.1074
-13.5392 -13.5380 -12.0727 -12.0723 -7.8516 -7.8468 -4.4913 -4.4735
-2.7188 -2.6887 -2.3166 -2.2437 -1.8838 -1.8285 -1.5351 -1.3767
-1.1550 -1.0209 -0.9203 -0.7647 -0.4428 -0.3789 -0.2450 -0.0341
0.1402 0.2811 0.5216 0.6867 1.1058 1.1638 1.3419 1.3797
1.8464 1.9060 2.1933 2.2367 2.4192 2.4673 2.9198 3.0164
3.1748 3.2211 3.4951 3.5233 3.8165 3.8288 4.2495 4.2636
4.8018 4.8076 6.3316 6.3421 9.1940 9.2677 10.7073 10.8121
11.3704 11.4847 11.9365 12.0374 13.0755 13.1718
k = 0.0000 0.2256 0.1242 ( 4277 PWs) bands (ev):
-22.4857 -22.4855 -21.5716 -21.5715 -20.3538 -20.3535 -15.1090 -15.1086
-13.5403 -13.5392 -12.0739 -12.0735 -7.8456 -7.8408 -4.4909 -4.4726
-2.7120 -2.6810 -2.3125 -2.2337 -1.8791 -1.8194 -1.5418 -1.3874
-1.1453 -1.0191 -0.9209 -0.7625 -0.4483 -0.3829 -0.2417 -0.0276
0.1452 0.2887 0.5308 0.6852 1.0788 1.1301 1.3318 1.3665
1.8466 1.9026 2.1947 2.2421 2.4021 2.4507 2.9188 3.0119
3.1774 3.2218 3.4892 3.5170 3.8246 3.8366 4.2427 4.2565
4.8012 4.8068 6.3708 6.3816 9.1783 9.2493 10.7264 10.8266
11.4062 11.5195 11.8945 12.0064 13.0602 13.1619
k = 0.0000 0.2388 0.1315 ( 4275 PWs) bands (ev):
-22.4850 -22.4849 -21.5716 -21.5715 -20.3543 -20.3540 -15.1102 -15.1098
-13.5415 -13.5403 -12.0752 -12.0747 -7.8396 -7.8347 -4.4903 -4.4716
-2.7048 -2.6732 -2.3084 -2.2240 -1.8742 -1.8097 -1.5476 -1.3976
-1.1358 -1.0174 -0.9212 -0.7610 -0.4537 -0.3872 -0.2378 -0.0218
0.1510 0.2959 0.5404 0.6808 1.0482 1.0967 1.3225 1.3556
1.8469 1.8993 2.1950 2.2461 2.3853 2.4339 2.9186 3.0071
3.1807 3.2224 3.4834 3.5106 3.8339 3.8455 4.2362 4.2495
4.8002 4.8056 6.4108 6.4219 9.1635 9.2317 10.7422 10.8374
11.4412 11.5526 11.8525 11.9792 13.0462 13.1531
k = 0.0000 0.2521 0.1388 ( 4278 PWs) bands (ev):
-22.4844 -22.4843 -21.5716 -21.5715 -20.3548 -20.3545 -15.1114 -15.1110
-13.5427 -13.5415 -12.0764 -12.0760 -7.8336 -7.8286 -4.4896 -4.4707
-2.6974 -2.6652 -2.3045 -2.2147 -1.8690 -1.7996 -1.5523 -1.4070
-1.1264 -1.0158 -0.9211 -0.7603 -0.4591 -0.3915 -0.2333 -0.0168
0.1575 0.3028 0.5500 0.6730 1.0140 1.0650 1.3142 1.3470
1.8471 1.8956 2.1942 2.2484 2.3692 2.4172 2.9189 3.0021
3.1845 3.2232 3.4779 3.5042 3.8444 3.8553 4.2298 4.2427
4.7989 4.8041 6.4513 6.4627 9.1495 9.2148 10.7545 10.8446
11.4723 11.5838 11.8111 11.9581 13.0340 13.1454
k = 0.0000 0.2654 0.1461 ( 4278 PWs) bands (ev):
-22.4838 -22.4836 -21.5716 -21.5715 -20.3554 -20.3550 -15.1126 -15.1122
-13.5438 -13.5426 -12.0776 -12.0772 -7.8275 -7.8226 -4.4888 -4.4698
-2.6896 -2.6570 -2.3008 -2.2060 -1.8634 -1.7889 -1.5558 -1.4156
-1.1172 -1.0141 -0.9208 -0.7604 -0.4644 -0.3960 -0.2282 -0.0128
0.1649 0.3093 0.5592 0.6616 0.9769 1.0360 1.3074 1.3402
1.8467 1.8915 2.1923 2.2486 2.3546 2.4012 2.9195 2.9966
3.1888 3.2241 3.4725 3.4978 3.8560 3.8661 4.2238 4.2360
4.7975 4.8024 6.4920 6.5038 9.1366 9.1988 10.7633 10.8482
11.4957 11.6139 11.7711 11.9452 13.0238 13.1390
k = 0.0000 0.2787 0.1534 ( 4279 PWs) bands (ev):
-22.4831 -22.4829 -21.5717 -21.5715 -20.3559 -20.3556 -15.1138 -15.1134
-13.5450 -13.5438 -12.0789 -12.0784 -7.8215 -7.8166 -4.4880 -4.4690
-2.6816 -2.6487 -2.2973 -2.1981 -1.8574 -1.7780 -1.5580 -1.4233
-1.1083 -1.0124 -0.9201 -0.7612 -0.4695 -0.4006 -0.2227 -0.0098
0.1729 0.3156 0.5670 0.6461 0.9387 1.0100 1.3023 1.3349
1.8456 1.8867 2.1891 2.2461 2.3421 2.3860 2.9203 2.9909
3.1936 3.2252 3.4675 3.4916 3.8685 3.8777 4.2182 4.2296
4.7958 4.8005 6.5328 6.5449 9.1245 9.1836 10.7686 10.8484
11.5074 11.6437 11.7339 11.9418 13.0157 13.1340
k = 0.0000 0.2919 0.1607 ( 4281 PWs) bands (ev):
-22.4825 -22.4823 -21.5717 -21.5716 -20.3564 -20.3561 -15.1150 -15.1146
-13.5461 -13.5450 -12.0801 -12.0797 -7.8156 -7.8107 -4.4870 -4.4682
-2.6735 -2.6404 -2.2940 -2.1912 -1.8510 -1.7670 -1.5588 -1.4300
-1.0997 -1.0106 -0.9191 -0.7627 -0.4745 -0.4053 -0.2166 -0.0078
0.1816 0.3215 0.5725 0.6268 0.9013 0.9873 1.2989 1.3310
1.8433 1.8810 2.1846 2.2406 2.3323 2.3724 2.9212 2.9849
3.1987 3.2265 3.4627 3.4855 3.8817 3.8901 4.2129 4.2235
4.7940 4.7984 6.5734 6.5857 9.1134 9.1694 10.7702 10.8452
11.5068 11.6641 11.7101 11.9473 13.0101 13.1302
k = 0.0000 0.3052 0.1680 ( 4285 PWs) bands (ev):
-22.4819 -22.4818 -21.5717 -21.5716 -20.3569 -20.3566 -15.1162 -15.1158
-13.5472 -13.5461 -12.0813 -12.0809 -7.8098 -7.8051 -4.4860 -4.4675
-2.6652 -2.6321 -2.2911 -2.1856 -1.8440 -1.7561 -1.5581 -1.4358
-1.0914 -1.0086 -0.9179 -0.7649 -0.4793 -0.4101 -0.2101 -0.0068
0.1906 0.3270 0.5730 0.6046 0.8667 0.9681 1.2971 1.3283
1.8398 1.8743 2.1788 2.2322 2.3253 2.3604 2.9219 2.9788
3.2040 3.2280 3.4582 3.4796 3.8955 3.9030 4.2080 4.2177
4.7922 4.7962 6.6134 6.6260 9.1033 9.1561 10.7683 10.8387
11.4963 11.6451 11.7288 11.9598 13.0070 13.1278
k = 0.0000 0.3185 0.1754 ( 4282 PWs) bands (ev):
-22.4813 -22.4811 -21.5717 -21.5716 -20.3574 -20.3571 -15.1173 -15.1170
-13.5483 -13.5472 -12.0824 -12.0820 -7.8041 -7.7996 -4.4848 -4.4668
-2.6568 -2.6238 -2.2883 -2.1812 -1.8363 -1.7456 -1.5558 -1.4406
-1.0834 -1.0065 -0.9165 -0.7677 -0.4838 -0.4150 -0.2032 -0.0067
0.1998 0.3321 0.5622 0.5852 0.8372 0.9522 1.2969 1.3268
1.8347 1.8666 2.1717 2.2212 2.3207 2.3506 2.9225 2.9727
3.2094 3.2298 3.4539 3.4740 3.9096 3.9164 4.2035 4.2123
4.7902 4.7940 6.6528 6.6654 9.0942 9.1437 10.7630 10.8291
11.4799 11.6133 11.7628 11.9765 13.0064 13.1266
k = 0.0000 0.3317 0.1827 ( 4284 PWs) bands (ev):
-22.4807 -22.4806 -21.5717 -21.5716 -20.3579 -20.3576 -15.1184 -15.1181
-13.5493 -13.5483 -12.0835 -12.0831 -7.7987 -7.7943 -4.4837 -4.4662
-2.6484 -2.6157 -2.2857 -2.1784 -1.8280 -1.7356 -1.5520 -1.4443
-1.0758 -1.0042 -0.9148 -0.7710 -0.4879 -0.4199 -0.1959 -0.0075
0.2088 0.3367 0.5364 0.5713 0.8150 0.9395 1.2981 1.3263
1.8280 1.8578 2.1635 2.2086 2.3178 2.3430 2.9229 2.9667
3.2147 3.2319 3.4501 3.4687 3.9239 3.9301 4.1995 4.2072
4.7883 4.7918 6.6911 6.7037 9.0860 9.1323 10.7543 10.8164
11.4607 11.5815 11.7982 11.9950 13.0084 13.1266
k = 0.0000 0.3450 0.1900 ( 4286 PWs) bands (ev):
-22.4802 -22.4800 -21.5717 -21.5716 -20.3583 -20.3580 -15.1195 -15.1192
-13.5503 -13.5493 -12.0845 -12.0842 -7.7935 -7.7893 -4.4824 -4.4656
-2.6401 -2.6079 -2.2833 -2.1770 -1.8191 -1.7266 -1.5465 -1.4470
-1.0685 -1.0018 -0.9130 -0.7749 -0.4917 -0.4249 -0.1883 -0.0091
0.2174 0.3407 0.5046 0.5543 0.8012 0.9294 1.3005 1.3269
1.8197 1.8478 2.1547 2.1952 2.3159 2.3374 2.9231 2.9610
3.2198 3.2342 3.4465 3.4637 3.9380 3.9438 4.1958 4.2025
4.7864 4.7896 6.7281 6.7407 9.0788 9.1218 10.7427 10.8009
11.4412 11.5515 11.8328 12.0137 13.0129 13.1275
k = 0.0000 0.3583 0.1973 ( 4284 PWs) bands (ev):
-22.4796 -22.4795 -21.5717 -21.5716 -20.3587 -20.3584 -15.1205 -15.1202
-13.5512 -13.5503 -12.0855 -12.0852 -7.7885 -7.7846 -4.4811 -4.4652
-2.6318 -2.6003 -2.2810 -2.1771 -1.8096 -1.7186 -1.5395 -1.4487
-1.0616 -0.9993 -0.9109 -0.7793 -0.4949 -0.4299 -0.1803 -0.0114
0.2251 0.3437 0.4711 0.5322 0.7952 0.9215 1.3042 1.3285
1.8099 1.8368 2.1455 2.1815 2.3147 2.3336 2.9231 2.9555
3.2247 3.2367 3.4433 3.4590 3.9518 3.9574 4.1926 4.1983
4.7846 4.7875 6.7637 6.7759 9.0725 9.1123 10.7286 10.7829
11.4229 11.5239 11.8656 12.0312 13.0195 13.1293
k = 0.0000 0.3715 0.2046 ( 4284 PWs) bands (ev):
-22.4791 -22.4790 -21.5717 -21.5716 -20.3591 -20.3588 -15.1214 -15.1212
-13.5521 -13.5512 -12.0864 -12.0861 -7.7839 -7.7802 -4.4798 -4.4649
-2.6236 -2.5932 -2.2787 -2.1787 -1.7997 -1.7119 -1.5312 -1.4494
-1.0550 -0.9969 -0.9085 -0.7842 -0.4976 -0.4350 -0.1720 -0.0144
0.2314 0.3453 0.4376 0.5071 0.7953 0.9153 1.3090 1.3311
1.7988 1.8248 2.1363 2.1681 2.3140 2.3312 2.9229 2.9503
3.2293 3.2393 3.4404 3.4546 3.9652 3.9707 4.1898 4.1945
4.7828 4.7854 6.7974 6.8093 9.0672 9.1036 10.7126 10.7628
11.4065 11.4988 11.8963 12.0469 13.0281 13.1316
k = 0.0000 0.3848 0.2119 ( 4286 PWs) bands (ev):
-22.4787 -22.4785 -21.5717 -21.5716 -20.3594 -20.3592 -15.1223 -15.1221
-13.5529 -13.5520 -12.0873 -12.0870 -7.7796 -7.7762 -4.4785 -4.4646
-2.6157 -2.5865 -2.2763 -2.1815 -1.7896 -1.7065 -1.5218 -1.4493
-1.0487 -0.9946 -0.9059 -0.7896 -0.4997 -0.4400 -0.1635 -0.0179
0.2358 0.3442 0.4066 0.4814 0.7996 0.9104 1.3146 1.3345
1.7866 1.8118 2.1274 2.1553 2.3137 2.3297 2.9227 2.9456
3.2334 3.2419 3.4378 3.4506 3.9778 3.9833 4.1874 4.1913
4.7811 4.7835 6.8290 6.8404 9.0627 9.0958 10.6953 10.7412
11.3926 11.4763 11.9247 12.0602 13.0382 13.1341
k = 0.0000 0.3981 0.2192 ( 4282 PWs) bands (ev):
-22.4782 -22.4781 -21.5717 -21.5716 -20.3597 -20.3595 -15.1231 -15.1229
-13.5536 -13.5528 -12.0880 -12.0878 -7.7756 -7.7725 -4.4771 -4.4645
-2.6080 -2.5806 -2.2737 -2.1856 -1.7793 -1.7025 -1.5117 -1.4485
-1.0426 -0.9926 -0.9028 -0.7954 -0.5010 -0.4450 -0.1548 -0.0220
0.2376 0.3365 0.3827 0.4573 0.8065 0.9064 1.3211 1.3388
1.7737 1.7980 2.1192 2.1435 2.3139 2.3287 2.9223 2.9413
3.2372 3.2446 3.4356 3.4470 3.9896 3.9951 4.1852 4.1885
4.7796 4.7817 6.8584 6.8690 9.0592 9.0888 10.6775 10.7190
11.3814 11.4563 11.9507 12.0712 13.0494 13.1368
k = 0.0000 0.4113 0.2265 ( 4280 PWs) bands (ev):
-22.4778 -22.4777 -21.5717 -21.5716 -20.3600 -20.3598 -15.1238 -15.1236
-13.5542 -13.5536 -12.0887 -12.0885 -7.7720 -7.7693 -4.4758 -4.4645
-2.6007 -2.5753 -2.2709 -2.1906 -1.7691 -1.6998 -1.5012 -1.4472
-1.0368 -0.9911 -0.8992 -0.8017 -0.5016 -0.4501 -0.1457 -0.0266
0.2363 0.3181 0.3711 0.4367 0.8149 0.9029 1.3282 1.3436
1.7607 1.7838 2.1119 2.1326 2.3145 2.3280 2.9219 2.9374
3.2406 3.2471 3.4338 3.4437 4.0004 4.0059 4.1834 4.1863
4.7782 4.7801 6.8851 6.8949 9.0564 9.0826 10.6600 10.6967
11.3727 11.4386 11.9742 12.0796 13.0613 13.1392
k = 0.0000 0.4246 0.2338 ( 4274 PWs) bands (ev):
-22.4775 -22.4774 -21.5716 -21.5716 -20.3602 -20.3600 -15.1245 -15.1243
-13.5548 -13.5542 -12.0893 -12.0891 -7.7688 -7.7664 -4.4745 -4.4646
-2.5937 -2.5709 -2.2676 -2.1964 -1.7593 -1.6983 -1.4908 -1.4457
-1.0313 -0.9902 -0.8950 -0.8085 -0.5014 -0.4551 -0.1365 -0.0318
0.2317 0.2941 0.3674 0.4205 0.8240 0.8997 1.3357 1.3489
1.7479 1.7694 2.1055 2.1230 2.3153 2.3275 2.9216 2.9340
3.2437 3.2493 3.4323 3.4408 4.0101 4.0154 4.1820 4.1845
4.7770 4.7786 6.9090 6.9177 9.0545 9.0771 10.6433 10.6752
11.3663 11.4232 11.9952 12.0856 13.0734 13.1411
k = 0.0000 0.4379 0.2411 ( 4273 PWs) bands (ev):
-22.4772 -22.4771 -21.5716 -21.5716 -20.3604 -20.3603 -15.1250 -15.1248
-13.5552 -13.5547 -12.0898 -12.0896 -7.7661 -7.7641 -4.4732 -4.4648
-2.5873 -2.5674 -2.2639 -2.2028 -1.7498 -1.6980 -1.4807 -1.4442
-1.0259 -0.9900 -0.8901 -0.8157 -0.5003 -0.4601 -0.1270 -0.0376
0.2244 0.2704 0.3668 0.4084 0.8332 0.8964 1.3432 1.3542
1.7360 1.7553 2.1003 2.1146 2.3164 2.3269 2.9213 2.9311
3.2464 3.2512 3.4311 3.4382 4.0186 4.0235 4.1808 4.1832
4.7760 4.7773 6.9298 6.9374 9.0533 9.0723 10.6284 10.6552
11.3621 11.4097 12.0140 12.0892 13.0853 13.1423
k = 0.0000 0.4511 0.2484 ( 4271 PWs) bands (ev):
-22.4769 -22.4769 -21.5716 -21.5716 -20.3605 -20.3604 -15.1254 -15.1253
-13.5556 -13.5552 -12.0902 -12.0901 -7.7637 -7.7621 -4.4719 -4.4651
-2.5815 -2.5649 -2.2597 -2.2096 -1.7409 -1.6989 -1.4715 -1.4429
-1.0206 -0.9908 -0.8844 -0.8232 -0.4984 -0.4651 -0.1173 -0.0441
0.2158 0.2492 0.3677 0.3997 0.8424 0.8929 1.3504 1.3593
1.7256 1.7422 2.0961 2.1075 2.3176 2.3262 2.9211 2.9285
3.2487 3.2527 3.4303 3.4359 4.0258 4.0300 4.1800 4.1821
4.7752 4.7762 6.9473 6.9536 9.0528 9.0681 10.6157 10.6374
11.3599 11.3981 12.0305 12.0906 13.0966 13.1425
k = 0.0000 0.4644 0.2557 ( 4267 PWs) bands (ev):
-22.4767 -22.4766 -21.5716 -21.5715 -20.3607 -20.3606 -15.1258 -15.1257
-13.5559 -13.5556 -12.0906 -12.0905 -7.7619 -7.7606 -4.4707 -4.4656
-2.5763 -2.5635 -2.2549 -2.2166 -1.7327 -1.7009 -1.4633 -1.4423
-1.0156 -0.9924 -0.8780 -0.8311 -0.4958 -0.4701 -0.1075 -0.0515
0.2079 0.2314 0.3697 0.3932 0.8511 0.8890 1.3569 1.3636
1.7173 1.7304 2.0932 2.1017 2.3189 2.3255 2.9211 2.9264
3.2507 3.2538 3.4298 3.4340 4.0316 4.0350 4.1795 4.1813
4.7746 4.7754 6.9614 6.9662 9.0529 9.0644 10.6059 10.6222
11.3595 11.3882 12.0449 12.0899 13.1070 13.1416
k = 0.0000 0.4777 0.2630 ( 4269 PWs) bands (ev):
-22.4765 -22.4765 -21.5716 -21.5716 -20.3608 -20.3607 -15.1260 -15.1260
-13.5561 -13.5559 -12.0908 -12.0907 -7.7605 -7.7596 -4.4696 -4.4662
-2.5718 -2.5631 -2.2496 -2.2237 -1.7252 -1.7038 -1.4563 -1.4426
-1.0107 -0.9948 -0.8710 -0.8391 -0.4925 -0.4750 -0.0975 -0.0596
0.2021 0.2174 0.3725 0.3880 0.8593 0.8845 1.3622 1.3668
1.7116 1.7207 2.0915 2.0971 2.3201 2.3246 2.9213 2.9247
3.2523 3.2544 3.4297 3.4325 4.0360 4.0384 4.1793 4.1806
4.7742 4.7747 6.9717 6.9750 9.0536 9.0613 10.5994 10.6103
11.3606 11.3798 12.0572 12.0872 13.1163 13.1395
k = 0.0000 0.4910 0.2703 ( 4271 PWs) bands (ev):
-22.4765 -22.4765 -21.5716 -21.5716 -20.3608 -20.3608 -15.1262 -15.1261
-13.5562 -13.5561 -12.0909 -12.0909 -7.7596 -7.7591 -4.4686 -4.4669
-2.5682 -2.5638 -2.2437 -2.2306 -1.7185 -1.7078 -1.4508 -1.4440
-1.0061 -0.9980 -0.8634 -0.8473 -0.4887 -0.4798 -0.0876 -0.0684
0.1997 0.2073 0.3758 0.3835 0.8667 0.8793 1.3661 1.3684
1.7089 1.7136 2.0910 2.0938 2.3214 2.3237 2.9217 2.9234
3.2535 3.2546 3.4299 3.4313 4.0389 4.0402 4.1794 4.1801
4.7740 4.7742 6.9784 6.9800 9.0548 9.0586 10.5964 10.6019
11.3633 11.3729 12.0675 12.0825 13.1243 13.1359
k = 0.0000 0.5042 0.2776 ( 4270 PWs) bands (ev):
-22.4764 -22.4764 -21.5716 -21.5716 -20.3608 -20.3608 -15.1262 -15.1262
-13.5562 -13.5562 -12.0909 -12.0909 -7.7591 -7.7591 -4.4677 -4.4677
-2.5655 -2.5655 -2.2373 -2.2373 -1.7127 -1.7127 -1.4466 -1.4466
-1.0018 -1.0018 -0.8555 -0.8555 -0.4844 -0.4844 -0.0778 -0.0778
0.2014 0.2014 0.3795 0.3795 0.8734 0.8734 1.3682 1.3682
1.7096 1.7096 2.0918 2.0918 2.3226 2.3226 2.9224 2.9224
3.2543 3.2543 3.4304 3.4304 4.0403 4.0403 4.1797 4.1797
4.7740 4.7740 6.9811 6.9811 9.0565 9.0565 10.5972 10.5972
11.3674 11.3674 12.0759 12.0759 13.1308 13.1308
k = 0.5000 0.2588 0.2433 ( 4278 PWs) bands (ev):
-22.4769 -22.4769 -21.5738 -21.5738 -20.3414 -20.3414 -15.0431 -15.0431
-13.7876 -13.7876 -12.0428 -12.0428 -7.5217 -7.5217 -4.5290 -4.5290
-3.3149 -3.3149 -2.2487 -2.2487 -1.7584 -1.7584 -1.4198 -1.4198
-1.1547 -1.1547 -0.6929 -0.6929 -0.2416 -0.2416 0.2100 0.2100
0.7183 0.7183 0.8292 0.8292 1.0256 1.0256 1.2380 1.2380
1.7569 1.7569 2.1351 2.1351 2.3109 2.3109 2.5184 2.5184
3.0239 3.0239 3.3935 3.3935 3.7330 3.7330 4.5778 4.5778
4.6285 4.6285 7.0425 7.0425 8.4470 8.4470 10.6822 10.6822
11.4709 11.4709 12.0712 12.0712 13.3814 13.3814
k = 0.4878 0.2525 0.2373 ( 4282 PWs) bands (ev):
-22.4769 -22.4769 -21.5739 -21.5739 -20.3414 -20.3414 -15.0433 -15.0431
-13.7875 -13.7870 -12.0432 -12.0426 -7.5230 -7.5217 -4.5294 -4.5284
-3.3165 -3.3121 -2.2503 -2.2473 -1.7628 -1.7544 -1.4219 -1.4175
-1.1580 -1.1507 -0.7009 -0.6857 -0.2461 -0.2380 0.2026 0.2170
0.7005 0.7291 0.8263 0.8388 1.0183 1.0296 1.2360 1.2443
1.7555 1.7589 2.1277 2.1445 2.3071 2.3104 2.5171 2.5205
3.0240 3.0254 3.3920 3.3961 3.7323 3.7340 4.5766 4.5779
4.6273 4.6302 7.0388 7.0430 8.4440 8.4528 10.6714 10.6909
11.4518 11.4917 12.0578 12.0854 13.3681 13.3908
k = 0.4756 0.2462 0.2314 ( 4281 PWs) bands (ev):
-22.4769 -22.4769 -21.5738 -21.5738 -20.3414 -20.3414 -15.0437 -15.0433
-13.7865 -13.7855 -12.0435 -12.0423 -7.5254 -7.5228 -4.5297 -4.5277
-3.3168 -3.3081 -2.2523 -2.2463 -1.7675 -1.7508 -1.4237 -1.4150
-1.1608 -1.1461 -0.7094 -0.6793 -0.2516 -0.2355 0.1946 0.2235
0.6791 0.7303 0.8314 0.8522 1.0083 1.0306 1.2386 1.2545
1.7547 1.7614 2.1222 2.1560 2.2992 2.3058 2.5166 2.5232
3.0256 3.0284 3.3917 3.3998 3.7318 3.7352 4.5745 4.5770
4.6270 4.6325 7.0319 7.0401 8.4441 8.4616 10.6588 10.6973
11.4346 11.5140 12.0452 12.1005 13.3520 13.3945
k = 0.4634 0.2399 0.2255 ( 4282 PWs) bands (ev):
-22.4771 -22.4771 -21.5738 -21.5737 -20.3415 -20.3415 -15.0443 -15.0436
-13.7848 -13.7833 -12.0439 -12.0422 -7.5289 -7.5252 -4.5298 -4.5268
-3.3160 -3.3029 -2.2546 -2.2457 -1.7726 -1.7474 -1.4253 -1.4123
-1.1628 -1.1409 -0.7186 -0.6736 -0.2578 -0.2341 0.1863 0.2293
0.6563 0.7237 0.8398 0.8686 0.9973 1.0300 1.2453 1.2679
1.7545 1.7643 2.1186 2.1693 2.2878 2.2976 2.5168 2.5265
3.0287 3.0327 3.3925 3.4046 3.7315 3.7366 4.5714 4.5750
4.6274 4.6353 7.0219 7.0340 8.4472 8.4733 10.6447 10.7015
11.4193 11.5373 12.0337 12.1164 13.3338 13.3913
k = 0.4512 0.2336 0.2195 ( 4282 PWs) bands (ev):
-22.4773 -22.4772 -21.5738 -21.5737 -20.3416 -20.3415 -15.0451 -15.0442
-13.7824 -13.7804 -12.0444 -12.0420 -7.5336 -7.5286 -4.5297 -4.5257
-3.3139 -3.2965 -2.2571 -2.2453 -1.7781 -1.7442 -1.4267 -1.4095
-1.1643 -1.1352 -0.7283 -0.6688 -0.2648 -0.2338 0.1777 0.2345
0.6330 0.7128 0.8442 0.8875 0.9874 1.0301 1.2554 1.2837
1.7547 1.7676 2.1163 2.1844 2.2733 2.2866 2.5175 2.5299
3.0333 3.0381 3.3944 3.4104 3.7314 3.7383 4.5675 4.5718
4.6287 4.6386 7.0089 7.0247 8.4533 8.4876 10.6293 10.7032
11.4060 11.5611 12.0233 12.1333 13.3142 13.3813
k = 0.4390 0.2273 0.2136 ( 4282 PWs) bands (ev):
-22.4775 -22.4774 -21.5738 -21.5737 -20.3417 -20.3416 -15.0461 -15.0450
-13.7792 -13.7767 -12.0449 -12.0420 -7.5395 -7.5333 -4.5295 -4.5246
-3.3106 -3.2890 -2.2599 -2.2454 -1.7840 -1.7413 -1.4279 -1.4064
-1.1653 -1.1289 -0.7383 -0.6649 -0.2724 -0.2345 0.1687 0.2390
0.6098 0.7003 0.8407 0.9050 0.9819 1.0338 1.2682 1.3013
1.7554 1.7713 2.1147 2.2008 2.2564 2.2743 2.5182 2.5332
3.0391 3.0446 3.3972 3.4172 3.7316 3.7402 4.5626 4.5676
4.6308 4.6424 6.9930 7.0122 8.4623 8.5046 10.6130 10.7027
11.3945 11.5848 12.0145 12.1512 13.2933 13.3658
k = 0.4268 0.2210 0.2077 ( 4277 PWs) bands (ev):
-22.4777 -22.4776 -21.5737 -21.5736 -20.3418 -20.3417 -15.0473 -15.0459
-13.7752 -13.7723 -12.0454 -12.0419 -7.5463 -7.5390 -4.5291 -4.5233
-3.3060 -3.2802 -2.2629 -2.2457 -1.7902 -1.7386 -1.4289 -1.4032
-1.1657 -1.1221 -0.7486 -0.6618 -0.2805 -0.2364 0.1593 0.2426
0.5868 0.6872 0.8288 0.9141 0.9863 1.0429 1.2832 1.3203
1.7564 1.7753 2.1127 2.2170 2.2381 2.2631 2.5190 2.5365
3.0460 3.0518 3.4010 3.4248 3.7320 3.7423 4.5569 4.5625
4.6337 4.6466 6.9743 6.9967 8.4741 8.5242 10.5960 10.6999
11.3844 11.6074 12.0077 12.1702 13.2715 13.3465
k = 0.4146 0.2146 0.2017 ( 4282 PWs) bands (ev):
-22.4780 -22.4779 -21.5737 -21.5736 -20.3419 -20.3418 -15.0486 -15.0470
-13.7706 -13.7672 -12.0459 -12.0420 -7.5542 -7.5459 -4.5285 -4.5219
-3.3004 -3.2703 -2.2662 -2.2464 -1.7970 -1.7361 -1.4298 -1.3998
-1.1658 -1.1149 -0.7592 -0.6597 -0.2889 -0.2393 0.1497 0.2454
0.5640 0.6741 0.8101 0.9105 1.0031 1.0575 1.2998 1.3404
1.7576 1.7795 2.1084 2.2144 2.2334 2.2591 2.5196 2.5396
3.0538 3.0597 3.4056 3.4331 3.7326 3.7446 4.5503 4.5565
4.6373 4.6512 6.9529 6.9782 8.4888 8.5461 10.5785 10.6953
11.3754 11.6281 12.0036 12.1904 13.2488 13.3249
k = 0.4024 0.2083 0.1958 ( 4285 PWs) bands (ev):
-22.4783 -22.4782 -21.5737 -21.5735 -20.3421 -20.3420 -15.0500 -15.0483
-13.7653 -13.7615 -12.0465 -12.0420 -7.5631 -7.5537 -4.5278 -4.5204
-3.2935 -3.2593 -2.2697 -2.2474 -1.8040 -1.7338 -1.4304 -1.3962
-1.1656 -1.1072 -0.7698 -0.6584 -0.2975 -0.2432 0.1397 0.2473
0.5416 0.6612 0.7868 0.8987 1.0270 1.0767 1.3177 1.3614
1.7589 1.7839 2.1000 2.1927 2.2366 2.2708 2.5199 2.5427
3.0623 3.0680 3.4108 3.4420 3.7333 3.7472 4.5428 4.5496
4.6415 4.6563 6.9291 6.9569 8.5060 8.5702 10.5608 10.6889
11.3671 11.6458 12.0031 12.2118 13.2255 13.3018
k = 0.3902 0.2020 0.1899 ( 4284 PWs) bands (ev):
-22.4787 -22.4786 -21.5736 -21.5734 -20.3423 -20.3421 -15.0516 -15.0497
-13.7593 -13.7551 -12.0471 -12.0421 -7.5729 -7.5625 -4.5270 -4.5188
-3.2855 -3.2472 -2.2734 -2.2487 -1.8115 -1.7316 -1.4310 -1.3924
-1.1652 -1.0991 -0.7804 -0.6579 -0.3062 -0.2481 0.1294 0.2482
0.5195 0.6486 0.7607 0.8829 1.0534 1.0993 1.3367 1.3833
1.7603 1.7887 2.0865 2.1688 2.2396 2.2907 2.5201 2.5458
3.0712 3.0766 3.4166 3.4514 3.7342 3.7499 4.5346 4.5421
4.6463 4.6619 6.9030 6.9329 8.5259 8.5965 10.5431 10.6812
11.3592 11.6594 12.0069 12.2345 13.2016 13.2778
k = 0.3780 0.1957 0.1839 ( 4282 PWs) bands (ev):
-22.4791 -22.4789 -21.5735 -21.5733 -20.3424 -20.3423 -15.0533 -15.0512
-13.7528 -13.7482 -12.0478 -12.0423 -7.5835 -7.5722 -4.5260 -4.5171
-3.2763 -3.2340 -2.2772 -2.2503 -1.8194 -1.7295 -1.4314 -1.3885
-1.1647 -1.0906 -0.7908 -0.6583 -0.3148 -0.2539 0.1187 0.2480
0.4975 0.6362 0.7330 0.8651 1.0802 1.1246 1.3564 1.4058
1.7617 1.7938 2.0681 2.1439 2.2471 2.3129 2.5203 2.5493
3.0805 3.0855 3.4228 3.4611 3.7353 3.7528 4.5258 4.5339
4.6517 4.6678 6.8748 6.9065 8.5482 8.6248 10.5257 10.6723
11.3512 11.6680 12.0156 12.2585 13.1773 13.2533
k = 0.3659 0.1894 0.1780 ( 4286 PWs) bands (ev):
-22.4795 -22.4794 -21.5735 -21.5733 -20.3427 -20.3425 -15.0551 -15.0529
-13.7457 -13.7407 -12.0485 -12.0425 -7.5949 -7.5828 -4.5250 -4.5154
-3.2660 -3.2198 -2.2811 -2.2522 -1.8276 -1.7276 -1.4316 -1.3844
-1.1643 -1.0819 -0.8009 -0.6594 -0.3232 -0.2605 0.1076 0.2467
0.4756 0.6238 0.7049 0.8463 1.1064 1.1517 1.3766 1.4287
1.7632 1.7995 2.0462 2.1183 2.2590 2.3360 2.5204 2.5533
3.0899 3.0945 3.4291 3.4711 3.7365 3.7558 4.5164 4.5251
4.6575 4.6741 6.8445 6.8777 8.5727 8.6548 10.5085 10.6627
11.3430 11.6713 12.0294 12.2838 13.1525 13.2285
k = 0.3537 0.1831 0.1721 ( 4288 PWs) bands (ev):
-22.4800 -22.4799 -21.5734 -21.5732 -20.3429 -20.3427 -15.0570 -15.0546
-13.7381 -13.7328 -12.0491 -12.0428 -7.6070 -7.5942 -4.5238 -4.5137
-3.2547 -3.2046 -2.2852 -2.2543 -1.8362 -1.7257 -1.4318 -1.3802
-1.1642 -1.0729 -0.8107 -0.6613 -0.3312 -0.2680 0.0961 0.2443
0.4536 0.6110 0.6772 0.8272 1.1317 1.1801 1.3971 1.4520
1.7647 1.8057 2.0220 2.0924 2.2744 2.3593 2.5208 2.5582
3.0993 3.1037 3.4356 3.4811 3.7379 3.7589 4.5065 4.5158
4.6638 4.6808 6.8125 6.8468 8.5994 8.6866 10.4918 10.6525
11.3341 11.6694 12.0479 12.3101 13.1276 13.2038
k = 0.3415 0.1768 0.1661 ( 4286 PWs) bands (ev):
-22.4804 -22.4803 -21.5734 -21.5732 -20.3431 -20.3429 -15.0589 -15.0565
-13.7300 -13.7244 -12.0499 -12.0431 -7.6197 -7.6062 -4.5225 -4.5120
-3.2423 -3.1884 -2.2894 -2.2567 -1.8451 -1.7240 -1.4318 -1.3758
-1.1643 -1.0639 -0.8199 -0.6639 -0.3389 -0.2761 0.0842 0.2407
0.4314 0.5972 0.6512 0.8081 1.1559 1.2090 1.4177 1.4753
1.7663 1.8126 1.9966 2.0667 2.2923 2.3823 2.5216 2.5644
3.1086 3.1129 3.4419 3.4910 3.7393 3.7621 4.4962 4.5061
4.6705 4.6877 6.7788 6.8139 8.6280 8.7198 10.4757 10.6419
11.3245 11.6628 12.0706 12.3374 13.1025 13.1793
k = 0.3293 0.1705 0.1602 ( 4292 PWs) bands (ev):
-22.4811 -22.4810 -21.5733 -21.5731 -20.3434 -20.3432 -15.0610 -15.0584
-13.7215 -13.7156 -12.0506 -12.0435 -7.6329 -7.6189 -4.5212 -4.5102
-3.2289 -3.1714 -2.2937 -2.2592 -1.8542 -1.7224 -1.4316 -1.3715
-1.1649 -1.0548 -0.8286 -0.6670 -0.3460 -0.2848 0.0717 0.2359
0.4089 0.5814 0.6282 0.7896 1.1788 1.2379 1.4381 1.4984
1.7681 1.8202 1.9708 2.0415 2.3118 2.4045 2.5232 2.5724
3.1176 3.1224 3.4481 3.5008 3.7409 3.7653 4.4857 4.4960
4.6775 4.6948 6.7436 6.7794 8.6584 8.7544 10.4603 10.6311
11.3141 11.6522 12.0965 12.3655 13.0776 13.1553
k = 0.3171 0.1641 0.1543 ( 4298 PWs) bands (ev):
-22.4818 -22.4816 -21.5733 -21.5731 -20.3436 -20.3434 -15.0631 -15.0604
-13.7126 -13.7065 -12.0513 -12.0439 -7.6466 -7.6321 -4.5198 -4.5085
-3.2145 -3.1534 -2.2980 -2.2619 -1.8637 -1.7209 -1.4313 -1.3671
-1.1659 -1.0459 -0.8366 -0.6707 -0.3526 -0.2942 0.0587 0.2299
0.3860 0.5628 0.6093 0.7717 1.2004 1.2662 1.4582 1.5208
1.7701 1.8287 1.9452 2.0173 2.3323 2.4252 2.5257 2.5828
3.1264 3.1319 3.4539 3.5102 3.7425 3.7684 4.4750 4.4857
4.6847 4.7021 6.7073 6.7433 8.6905 8.7903 10.4455 10.6203
11.3027 11.6384 12.1246 12.3940 13.0529 13.1320
k = 0.3049 0.1578 0.1483 ( 4297 PWs) bands (ev):
-22.4823 -22.4822 -21.5732 -21.5729 -20.3439 -20.3437 -15.0651 -15.0624
-13.7034 -13.6971 -12.0521 -12.0444 -7.6607 -7.6458 -4.5183 -4.5067
-3.1992 -3.1347 -2.3024 -2.2647 -1.8733 -1.7195 -1.4308 -1.3628
-1.1673 -1.0372 -0.8438 -0.6749 -0.3585 -0.3040 0.0450 0.2229
0.3625 0.5418 0.5942 0.7549 1.2206 1.2933 1.4779 1.5421
1.7722 1.8379 1.9205 1.9948 2.3530 2.4439 2.5298 2.5960
3.1349 3.1414 3.4593 3.5193 3.7442 3.7715 4.4642 4.4751
4.6921 4.7095 6.6698 6.7060 8.7240 8.8271 10.4315 10.6096
11.2905 11.6221 12.1542 12.4226 13.0288 13.1097
k = 0.2927 0.1515 0.1424 ( 4297 PWs) bands (ev):
-22.4829 -22.4827 -21.5730 -21.5728 -20.3441 -20.3439 -15.0672 -15.0645
-13.6940 -13.6875 -12.0528 -12.0449 -7.6751 -7.6599 -4.5168 -4.5050
-3.1831 -3.1153 -2.3067 -2.2677 -1.8830 -1.7183 -1.4303 -1.3588
-1.1692 -1.0289 -0.8501 -0.6795 -0.3638 -0.3141 0.0307 0.2149
0.3384 0.5200 0.5818 0.7391 1.2392 1.3187 1.4970 1.5619
1.7743 1.8476 1.8978 1.9748 2.3732 2.4605 2.5359 2.6122
3.1431 3.1509 3.4642 3.5279 3.7460 3.7744 4.4534 4.4645
4.6997 4.7169 6.6315 6.6676 8.7589 8.8648 10.4183 10.5990
11.2775 11.6037 12.1844 12.4508 13.0057 13.0887
k = 0.2805 0.1452 0.1365 ( 4293 PWs) bands (ev):
-22.4834 -22.4832 -21.5729 -21.5727 -20.3443 -20.3441 -15.0693 -15.0666
-13.6843 -13.6777 -12.0536 -12.0454 -7.6896 -7.6743 -4.5152 -4.5033
-3.1661 -3.0952 -2.3111 -2.2707 -1.8929 -1.7172 -1.4296 -1.3549
-1.1714 -1.0212 -0.8556 -0.6845 -0.3685 -0.3244 0.0158 0.2061
0.3139 0.4984 0.5709 0.7246 1.2561 1.3420 1.5154 1.5795
1.7759 1.8566 1.8788 1.9583 2.3920 2.4747 2.5447 2.6314
3.1511 3.1603 3.4687 3.5360 3.7478 3.7772 4.4428 4.4540
4.7073 4.7243 6.5925 6.6283 8.7949 8.9032 10.4060 10.5886
11.2639 11.5838 12.2146 12.4781 12.9840 13.0694
k = 0.2683 0.1389 0.1305 ( 4285 PWs) bands (ev):
-22.4839 -22.4837 -21.5727 -21.5724 -20.3446 -20.3443 -15.0714 -15.0686
-13.6746 -13.6678 -12.0543 -12.0460 -7.7043 -7.6888 -4.5136 -4.5017
-3.1484 -3.0745 -2.3155 -2.2738 -1.9028 -1.7163 -1.4289 -1.3514
-1.1739 -1.0141 -0.8602 -0.6898 -0.3728 -0.3347 0.0003 0.1966
0.2890 0.4775 0.5611 0.7112 1.2712 1.3627 1.5329 1.5943
1.7761 1.8561 1.8732 1.9464 2.4090 2.4867 2.5567 2.6532
3.1589 3.1696 3.4726 3.5434 3.7497 3.7797 4.4325 4.4436
4.7148 4.7315 6.5531 6.5883 8.8318 8.9421 10.3944 10.5784
11.2497 11.5628 12.2442 12.5037 12.9644 13.0522
k = 0.2561 0.1326 0.1246 ( 4279 PWs) bands (ev):
-22.4845 -22.4843 -21.5725 -21.5723 -20.3448 -20.3445 -15.0735 -15.0707
-13.6647 -13.6579 -12.0550 -12.0466 -7.7190 -7.7035 -4.5120 -4.5001
-3.1300 -3.0533 -2.3198 -2.2769 -1.9127 -1.7156 -1.4282 -1.3482
-1.1766 -1.0079 -0.8639 -0.6955 -0.3769 -0.3444 -0.0158 0.1863
0.2642 0.4574 0.5521 0.6989 1.2845 1.3804 1.5490 1.6055
1.7739 1.8473 1.8812 1.9405 2.4237 2.4969 2.5725 2.6770
3.1663 3.1788 3.4761 3.5502 3.7516 3.7820 4.4224 4.4333
4.7223 4.7386 6.5134 6.5480 8.8696 8.9813 10.3837 10.5684
11.2352 11.5408 12.2725 12.5266 12.9474 13.0378
k = 0.2439 0.1263 0.1187 ( 4279 PWs) bands (ev):
-22.4850 -22.4849 -21.5725 -21.5722 -20.3451 -20.3448 -15.0755 -15.0727
-13.6548 -13.6480 -12.0557 -12.0472 -7.7336 -7.7182 -4.5104 -4.4986
-3.1109 -3.0317 -2.3241 -2.2800 -1.9225 -1.7152 -1.4277 -1.3453
-1.1794 -1.0025 -0.8668 -0.7015 -0.3813 -0.3528 -0.0324 0.1753
0.2398 0.4382 0.5439 0.6878 1.2958 1.3950 1.5628 1.6129
1.7692 1.8432 1.8904 1.9410 2.4362 2.5056 2.5918 2.7023
3.1734 3.1876 3.4792 3.5563 3.7536 3.7840 4.4127 4.4234
4.7295 4.7453 6.4736 6.5075 8.9079 9.0206 10.3738 10.5584
11.2206 11.5182 12.2988 12.5459 12.9341 13.0267
k = 0.2317 0.1199 0.1127 ( 4279 PWs) bands (ev):
-22.4856 -22.4855 -21.5724 -21.5722 -20.3453 -20.3451 -15.0775 -15.0747
-13.6449 -13.6381 -12.0564 -12.0479 -7.7481 -7.7329 -4.5088 -4.4971
-3.0914 -3.0099 -2.3283 -2.2830 -1.9321 -1.7151 -1.4274 -1.3428
-1.1822 -0.9979 -0.8690 -0.7081 -0.3869 -0.3591 -0.0494 0.1630
0.2168 0.4198 0.5364 0.6775 1.3053 1.4064 1.5730 1.6164
1.7641 1.8446 1.9003 1.9469 2.4468 2.5132 2.6140 2.7285
3.1802 3.1961 3.4819 3.5617 3.7556 3.7857 4.4034 4.4139
4.7365 4.7518 6.4340 6.4670 8.9466 9.0598 10.3647 10.5486
11.2061 11.4952 12.3227 12.5604 12.9254 13.0197
k = 0.2195 0.1136 0.1068 ( 4277 PWs) bands (ev):
-22.4862 -22.4861 -21.5723 -21.5721 -20.3456 -20.3453 -15.0794 -15.0767
-13.6351 -13.6284 -12.0571 -12.0486 -7.7624 -7.7474 -4.5072 -4.4958
-3.0713 -2.9879 -2.3324 -2.2861 -1.9415 -1.7155 -1.4274 -1.3404
-1.1850 -0.9941 -0.8707 -0.7151 -0.3937 -0.3627 -0.0666 0.1486
0.1962 0.4019 0.5297 0.6680 1.3131 1.4147 1.5782 1.6165
1.7615 1.8505 1.9116 1.9562 2.4562 2.5202 2.6384 2.7553
3.1866 3.2042 3.4845 3.5664 3.7576 3.7871 4.3947 4.4048
4.7431 4.7578 6.3948 6.4267 8.9855 9.0986 10.3564 10.5389
11.1919 11.4720 12.3434 12.5693 12.9220 13.0173
k = 0.2073 0.1073 0.1009 ( 4277 PWs) bands (ev):
-22.4868 -22.4867 -21.5722 -21.5720 -20.3458 -20.3456 -15.0812 -15.0786
-13.6255 -13.6188 -12.0578 -12.0494 -7.7764 -7.7617 -4.5057 -4.4945
-3.0509 -2.9658 -2.3364 -2.2892 -1.9504 -1.7164 -1.4279 -1.3380
-1.1878 -0.9909 -0.8722 -0.7229 -0.4013 -0.3640 -0.0839 0.1313
0.1794 0.3845 0.5238 0.6593 1.3192 1.4202 1.5776 1.6136
1.7634 1.8598 1.9246 1.9673 2.4647 2.5267 2.6644 2.7823
3.1924 3.2116 3.4870 3.5705 3.7597 3.7883 4.3865 4.3962
4.7493 4.7633 6.3562 6.3870 9.0244 9.1369 10.3489 10.5292
11.1782 11.4488 12.3605 12.5721 12.9243 13.0201
k = 0.1951 0.1010 0.0949 ( 4274 PWs) bands (ev):
-22.4873 -22.4872 -21.5721 -21.5719 -20.3460 -20.3458 -15.0830 -15.0805
-13.6160 -13.6095 -12.0584 -12.0501 -7.7900 -7.7757 -4.5041 -4.4933
-3.0302 -2.9439 -2.3402 -2.2922 -1.9589 -1.7181 -1.4288 -1.3355
-1.1906 -0.9881 -0.8737 -0.7314 -0.4087 -0.3634 -0.1012 0.1111
0.1665 0.3674 0.5186 0.6510 1.3239 1.4231 1.5722 1.6077
1.7708 1.8717 1.9391 1.9790 2.4728 2.5329 2.6913 2.8093
3.1977 3.2182 3.4896 3.5740 3.7618 3.7893 4.3789 4.3882
4.7550 4.7683 6.3184 6.3479 9.0631 9.1743 10.3422 10.5194
11.1652 11.4256 12.3736 12.5690 12.9322 13.0284
k = 0.1829 0.0947 0.0890 ( 4273 PWs) bands (ev):
-22.4879 -22.4877 -21.5720 -21.5718 -20.3463 -20.3461 -15.0847 -15.0822
-13.6068 -13.6004 -12.0589 -12.0509 -7.8031 -7.7893 -4.5026 -4.4922
-3.0093 -2.9223 -2.3439 -2.2952 -1.9666 -1.7206 -1.4301 -1.3327
-1.1935 -0.9855 -0.8756 -0.7406 -0.4154 -0.3616 -0.1182 0.0892
0.1564 0.3506 0.5143 0.6432 1.3273 1.4238 1.5638 1.5989
1.7827 1.8855 1.9545 1.9906 2.4807 2.5389 2.7189 2.8360
3.2022 3.2239 3.4925 3.5769 3.7639 3.7901 4.3719 4.3808
4.7601 4.7726 6.2817 6.3099 9.1014 9.2108 10.3364 10.5096
11.1531 11.4027 12.3826 12.5609 12.9452 13.0417
k = 0.1707 0.0884 0.0831 ( 4273 PWs) bands (ev):
-22.4884 -22.4882 -21.5719 -21.5717 -20.3465 -20.3463 -15.0862 -15.0839
-13.5979 -13.5917 -12.0595 -12.0517 -7.8157 -7.8025 -4.5012 -4.4912
-2.9884 -2.9011 -2.3474 -2.2982 -1.9736 -1.7243 -1.4315 -1.3295
-1.1966 -0.9830 -0.8783 -0.7504 -0.4208 -0.3586 -0.1349 0.0666
0.1484 0.3340 0.5108 0.6357 1.3296 1.4226 1.5538 1.5881
1.7979 1.9006 1.9702 2.0018 2.4884 2.5446 2.7466 2.8623
3.2059 3.2284 3.4958 3.5793 3.7662 3.7909 4.3655 4.3740
4.7647 4.7764 6.2462 6.2730 9.1390 9.2460 10.3314 10.4996
11.1421 11.3800 12.3878 12.5488 12.9626 13.0595
k = 0.1585 0.0821 0.0771 ( 4273 PWs) bands (ev):
-22.4889 -22.4887 -21.5719 -21.5717 -20.3467 -20.3465 -15.0877 -15.0855
-13.5893 -13.5834 -12.0600 -12.0524 -7.8277 -7.8151 -4.4998 -4.4903
-2.9675 -2.8806 -2.3506 -2.3012 -1.9796 -1.7291 -1.4329 -1.3260
-1.1997 -0.9805 -0.8820 -0.7605 -0.4248 -0.3548 -0.1511 0.0441
0.1418 0.3176 0.5081 0.6283 1.3312 1.4198 1.5431 1.5763
1.8152 1.9165 1.9858 2.0123 2.4962 2.5501 2.7743 2.8880
3.2085 3.2315 3.4996 3.5812 3.7686 3.7917 4.3598 4.3679
4.7686 4.7795 6.2122 6.2375 9.1759 9.2796 10.3272 10.4895
11.1323 11.3578 12.3895 12.5339 12.9838 13.0809
k = 0.1463 0.0758 0.0712 ( 4277 PWs) bands (ev):
-22.4894 -22.4893 -21.5718 -21.5716 -20.3470 -20.3468 -15.0891 -15.0870
-13.5811 -13.5755 -12.0604 -12.0532 -7.8390 -7.8272 -4.4984 -4.4895
-2.9467 -2.8610 -2.3536 -2.3043 -1.9845 -1.7355 -1.4339 -1.3223
-1.2029 -0.9783 -0.8869 -0.7707 -0.4272 -0.3502 -0.1667 0.0220
0.1364 0.3015 0.5062 0.6211 1.3320 1.4156 1.5325 1.5642
1.8335 1.9326 2.0008 2.0221 2.5041 2.5553 2.8019 2.9130
3.2100 3.2332 3.5041 3.5828 3.7711 3.7925 4.3546 4.3623
4.7718 4.7819 6.1799 6.2036 9.2116 9.3115 10.3239 10.4793
11.1238 11.3362 12.3882 12.5172 13.0080 13.1048
k = 0.1341 0.0694 0.0653 ( 4276 PWs) bands (ev):
-22.4898 -22.4897 -21.5717 -21.5716 -20.3471 -20.3470 -15.0904 -15.0885
-13.5734 -13.5681 -12.0608 -12.0540 -7.8497 -7.8385 -4.4971 -4.4888
-2.9263 -2.8424 -2.3562 -2.3075 -1.9880 -1.7434 -1.4342 -1.3186
-1.2059 -0.9767 -0.8929 -0.7804 -0.4281 -0.3451 -0.1814 0.0004
0.1321 0.2857 0.5051 0.6140 1.3324 1.4105 1.5224 1.5523
1.8521 1.9487 2.0147 2.0312 2.5119 2.5602 2.8290 2.9372
3.2100 3.2333 3.5093 3.5839 3.7738 3.7935 4.3501 4.3574
4.7744 4.7837 6.1496 6.1715 9.2461 9.3414 10.3215 10.4689
11.1167 11.3151 12.3847 12.4994 13.0347 13.1303
k = 0.1220 0.0631 0.0593 ( 4274 PWs) bands (ev):
-22.4903 -22.4902 -21.5717 -21.5715 -20.3473 -20.3471 -15.0916 -15.0898
-13.5662 -13.5612 -12.0611 -12.0548 -7.8595 -7.8492 -4.4959 -4.4881
-2.9062 -2.8251 -2.3584 -2.3108 -1.9900 -1.7530 -1.4336 -1.3153
-1.2083 -0.9767 -0.8991 -0.7893 -0.4275 -0.3397 -0.1951 -0.0204
0.1287 0.2702 0.5048 0.6070 1.3325 1.4047 1.5129 1.5410
1.8707 1.9642 2.0269 2.0400 2.5197 2.5648 2.8557 2.9606
3.2084 3.2319 3.5150 3.5847 3.7768 3.7946 4.3461 4.3530
4.7763 4.7849 6.1213 6.1414 9.2791 9.3690 10.3200 10.4585
11.1111 11.2947 12.3797 12.4812 13.0631 13.1563
k = 0.1098 0.0568 0.0534 ( 4268 PWs) bands (ev):
-22.4905 -22.4904 -21.5715 -21.5714 -20.3474 -20.3473 -15.0926 -15.0910
-13.5594 -13.5549 -12.0614 -12.0555 -7.8685 -7.8591 -4.4947 -4.4876
-2.8867 -2.8093 -2.3602 -2.3143 -1.9904 -1.7643 -1.4318 -1.3129
-1.2096 -0.9796 -0.9042 -0.7974 -0.4255 -0.3344 -0.2073 -0.0404
0.1263 0.2551 0.5053 0.5999 1.3325 1.3983 1.5043 1.5305
1.8889 1.9789 2.0366 2.0490 2.5275 2.5689 2.8819 2.9830
3.2050 3.2292 3.5213 3.5852 3.7799 3.7960 4.3426 4.3492
4.7777 4.7855 6.0952 6.1136 9.3104 9.3941 10.3195 10.4479
11.1071 11.2750 12.3738 12.4631 13.0925 13.1821
k = 0.0976 0.0505 0.0475 ( 4268 PWs) bands (ev):
-22.4909 -22.4908 -21.5715 -21.5714 -20.3476 -20.3475 -15.0936 -15.0921
-13.5533 -13.5492 -12.0616 -12.0563 -7.8766 -7.8681 -4.4936 -4.4872
-2.8680 -2.7953 -2.3616 -2.3180 -1.9889 -1.7772 -1.4286 -1.3120
-1.2091 -0.9867 -0.9066 -0.8048 -0.4223 -0.3298 -0.2176 -0.0596
0.1248 0.2404 0.5065 0.5928 1.3325 1.3916 1.4968 1.5208
1.9064 1.9922 2.0440 2.0581 2.5350 2.5726 2.9074 3.0046
3.1996 3.2251 3.5279 3.5854 3.7831 3.7976 4.3397 4.3458
4.7785 4.7856 6.0716 6.0881 9.3397 9.4166 10.3200 10.4373
11.1046 11.2561 12.3675 12.4454 13.1224 13.2069
k = 0.0854 0.0442 0.0415 ( 4267 PWs) bands (ev):
-22.4912 -22.4911 -21.5715 -21.5713 -20.3477 -20.3476 -15.0944 -15.0931
-13.5478 -13.5441 -12.0617 -12.0570 -7.8838 -7.8763 -4.4926 -4.4869
-2.8501 -2.7832 -2.3623 -2.3219 -1.9855 -1.7916 -1.4242 -1.3131
-1.2064 -0.9984 -0.9057 -0.8115 -0.4181 -0.3267 -0.2251 -0.0780
0.1243 0.2263 0.5084 0.5858 1.3326 1.3848 1.4903 1.5121
1.9232 2.0038 2.0499 2.0667 2.5422 2.5757 2.9323 3.0251
3.1923 3.2199 3.5345 3.5852 3.7866 3.7993 4.3373 4.3429
4.7789 4.7852 6.0506 6.0651 9.3668 9.4361 10.3215 10.4268
11.1036 11.2380 12.3614 12.4286 13.1518 13.2299
k = 0.0732 0.0379 0.0356 ( 4266 PWs) bands (ev):
-22.4915 -22.4914 -21.5714 -21.5713 -20.3478 -20.3477 -15.0951 -15.0940
-13.5428 -13.5396 -12.0618 -12.0577 -7.8901 -7.8835 -4.4916 -4.4867
-2.8333 -2.7733 -2.3625 -2.3260 -1.9802 -1.8072 -1.4184 -1.3163
-1.2011 -1.0136 -0.9021 -0.8180 -0.4128 -0.3260 -0.2291 -0.0956
0.1248 0.2128 0.5110 0.5787 1.3330 1.3781 1.4849 1.5043
1.9390 2.0130 2.0553 2.0741 2.5490 2.5781 2.9564 3.0445
3.1832 3.2136 3.5411 3.5846 3.7900 3.8010 4.3353 4.3404
4.7789 4.7845 6.0323 6.0448 9.3916 9.4525 10.3240 10.4162
11.1043 11.2208 12.3560 12.4129 13.1803 13.2505
k = 0.0610 0.0316 0.0297 ( 4260 PWs) bands (ev):
-22.4917 -22.4916 -21.5713 -21.5712 -20.3479 -20.3478 -15.0957 -15.0947
-13.5386 -13.5359 -12.0618 -12.0583 -7.8953 -7.8898 -4.4907 -4.4866
-2.8177 -2.7657 -2.3621 -2.3303 -1.9728 -1.8237 -1.4115 -1.3215
-1.1932 -1.0310 -0.8966 -0.8244 -0.4067 -0.3282 -0.2290 -0.1125
0.1263 0.2000 0.5143 0.5717 1.3337 1.3715 1.4807 1.4974
1.9537 2.0192 2.0608 2.0801 2.5553 2.5799 2.9798 3.0627
3.1726 3.2062 3.5475 3.5836 3.7934 3.8027 4.3338 4.3382
4.7788 4.7835 6.0168 6.0272 9.4139 9.4658 10.3275 10.4059
11.1065 11.2046 12.3515 12.3986 13.2071 13.2680
k = 0.0488 0.0253 0.0237 ( 4261 PWs) bands (ev):
-22.4919 -22.4919 -21.5713 -21.5712 -20.3480 -20.3479 -15.0961 -15.0954
-13.5350 -13.5328 -12.0617 -12.0589 -7.8995 -7.8951 -4.4899 -4.4866
-2.8034 -2.7605 -2.3611 -2.3346 -1.9635 -1.8409 -1.4035 -1.3284
-1.1830 -1.0497 -0.8899 -0.8309 -0.3998 -0.3332 -0.2251 -0.1286
0.1288 0.1881 0.5182 0.5648 1.3349 1.3653 1.4777 1.4914
1.9673 2.0222 2.0666 2.0845 2.5611 2.5810 3.0024 3.0792
3.1610 3.1976 3.5535 3.5823 3.7967 3.8042 4.3327 4.3364
4.7786 4.7825 6.0041 6.0126 9.4334 9.4757 10.3320 10.3957
11.1102 11.1893 12.3483 12.3858 13.2314 13.2819
k = 0.0366 0.0189 0.0178 ( 4261 PWs) bands (ev):
-22.4921 -22.4920 -21.5713 -21.5712 -20.3480 -20.3480 -15.0965 -15.0959
-13.5322 -13.5305 -12.0616 -12.0595 -7.9027 -7.8994 -4.4892 -4.4867
-2.7908 -2.7577 -2.3594 -2.3389 -1.9523 -1.8584 -1.3947 -1.3366
-1.1708 -1.0689 -0.8825 -0.8376 -0.3923 -0.3403 -0.2181 -0.1440
0.1324 0.1770 0.5226 0.5580 1.3366 1.3595 1.4758 1.4863
1.9797 2.0222 2.0726 2.0873 2.5663 2.5813 3.0241 3.0929
3.1498 3.1881 3.5589 3.5805 3.7996 3.8053 4.3320 4.3349
4.7784 4.7813 5.9945 6.0008 9.4500 9.4823 10.3374 10.3858
11.1154 11.1751 12.3466 12.3746 13.2527 13.2917
k = 0.0244 0.0126 0.0119 ( 4261 PWs) bands (ev):
-22.4922 -22.4922 -21.5713 -21.5712 -20.3481 -20.3481 -15.0967 -15.0963
-13.5300 -13.5289 -12.0614 -12.0600 -7.9048 -7.9026 -4.4885 -4.4868
-2.7799 -2.7575 -2.3571 -2.3432 -1.9395 -1.8759 -1.3853 -1.3457
-1.1568 -1.0880 -0.8748 -0.8446 -0.3841 -0.3486 -0.2088 -0.1586
0.1371 0.1669 0.5276 0.5513 1.3389 1.3542 1.4750 1.4821
1.9907 2.0196 2.0780 2.0885 2.5707 2.5808 3.0447 3.1000
3.1428 3.1776 3.5639 3.5782 3.8021 3.8059 4.3317 4.3337
4.7783 4.7803 5.9879 5.9921 9.4636 9.4853 10.3437 10.3763
11.1220 11.1620 12.3466 12.3652 13.2704 13.2969
k = 0.0122 0.0063 0.0059 ( 4263 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3481 -20.3481 -15.0968 -15.0966
-13.5286 -13.5281 -12.0611 -12.0604 -7.9059 -7.9048 -4.4880 -4.4871
-2.7710 -2.7597 -2.3543 -2.3472 -1.9252 -1.8931 -1.3754 -1.3554
-1.1413 -1.1067 -0.8671 -0.8518 -0.3755 -0.3575 -0.1979 -0.1726
0.1429 0.1578 0.5330 0.5449 1.3418 1.3494 1.4753 1.4789
2.0004 2.0150 2.0826 2.0880 2.5745 2.5795 3.0640 3.0951
3.1457 3.1665 3.5683 3.5754 3.8040 3.8059 4.3317 4.3327
4.7785 4.7795 5.9843 5.9864 9.4740 9.4850 10.3509 10.3673
11.1301 11.1501 12.3484 12.3577 13.2840 13.2974
k = 0.0000 0.0000 0.0000 ( 4265 PWs) bands (ev):
-22.4923 -22.4923 -21.5713 -21.5713 -20.3481 -20.3481 -15.0967 -15.0967
-13.5280 -13.5280 -12.0608 -12.0608 -7.9059 -7.9059 -4.4875 -4.4875
-2.7642 -2.7642 -2.3510 -2.3510 -1.9096 -1.9096 -1.3654 -1.3654
-1.1245 -1.1245 -0.8594 -0.8594 -0.3666 -0.3666 -0.1857 -0.1857
0.1498 0.1498 0.5388 0.5388 1.3453 1.3453 1.4766 1.4766
2.0085 2.0085 2.0860 2.0860 2.5774 2.5774 3.0814 3.0814
3.1552 3.1552 3.5721 3.5721 3.8053 3.8053 4.3321 4.3321
4.7788 4.7788 5.9838 5.9838 9.4812 9.4812 10.3587 10.3587
11.1394 11.1394 12.3521 12.3521 13.2931 13.2931
Writing output data file HgH3IO6.save
init_run : 1.50s CPU 1.06s WALL ( 1 calls)
electrons : 436.06s CPU 329.09s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.05s CPU 0.05s WALL ( 1 calls)
potinit : 0.05s CPU 0.06s WALL ( 1 calls)
Called by electrons:
c_bands : 436.04s CPU 329.08s 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 : 0.27s CPU 0.17s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.42s CPU 0.48s WALL ( 277 calls)
cegterg : 398.89s CPU 307.29s WALL ( 568 calls)
Called by sum_band:
Called by *egterg:
h_psi : 256.34s CPU 173.89s WALL ( 8613 calls)
s_psi : 12.47s CPU 9.58s WALL ( 8613 calls)
g_psi : 0.57s CPU 0.44s WALL ( 7768 calls)
cdiaghg : 115.85s CPU 102.39s WALL ( 8045 calls)
cegterg:over : 18.08s CPU 15.04s WALL ( 7768 calls)
cegterg:upda : 13.13s CPU 11.42s WALL ( 7768 calls)
cegterg:last : 7.34s CPU 6.81s WALL ( 1676 calls)
cdiaghg:chol : 6.56s CPU 5.91s WALL ( 8045 calls)
cdiaghg:inve : 4.52s CPU 4.03s WALL ( 8045 calls)
cdiaghg:para : 7.25s CPU 6.89s WALL ( 16090 calls)
Called by h_psi:
h_psi:vloc : 225.35s CPU 149.61s WALL ( 8613 calls)
h_psi:vnl : 30.49s CPU 23.82s WALL ( 8613 calls)
add_vuspsi : 16.08s CPU 12.13s WALL ( 8613 calls)
General routines
calbec : 14.36s CPU 11.65s WALL ( 8613 calls)
fft : 0.07s CPU 0.06s WALL ( 19 calls)
ffts : 0.02s CPU 0.01s WALL ( 4 calls)
fftw : 211.86s CPU 138.44s WALL ( 1382276 calls)
interpolate : 0.02s CPU 0.02s WALL ( 4 calls)
davcio : 0.38s CPU 1.04s WALL ( 554 calls)
Parallel routines
fft_scatter : 75.20s CPU 59.00s WALL ( 1382299 calls)
PWSCF : 7m36.54s CPU 6m 5.68s WALL
This run was terminated on: 4:11:25 12Feb2017
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=