Program PWSCF v.5.1.1 starts on 12Oct2015 at 7:34:22
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
URL http://www.quantum-espresso.org",
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 48 processors
R & G space division: proc/nbgrp/npool/nimage = 48
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:
./Cu2GeSe3.save/
file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
a serial algorithm will be used
Parallelization info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Min 56 43 12 1115 755 117
Max 57 44 13 1118 768 120
Sum 2701 2091 597 53561 36579 5691
bravais-lattice index = 14
lattice parameter (alat) = 12.8959 a.u.
unit-cell volume = 868.0832 (a.u.)^3
number of atoms/cell = 6
number of atomic types = 3
number of electrons = 44.00
number of Kohn-Sham states= 52
kinetic-energy cutoff = 46.0000 Ry
charge density cutoff = 237.0000 Ry
Exchange-correlation = PBE ( 1 4 3 4 0 0)
Non magnetic calculation with spin-orbit
celldm(1)= 12.895928 celldm(2)= 1.000000 celldm(3)= 1.000000
celldm(4)= -0.832144 celldm(5)= -0.676519 celldm(6)= 0.508663
crystal axes: (cart. coord. in units of alat)
a(1) = ( 1.000000 0.000000 0.000000 )
a(2) = ( 0.508663 0.860966 0.000000 )
a(3) = ( -0.676519 -0.566833 0.470130 )
reciprocal axes: (cart. coord. in units 2 pi/alat)
b(1) = ( 1.000000 -0.590806 0.726673 )
b(2) = ( 0.000000 1.161487 1.400400 )
b(3) = ( 0.000000 0.000000 2.127072 )
PseudoPot. # 1 for Ge read from file:
/home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF
MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78
Pseudo is Ultrasoft + core correction, Zval = 4.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1207 points, 6 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
Q(r) pseudized with 0 coefficients
PseudoPot. # 2 for Se read from file:
/home/autes/Pseudo/Se_MT_PBE.UPF
MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307
Pseudo is Norm-conserving, Zval = 6.0
Generated using "atomic" code by A. Dal Corso (espresso distribution)
Using radial grid of 1211 points, 3 beta functions with:
l(1) = 0
l(2) = 1
l(3) = 1
PseudoPot. # 3 for Cu read from file:
/home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF
MD5 check sum: bfb9b73be46f5385f72b338ff57911ad
Pseudo is Ultrasoft + core correction, Zval = 11.0
Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656
Using radial grid of 1199 points, 10 beta functions with:
l(1) = 0
l(2) = 0
l(3) = 1
l(4) = 1
l(5) = 1
l(6) = 1
l(7) = 2
l(8) = 2
l(9) = 2
l(10) = 2
Q(r) pseudized with 0 coefficients
atomic species valence mass pseudopotential
Ge 4.00 72.64000 Ge( 1.00)
Se 6.00 78.96000 Se( 1.00)
Cu 11.00 63.54600 Cu( 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:
E 1
-E -1
Cartesian axes
number of k points= 358 Fermi-Dirac smearing, width (Ry)= 0.0010
cart. coord. in units 2pi/alat
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933
k( 2) = ( -0.0061737 0.0108181 0.0172912), wk = 0.0027933
k( 3) = ( -0.0123473 0.0216362 0.0345824), wk = 0.0027933
k( 4) = ( -0.0185210 0.0324542 0.0518737), wk = 0.0027933
k( 5) = ( -0.0246947 0.0432723 0.0691649), wk = 0.0027933
k( 6) = ( -0.0308684 0.0540904 0.0864561), wk = 0.0027933
k( 7) = ( -0.0370420 0.0649085 0.1037473), wk = 0.0027933
k( 8) = ( -0.0432157 0.0757266 0.1210385), wk = 0.0027933
k( 9) = ( -0.0493894 0.0865446 0.1383297), wk = 0.0027933
k( 10) = ( -0.0555631 0.0973627 0.1556210), wk = 0.0027933
k( 11) = ( -0.0617367 0.1081808 0.1729122), wk = 0.0027933
k( 12) = ( -0.0679104 0.1189989 0.1902034), wk = 0.0027933
k( 13) = ( -0.0740841 0.1298170 0.2074946), wk = 0.0027933
k( 14) = ( -0.0802578 0.1406350 0.2247858), wk = 0.0027933
k( 15) = ( -0.0864314 0.1514531 0.2420770), wk = 0.0027933
k( 16) = ( -0.0926051 0.1622712 0.2593683), wk = 0.0027933
k( 17) = ( -0.0987788 0.1730893 0.2766595), wk = 0.0027933
k( 18) = ( -0.1049524 0.1839074 0.2939507), wk = 0.0027933
k( 19) = ( -0.1111261 0.1947254 0.3112419), wk = 0.0027933
k( 20) = ( -0.1172998 0.2055435 0.3285331), wk = 0.0027933
k( 21) = ( -0.1234735 0.2163616 0.3458244), wk = 0.0027933
k( 22) = ( -0.1296471 0.2271797 0.3631156), wk = 0.0027933
k( 23) = ( -0.1358208 0.2379978 0.3804068), wk = 0.0027933
k( 24) = ( -0.1419945 0.2488158 0.3976980), wk = 0.0027933
k( 25) = ( -0.1481681 0.2596339 0.4149892), wk = 0.0027933
k( 26) = ( -0.1543418 0.2704520 0.4322804), wk = 0.0027933
k( 27) = ( -0.1605155 0.2812701 0.4495717), wk = 0.0027933
k( 28) = ( -0.1666892 0.2920882 0.4668629), wk = 0.0027933
k( 29) = ( -0.1728628 0.3029062 0.4841541), wk = 0.0027933
k( 30) = ( -0.1790365 0.3137243 0.5014453), wk = 0.0027933
k( 31) = ( -0.1852102 0.3245424 0.5187365), wk = 0.0027933
k( 32) = ( -0.1913839 0.3353605 0.5360277), wk = 0.0027933
k( 33) = ( -0.1975575 0.3461786 0.5533190), wk = 0.0027933
k( 34) = ( -0.2037312 0.3569966 0.5706102), wk = 0.0027933
k( 35) = ( -0.2099049 0.3678147 0.5879014), wk = 0.0027933
k( 36) = ( -0.2160786 0.3786328 0.6051926), wk = 0.0027933
k( 37) = ( -0.2222522 0.3894509 0.6224838), wk = 0.0027933
k( 38) = ( -0.2284259 0.4002689 0.6397751), wk = 0.0027933
k( 39) = ( -0.2345996 0.4110870 0.6570663), wk = 0.0027933
k( 40) = ( -0.2407732 0.4219051 0.6743575), wk = 0.0027933
k( 41) = ( -0.2469469 0.4327232 0.6916487), wk = 0.0027933
k( 42) = ( -0.2531206 0.4435413 0.7089399), wk = 0.0027933
k( 43) = ( -0.2592943 0.4543593 0.7262311), wk = 0.0027933
k( 44) = ( -0.2654679 0.4651774 0.7435224), wk = 0.0027933
k( 45) = ( -0.2716416 0.4759955 0.7608136), wk = 0.0027933
k( 46) = ( -0.2778153 0.4868136 0.7781048), wk = 0.0027933
k( 47) = ( -0.2778153 0.4868136 0.7781048), wk = 0.0027933
k( 48) = ( -0.2692763 0.4718508 0.7905148), wk = 0.0027933
k( 49) = ( -0.2607374 0.4568881 0.8029249), wk = 0.0027933
k( 50) = ( -0.2521984 0.4419253 0.8153350), wk = 0.0027933
k( 51) = ( -0.2436594 0.4269626 0.8277450), wk = 0.0027933
k( 52) = ( -0.2351205 0.4119998 0.8401551), wk = 0.0027933
k( 53) = ( -0.2265815 0.3970371 0.8525651), wk = 0.0027933
k( 54) = ( -0.2180426 0.3820743 0.8649752), wk = 0.0027933
k( 55) = ( -0.2095036 0.3671116 0.8773853), wk = 0.0027933
k( 56) = ( -0.2009646 0.3521488 0.8897953), wk = 0.0027933
k( 57) = ( -0.1924257 0.3371861 0.9022054), wk = 0.0027933
k( 58) = ( -0.1838867 0.3222233 0.9146154), wk = 0.0027933
k( 59) = ( -0.1753478 0.3072605 0.9270255), wk = 0.0027933
k( 60) = ( -0.1668088 0.2922978 0.9394355), wk = 0.0027933
k( 61) = ( -0.1582698 0.2773350 0.9518456), wk = 0.0027933
k( 62) = ( -0.1497309 0.2623723 0.9642557), wk = 0.0027933
k( 63) = ( -0.1411919 0.2474095 0.9766657), wk = 0.0027933
k( 64) = ( -0.1326530 0.2324468 0.9890758), wk = 0.0027933
k( 65) = ( -0.1241140 0.2174840 1.0014858), wk = 0.0027933
k( 66) = ( -0.1155750 0.2025213 1.0138959), wk = 0.0027933
k( 67) = ( -0.1070361 0.1875585 1.0263059), wk = 0.0027933
k( 68) = ( -0.0984971 0.1725958 1.0387160), wk = 0.0027933
k( 69) = ( -0.0899582 0.1576330 1.0511260), wk = 0.0027933
k( 70) = ( -0.0814192 0.1426703 1.0635361), wk = 0.0027933
k( 71) = ( -0.0814192 0.1426703 1.0635361), wk = 0.0027933
k( 72) = ( -0.0712418 0.1248365 1.0635361), wk = 0.0027933
k( 73) = ( -0.0610644 0.1070027 1.0635361), wk = 0.0027933
k( 74) = ( -0.0508870 0.0891689 1.0635361), wk = 0.0027933
k( 75) = ( -0.0407096 0.0713351 1.0635361), wk = 0.0027933
k( 76) = ( -0.0305322 0.0535013 1.0635361), wk = 0.0027933
k( 77) = ( -0.0203548 0.0356676 1.0635361), wk = 0.0027933
k( 78) = ( -0.0101774 0.0178338 1.0635361), wk = 0.0027933
k( 79) = ( 0.0000000 0.0000000 1.0635361), wk = 0.0027933
k( 80) = ( 0.0000000 0.0000000 1.0635361), wk = 0.0027933
k( 81) = ( 0.0178571 0.0101907 1.0635361), wk = 0.0027933
k( 82) = ( 0.0357143 0.0203815 1.0635361), wk = 0.0027933
k( 83) = ( 0.0535714 0.0305722 1.0635361), wk = 0.0027933
k( 84) = ( 0.0714286 0.0407629 1.0635361), wk = 0.0027933
k( 85) = ( 0.0892857 0.0509537 1.0635361), wk = 0.0027933
k( 86) = ( 0.1071429 0.0611444 1.0635361), wk = 0.0027933
k( 87) = ( 0.1250000 0.0713351 1.0635361), wk = 0.0027933
k( 88) = ( 0.1428571 0.0815259 1.0635361), wk = 0.0027933
k( 89) = ( 0.1607143 0.0917166 1.0635361), wk = 0.0027933
k( 90) = ( 0.1785714 0.1019073 1.0635361), wk = 0.0027933
k( 91) = ( 0.1964286 0.1120981 1.0635361), wk = 0.0027933
k( 92) = ( 0.2142857 0.1222888 1.0635361), wk = 0.0027933
k( 93) = ( 0.2321429 0.1324795 1.0635361), wk = 0.0027933
k( 94) = ( 0.2500000 0.1426703 1.0635361), wk = 0.0027933
k( 95) = ( 0.2500000 0.1426703 1.0635361), wk = 0.0027933
k( 96) = ( 0.2413793 0.1577762 1.0510073), wk = 0.0027933
k( 97) = ( 0.2327586 0.1728822 1.0384784), wk = 0.0027933
k( 98) = ( 0.2241379 0.1879882 1.0259496), wk = 0.0027933
k( 99) = ( 0.2155172 0.2030941 1.0134208), wk = 0.0027933
k( 100) = ( 0.2068966 0.2182001 1.0008919), wk = 0.0027933
k( 101) = ( 0.1982759 0.2333061 0.9883631), wk = 0.0027933
k( 102) = ( 0.1896552 0.2484120 0.9758342), wk = 0.0027933
k( 103) = ( 0.1810345 0.2635180 0.9633054), wk = 0.0027933
k( 104) = ( 0.1724138 0.2786240 0.9507766), wk = 0.0027933
k( 105) = ( 0.1637931 0.2937299 0.9382477), wk = 0.0027933
k( 106) = ( 0.1551724 0.3088359 0.9257189), wk = 0.0027933
k( 107) = ( 0.1465517 0.3239419 0.9131900), wk = 0.0027933
k( 108) = ( 0.1379310 0.3390479 0.9006612), wk = 0.0027933
k( 109) = ( 0.1293103 0.3541538 0.8881324), wk = 0.0027933
k( 110) = ( 0.1206897 0.3692598 0.8756035), wk = 0.0027933
k( 111) = ( 0.1120690 0.3843657 0.8630747), wk = 0.0027933
k( 112) = ( 0.1034483 0.3994717 0.8505458), wk = 0.0027933
k( 113) = ( 0.0948276 0.4145777 0.8380170), wk = 0.0027933
k( 114) = ( 0.0862069 0.4296836 0.8254882), wk = 0.0027933
k( 115) = ( 0.0775862 0.4447896 0.8129593), wk = 0.0027933
k( 116) = ( 0.0689655 0.4598956 0.8004305), wk = 0.0027933
k( 117) = ( 0.0603448 0.4750016 0.7879017), wk = 0.0027933
k( 118) = ( 0.0517241 0.4901075 0.7753728), wk = 0.0027933
k( 119) = ( 0.0431035 0.5052135 0.7628440), wk = 0.0027933
k( 120) = ( 0.0344828 0.5203195 0.7503151), wk = 0.0027933
k( 121) = ( 0.0258621 0.5354254 0.7377863), wk = 0.0027933
k( 122) = ( 0.0172414 0.5505314 0.7252575), wk = 0.0027933
k( 123) = ( 0.0086207 0.5656374 0.7127286), wk = 0.0027933
k( 124) = ( 0.0000000 0.5807433 0.7001998), wk = 0.0027933
k( 125) = ( 0.0000000 0.5807433 0.7001998), wk = 0.0027933
k( 126) = ( 0.0198439 0.5874526 0.6946351), wk = 0.0027933
k( 127) = ( 0.0396879 0.5941619 0.6890705), wk = 0.0027933
k( 128) = ( 0.0595318 0.6008711 0.6835058), wk = 0.0027933
k( 129) = ( 0.0793758 0.6075804 0.6779412), wk = 0.0027933
k( 130) = ( 0.0992197 0.6142897 0.6723766), wk = 0.0027933
k( 131) = ( 0.1190637 0.6209989 0.6668119), wk = 0.0027933
k( 132) = ( 0.1389076 0.6277082 0.6612473), wk = 0.0027933
k( 133) = ( 0.1587516 0.6344175 0.6556826), wk = 0.0027933
k( 134) = ( 0.1785955 0.6411267 0.6501180), wk = 0.0027933
k( 135) = ( 0.1984395 0.6478360 0.6445533), wk = 0.0027933
k( 136) = ( 0.2182834 0.6545453 0.6389887), wk = 0.0027933
k( 137) = ( 0.2381274 0.6612545 0.6334240), wk = 0.0027933
k( 138) = ( 0.2579713 0.6679638 0.6278594), wk = 0.0027933
k( 139) = ( 0.2778153 0.6746731 0.6222948), wk = 0.0027933
k( 140) = ( 0.2778153 0.6746731 0.6222948), wk = 0.0027933
k( 141) = ( 0.2839871 0.6638583 0.6050088), wk = 0.0027933
k( 142) = ( 0.2901589 0.6530435 0.5877228), wk = 0.0027933
k( 143) = ( 0.2963307 0.6422287 0.5704368), wk = 0.0027933
k( 144) = ( 0.3025025 0.6314139 0.5531509), wk = 0.0027933
k( 145) = ( 0.3086743 0.6205991 0.5358649), wk = 0.0027933
k( 146) = ( 0.3148461 0.6097843 0.5185790), wk = 0.0027933
k( 147) = ( 0.3210179 0.5989695 0.5012930), wk = 0.0027933
k( 148) = ( 0.3271897 0.5881547 0.4840070), wk = 0.0027933
k( 149) = ( 0.3333615 0.5773400 0.4667211), wk = 0.0027933
k( 150) = ( 0.3395333 0.5665252 0.4494351), wk = 0.0027933
k( 151) = ( 0.3457051 0.5557104 0.4321491), wk = 0.0027933
k( 152) = ( 0.3518769 0.5448956 0.4148632), wk = 0.0027933
k( 153) = ( 0.3580487 0.5340808 0.3975772), wk = 0.0027933
k( 154) = ( 0.3642204 0.5232660 0.3802912), wk = 0.0027933
k( 155) = ( 0.3703922 0.5124512 0.3630053), wk = 0.0027933
k( 156) = ( 0.3765640 0.5016364 0.3457193), wk = 0.0027933
k( 157) = ( 0.3827358 0.4908216 0.3284334), wk = 0.0027933
k( 158) = ( 0.3889076 0.4800068 0.3111474), wk = 0.0027933
k( 159) = ( 0.3950794 0.4691920 0.2938614), wk = 0.0027933
k( 160) = ( 0.4012512 0.4583772 0.2765754), wk = 0.0027933
k( 161) = ( 0.4074230 0.4475624 0.2592895), wk = 0.0027933
k( 162) = ( 0.4135948 0.4367476 0.2420035), wk = 0.0027933
k( 163) = ( 0.4197666 0.4259328 0.2247175), wk = 0.0027933
k( 164) = ( 0.4259384 0.4151180 0.2074316), wk = 0.0027933
k( 165) = ( 0.4321102 0.4043032 0.1901456), wk = 0.0027933
k( 166) = ( 0.4382820 0.3934885 0.1728597), wk = 0.0027933
k( 167) = ( 0.4444538 0.3826737 0.1555737), wk = 0.0027933
k( 168) = ( 0.4506256 0.3718589 0.1382877), wk = 0.0027933
k( 169) = ( 0.4567974 0.3610441 0.1210017), wk = 0.0027933
k( 170) = ( 0.4629692 0.3502293 0.1037158), wk = 0.0027933
k( 171) = ( 0.4691410 0.3394145 0.0864298), wk = 0.0027933
k( 172) = ( 0.4753128 0.3285997 0.0691439), wk = 0.0027933
k( 173) = ( 0.4814846 0.3177849 0.0518579), wk = 0.0027933
k( 174) = ( 0.4876564 0.3069701 0.0345719), wk = 0.0027933
k( 175) = ( 0.4938282 0.2961553 0.0172860), wk = 0.0027933
k( 176) = ( 0.5000000 0.2853405 0.0000000), wk = 0.0027933
k( 177) = ( 0.5000000 0.2853405 0.0000000), wk = 0.0027933
k( 178) = ( 0.4814815 0.2747724 0.0000000), wk = 0.0027933
k( 179) = ( 0.4629630 0.2642042 0.0000000), wk = 0.0027933
k( 180) = ( 0.4444444 0.2536360 0.0000000), wk = 0.0027933
k( 181) = ( 0.4259259 0.2430679 0.0000000), wk = 0.0027933
k( 182) = ( 0.4074074 0.2324997 0.0000000), wk = 0.0027933
k( 183) = ( 0.3888889 0.2219315 0.0000000), wk = 0.0027933
k( 184) = ( 0.3703704 0.2113633 0.0000000), wk = 0.0027933
k( 185) = ( 0.3518519 0.2007952 0.0000000), wk = 0.0027933
k( 186) = ( 0.3333333 0.1902270 0.0000000), wk = 0.0027933
k( 187) = ( 0.3148148 0.1796588 0.0000000), wk = 0.0027933
k( 188) = ( 0.2962963 0.1690907 0.0000000), wk = 0.0027933
k( 189) = ( 0.2777778 0.1585225 0.0000000), wk = 0.0027933
k( 190) = ( 0.2592593 0.1479543 0.0000000), wk = 0.0027933
k( 191) = ( 0.2407407 0.1373862 0.0000000), wk = 0.0027933
k( 192) = ( 0.2222222 0.1268180 0.0000000), wk = 0.0027933
k( 193) = ( 0.2037037 0.1162498 0.0000000), wk = 0.0027933
k( 194) = ( 0.1851852 0.1056817 0.0000000), wk = 0.0027933
k( 195) = ( 0.1666667 0.0951135 0.0000000), wk = 0.0027933
k( 196) = ( 0.1481482 0.0845453 0.0000000), wk = 0.0027933
k( 197) = ( 0.1296296 0.0739772 0.0000000), wk = 0.0027933
k( 198) = ( 0.1111111 0.0634090 0.0000000), wk = 0.0027933
k( 199) = ( 0.0925926 0.0528408 0.0000000), wk = 0.0027933
k( 200) = ( 0.0740741 0.0422727 0.0000000), wk = 0.0027933
k( 201) = ( 0.0555556 0.0317045 0.0000000), wk = 0.0027933
k( 202) = ( 0.0370370 0.0211363 0.0000000), wk = 0.0027933
k( 203) = ( 0.0185185 0.0105682 0.0000000), wk = 0.0027933
k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933
k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933
k( 206) = ( 0.0086744 -0.0152001 0.0126069), wk = 0.0027933
k( 207) = ( 0.0173488 -0.0304002 0.0252138), wk = 0.0027933
k( 208) = ( 0.0260232 -0.0456002 0.0378207), wk = 0.0027933
k( 209) = ( 0.0346976 -0.0608003 0.0504276), wk = 0.0027933
k( 210) = ( 0.0433720 -0.0760004 0.0630345), wk = 0.0027933
k( 211) = ( 0.0520464 -0.0912005 0.0756414), wk = 0.0027933
k( 212) = ( 0.0607208 -0.1064006 0.0882483), wk = 0.0027933
k( 213) = ( 0.0693952 -0.1216006 0.1008552), wk = 0.0027933
k( 214) = ( 0.0780696 -0.1368007 0.1134621), wk = 0.0027933
k( 215) = ( 0.0867440 -0.1520008 0.1260690), wk = 0.0027933
k( 216) = ( 0.0954184 -0.1672009 0.1386759), wk = 0.0027933
k( 217) = ( 0.1040928 -0.1824010 0.1512828), wk = 0.0027933
k( 218) = ( 0.1127672 -0.1976010 0.1638896), wk = 0.0027933
k( 219) = ( 0.1214416 -0.2128011 0.1764965), wk = 0.0027933
k( 220) = ( 0.1301160 -0.2280012 0.1891034), wk = 0.0027933
k( 221) = ( 0.1387904 -0.2432013 0.2017103), wk = 0.0027933
k( 222) = ( 0.1474648 -0.2584014 0.2143172), wk = 0.0027933
k( 223) = ( 0.1561392 -0.2736014 0.2269241), wk = 0.0027933
k( 224) = ( 0.1648136 -0.2888015 0.2395310), wk = 0.0027933
k( 225) = ( 0.1734880 -0.3040016 0.2521379), wk = 0.0027933
k( 226) = ( 0.1821624 -0.3192017 0.2647448), wk = 0.0027933
k( 227) = ( 0.1908368 -0.3344018 0.2773517), wk = 0.0027933
k( 228) = ( 0.1995111 -0.3496019 0.2899586), wk = 0.0027933
k( 229) = ( 0.2081855 -0.3648019 0.3025655), wk = 0.0027933
k( 230) = ( 0.2168599 -0.3800020 0.3151724), wk = 0.0027933
k( 231) = ( 0.2255343 -0.3952021 0.3277793), wk = 0.0027933
k( 232) = ( 0.2342087 -0.4104022 0.3403862), wk = 0.0027933
k( 233) = ( 0.2428831 -0.4256023 0.3529931), wk = 0.0027933
k( 234) = ( 0.2515575 -0.4408023 0.3656000), wk = 0.0027933
k( 235) = ( 0.2602319 -0.4560024 0.3782069), wk = 0.0027933
k( 236) = ( 0.2689063 -0.4712025 0.3908138), wk = 0.0027933
k( 237) = ( 0.2775807 -0.4864026 0.4034207), wk = 0.0027933
k( 238) = ( 0.2862551 -0.5016027 0.4160276), wk = 0.0027933
k( 239) = ( 0.2949295 -0.5168027 0.4286345), wk = 0.0027933
k( 240) = ( 0.3036039 -0.5320028 0.4412414), wk = 0.0027933
k( 241) = ( 0.3036039 -0.5320028 0.4412414), wk = 0.0027933
k( 242) = ( 0.3166970 -0.5162295 0.4360477), wk = 0.0027933
k( 243) = ( 0.3297901 -0.5004562 0.4308540), wk = 0.0027933
k( 244) = ( 0.3428831 -0.4846828 0.4256603), wk = 0.0027933
k( 245) = ( 0.3559762 -0.4689095 0.4204667), wk = 0.0027933
k( 246) = ( 0.3690693 -0.4531362 0.4152730), wk = 0.0027933
k( 247) = ( 0.3821624 -0.4373628 0.4100794), wk = 0.0027933
k( 248) = ( 0.3952554 -0.4215895 0.4048857), wk = 0.0027933
k( 249) = ( 0.4083485 -0.4058162 0.3996920), wk = 0.0027933
k( 250) = ( 0.4214416 -0.3900428 0.3944983), wk = 0.0027933
k( 251) = ( 0.4345346 -0.3742695 0.3893047), wk = 0.0027933
k( 252) = ( 0.4476277 -0.3584962 0.3841110), wk = 0.0027933
k( 253) = ( 0.4607208 -0.3427228 0.3789173), wk = 0.0027933
k( 254) = ( 0.4738139 -0.3269495 0.3737237), wk = 0.0027933
k( 255) = ( 0.4869069 -0.3111761 0.3685300), wk = 0.0027933
k( 256) = ( 0.5000000 -0.2954028 0.3633363), wk = 0.0027933
k( 257) = ( 0.5000000 -0.2954028 0.3633363), wk = 0.0027933
k( 258) = ( 0.4937500 -0.2844510 0.3808413), wk = 0.0027933
k( 259) = ( 0.4875000 -0.2734992 0.3983463), wk = 0.0027933
k( 260) = ( 0.4812500 -0.2625473 0.4158513), wk = 0.0027933
k( 261) = ( 0.4750000 -0.2515955 0.4333563), wk = 0.0027933
k( 262) = ( 0.4687500 -0.2406437 0.4508613), wk = 0.0027933
k( 263) = ( 0.4625000 -0.2296919 0.4683663), wk = 0.0027933
k( 264) = ( 0.4562500 -0.2187400 0.4858713), wk = 0.0027933
k( 265) = ( 0.4500000 -0.2077882 0.5033763), wk = 0.0027933
k( 266) = ( 0.4437500 -0.1968364 0.5208813), wk = 0.0027933
k( 267) = ( 0.4375000 -0.1858845 0.5383863), wk = 0.0027933
k( 268) = ( 0.4312500 -0.1749327 0.5558913), wk = 0.0027933
k( 269) = ( 0.4250000 -0.1639809 0.5733963), wk = 0.0027933
k( 270) = ( 0.4187500 -0.1530291 0.5909013), wk = 0.0027933
k( 271) = ( 0.4125000 -0.1420772 0.6084063), wk = 0.0027933
k( 272) = ( 0.4062500 -0.1311254 0.6259113), wk = 0.0027933
k( 273) = ( 0.4000000 -0.1201736 0.6434162), wk = 0.0027933
k( 274) = ( 0.3937500 -0.1092218 0.6609212), wk = 0.0027933
k( 275) = ( 0.3875000 -0.0982699 0.6784262), wk = 0.0027933
k( 276) = ( 0.3812500 -0.0873181 0.6959312), wk = 0.0027933
k( 277) = ( 0.3750000 -0.0763663 0.7134362), wk = 0.0027933
k( 278) = ( 0.3687500 -0.0654145 0.7309412), wk = 0.0027933
k( 279) = ( 0.3625000 -0.0544626 0.7484462), wk = 0.0027933
k( 280) = ( 0.3562500 -0.0435108 0.7659512), wk = 0.0027933
k( 281) = ( 0.3500000 -0.0325590 0.7834562), wk = 0.0027933
k( 282) = ( 0.3437500 -0.0216071 0.8009612), wk = 0.0027933
k( 283) = ( 0.3375000 -0.0106553 0.8184662), wk = 0.0027933
k( 284) = ( 0.3312500 0.0002965 0.8359712), wk = 0.0027933
k( 285) = ( 0.3250000 0.0112483 0.8534762), wk = 0.0027933
k( 286) = ( 0.3187500 0.0222002 0.8709812), wk = 0.0027933
k( 287) = ( 0.3125000 0.0331520 0.8884862), wk = 0.0027933
k( 288) = ( 0.3062500 0.0441038 0.9059912), wk = 0.0027933
k( 289) = ( 0.3000000 0.0550556 0.9234962), wk = 0.0027933
k( 290) = ( 0.2937500 0.0660075 0.9410012), wk = 0.0027933
k( 291) = ( 0.2875000 0.0769593 0.9585061), wk = 0.0027933
k( 292) = ( 0.2812500 0.0879111 0.9760111), wk = 0.0027933
k( 293) = ( 0.2750000 0.0988630 0.9935161), wk = 0.0027933
k( 294) = ( 0.2687500 0.1098148 1.0110211), wk = 0.0027933
k( 295) = ( 0.2625000 0.1207666 1.0285261), wk = 0.0027933
k( 296) = ( 0.2562500 0.1317184 1.0460311), wk = 0.0027933
k( 297) = ( 0.2500000 0.1426703 1.0635361), wk = 0.0027933
k( 298) = ( 0.0814192 -0.1426703 1.0635361), wk = 0.0027933
k( 299) = ( 0.0875910 -0.1534851 1.0462502), wk = 0.0027933
k( 300) = ( 0.0937628 -0.1642999 1.0289642), wk = 0.0027933
k( 301) = ( 0.0999346 -0.1751146 1.0116782), wk = 0.0027933
k( 302) = ( 0.1061064 -0.1859294 0.9943922), wk = 0.0027933
k( 303) = ( 0.1122782 -0.1967442 0.9771063), wk = 0.0027933
k( 304) = ( 0.1184500 -0.2075590 0.9598203), wk = 0.0027933
k( 305) = ( 0.1246218 -0.2183738 0.9425343), wk = 0.0027933
k( 306) = ( 0.1307936 -0.2291886 0.9252484), wk = 0.0027933
k( 307) = ( 0.1369654 -0.2400034 0.9079624), wk = 0.0027933
k( 308) = ( 0.1431372 -0.2508182 0.8906765), wk = 0.0027933
k( 309) = ( 0.1493090 -0.2616330 0.8733905), wk = 0.0027933
k( 310) = ( 0.1554808 -0.2724478 0.8561045), wk = 0.0027933
k( 311) = ( 0.1616526 -0.2832626 0.8388186), wk = 0.0027933
k( 312) = ( 0.1678244 -0.2940774 0.8215326), wk = 0.0027933
k( 313) = ( 0.1739962 -0.3048922 0.8042466), wk = 0.0027933
k( 314) = ( 0.1801680 -0.3157070 0.7869607), wk = 0.0027933
k( 315) = ( 0.1863398 -0.3265217 0.7696747), wk = 0.0027933
k( 316) = ( 0.1925116 -0.3373365 0.7523887), wk = 0.0027933
k( 317) = ( 0.1986834 -0.3481513 0.7351028), wk = 0.0027933
k( 318) = ( 0.2048552 -0.3589661 0.7178168), wk = 0.0027933
k( 319) = ( 0.2110270 -0.3697809 0.7005308), wk = 0.0027933
k( 320) = ( 0.2171988 -0.3805957 0.6832449), wk = 0.0027933
k( 321) = ( 0.2233706 -0.3914105 0.6659589), wk = 0.0027933
k( 322) = ( 0.2295424 -0.4022253 0.6486729), wk = 0.0027933
k( 323) = ( 0.2357142 -0.4130401 0.6313870), wk = 0.0027933
k( 324) = ( 0.2418859 -0.4238549 0.6141010), wk = 0.0027933
k( 325) = ( 0.2480577 -0.4346697 0.5968151), wk = 0.0027933
k( 326) = ( 0.2542296 -0.4454845 0.5795291), wk = 0.0027933
k( 327) = ( 0.2604013 -0.4562993 0.5622431), wk = 0.0027933
k( 328) = ( 0.2665731 -0.4671141 0.5449572), wk = 0.0027933
k( 329) = ( 0.2727449 -0.4779289 0.5276712), wk = 0.0027933
k( 330) = ( 0.2789167 -0.4887437 0.5103852), wk = 0.0027933
k( 331) = ( 0.2850885 -0.4995585 0.4930992), wk = 0.0027933
k( 332) = ( 0.2912603 -0.5103732 0.4758133), wk = 0.0027933
k( 333) = ( 0.2974321 -0.5211880 0.4585273), wk = 0.0027933
k( 334) = ( 0.3036039 -0.5320028 0.4412414), wk = 0.0027933
k( 335) = ( 0.6963961 -0.0588028 0.2854313), wk = 0.0027933
k( 336) = ( 0.6878571 -0.0438400 0.2730213), wk = 0.0027933
k( 337) = ( 0.6793181 -0.0288773 0.2606112), wk = 0.0027933
k( 338) = ( 0.6707792 -0.0139145 0.2482011), wk = 0.0027933
k( 339) = ( 0.6622402 0.0010482 0.2357911), wk = 0.0027933
k( 340) = ( 0.6537013 0.0160110 0.2233810), wk = 0.0027933
k( 341) = ( 0.6451623 0.0309737 0.2109710), wk = 0.0027933
k( 342) = ( 0.6366234 0.0459365 0.1985609), wk = 0.0027933
k( 343) = ( 0.6280844 0.0608992 0.1861509), wk = 0.0027933
k( 344) = ( 0.6195454 0.0758620 0.1737408), wk = 0.0027933
k( 345) = ( 0.6110065 0.0908247 0.1613307), wk = 0.0027933
k( 346) = ( 0.6024675 0.1057875 0.1489207), wk = 0.0027933
k( 347) = ( 0.5939286 0.1207502 0.1365106), wk = 0.0027933
k( 348) = ( 0.5853896 0.1357130 0.1241006), wk = 0.0027933
k( 349) = ( 0.5768506 0.1506757 0.1116905), wk = 0.0027933
k( 350) = ( 0.5683117 0.1656385 0.0992805), wk = 0.0027933
k( 351) = ( 0.5597727 0.1806012 0.0868704), wk = 0.0027933
k( 352) = ( 0.5512338 0.1955640 0.0744603), wk = 0.0027933
k( 353) = ( 0.5426948 0.2105268 0.0620503), wk = 0.0027933
k( 354) = ( 0.5341558 0.2254895 0.0496402), wk = 0.0027933
k( 355) = ( 0.5256169 0.2404523 0.0372302), wk = 0.0027933
k( 356) = ( 0.5170779 0.2554150 0.0248201), wk = 0.0027933
k( 357) = ( 0.5085390 0.2703778 0.0124101), wk = 0.0027933
k( 358) = ( 0.5000000 0.2853405 0.0000000), wk = 0.0027933
cryst. coord.
k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933
k( 2) = ( -0.0061737 0.0061737 0.0061737), wk = 0.0027933
k( 3) = ( -0.0123473 0.0123473 0.0123473), wk = 0.0027933
k( 4) = ( -0.0185210 0.0185210 0.0185210), wk = 0.0027933
k( 5) = ( -0.0246947 0.0246947 0.0246947), wk = 0.0027933
k( 6) = ( -0.0308684 0.0308684 0.0308684), wk = 0.0027933
k( 7) = ( -0.0370420 0.0370420 0.0370420), wk = 0.0027933
k( 8) = ( -0.0432157 0.0432157 0.0432157), wk = 0.0027933
k( 9) = ( -0.0493894 0.0493894 0.0493894), wk = 0.0027933
k( 10) = ( -0.0555631 0.0555631 0.0555631), wk = 0.0027933
k( 11) = ( -0.0617367 0.0617367 0.0617367), wk = 0.0027933
k( 12) = ( -0.0679104 0.0679104 0.0679104), wk = 0.0027933
k( 13) = ( -0.0740841 0.0740841 0.0740841), wk = 0.0027933
k( 14) = ( -0.0802578 0.0802578 0.0802577), wk = 0.0027933
k( 15) = ( -0.0864314 0.0864314 0.0864314), wk = 0.0027933
k( 16) = ( -0.0926051 0.0926051 0.0926051), wk = 0.0027933
k( 17) = ( -0.0987788 0.0987788 0.0987788), wk = 0.0027933
k( 18) = ( -0.1049524 0.1049524 0.1049524), wk = 0.0027933
k( 19) = ( -0.1111261 0.1111261 0.1111261), wk = 0.0027933
k( 20) = ( -0.1172998 0.1172998 0.1172998), wk = 0.0027933
k( 21) = ( -0.1234735 0.1234735 0.1234735), wk = 0.0027933
k( 22) = ( -0.1296471 0.1296471 0.1296471), wk = 0.0027933
k( 23) = ( -0.1358208 0.1358208 0.1358208), wk = 0.0027933
k( 24) = ( -0.1419945 0.1419945 0.1419945), wk = 0.0027933
k( 25) = ( -0.1481681 0.1481682 0.1481681), wk = 0.0027933
k( 26) = ( -0.1543418 0.1543418 0.1543418), wk = 0.0027933
k( 27) = ( -0.1605155 0.1605155 0.1605155), wk = 0.0027933
k( 28) = ( -0.1666892 0.1666892 0.1666892), wk = 0.0027933
k( 29) = ( -0.1728628 0.1728628 0.1728628), wk = 0.0027933
k( 30) = ( -0.1790365 0.1790365 0.1790365), wk = 0.0027933
k( 31) = ( -0.1852102 0.1852102 0.1852102), wk = 0.0027933
k( 32) = ( -0.1913839 0.1913839 0.1913839), wk = 0.0027933
k( 33) = ( -0.1975575 0.1975575 0.1975575), wk = 0.0027933
k( 34) = ( -0.2037312 0.2037312 0.2037312), wk = 0.0027933
k( 35) = ( -0.2099049 0.2099049 0.2099049), wk = 0.0027933
k( 36) = ( -0.2160786 0.2160786 0.2160786), wk = 0.0027933
k( 37) = ( -0.2222522 0.2222522 0.2222522), wk = 0.0027933
k( 38) = ( -0.2284259 0.2284259 0.2284259), wk = 0.0027933
k( 39) = ( -0.2345996 0.2345996 0.2345996), wk = 0.0027933
k( 40) = ( -0.2407732 0.2407733 0.2407733), wk = 0.0027933
k( 41) = ( -0.2469469 0.2469469 0.2469469), wk = 0.0027933
k( 42) = ( -0.2531206 0.2531206 0.2531206), wk = 0.0027933
k( 43) = ( -0.2592943 0.2592943 0.2592943), wk = 0.0027933
k( 44) = ( -0.2654679 0.2654679 0.2654679), wk = 0.0027933
k( 45) = ( -0.2716416 0.2716416 0.2716416), wk = 0.0027933
k( 46) = ( -0.2778153 0.2778153 0.2778153), wk = 0.0027933
k( 47) = ( -0.2778153 0.2778153 0.2778153), wk = 0.0027933
k( 48) = ( -0.2692763 0.2692763 0.2863542), wk = 0.0027933
k( 49) = ( -0.2607374 0.2607374 0.2948932), wk = 0.0027933
k( 50) = ( -0.2521984 0.2521984 0.3034322), wk = 0.0027933
k( 51) = ( -0.2436594 0.2436594 0.3119711), wk = 0.0027933
k( 52) = ( -0.2351205 0.2351205 0.3205101), wk = 0.0027933
k( 53) = ( -0.2265815 0.2265815 0.3290490), wk = 0.0027933
k( 54) = ( -0.2180426 0.2180426 0.3375880), wk = 0.0027933
k( 55) = ( -0.2095036 0.2095036 0.3461270), wk = 0.0027933
k( 56) = ( -0.2009646 0.2009646 0.3546659), wk = 0.0027933
k( 57) = ( -0.1924257 0.1924257 0.3632049), wk = 0.0027933
k( 58) = ( -0.1838867 0.1838867 0.3717438), wk = 0.0027933
k( 59) = ( -0.1753478 0.1753478 0.3802828), wk = 0.0027933
k( 60) = ( -0.1668088 0.1668088 0.3888218), wk = 0.0027933
k( 61) = ( -0.1582698 0.1582698 0.3973607), wk = 0.0027933
k( 62) = ( -0.1497309 0.1497309 0.4058997), wk = 0.0027933
k( 63) = ( -0.1411919 0.1411919 0.4144386), wk = 0.0027933
k( 64) = ( -0.1326530 0.1326530 0.4229776), wk = 0.0027933
k( 65) = ( -0.1241140 0.1241140 0.4315166), wk = 0.0027933
k( 66) = ( -0.1155750 0.1155751 0.4400555), wk = 0.0027933
k( 67) = ( -0.1070361 0.1070361 0.4485945), wk = 0.0027933
k( 68) = ( -0.0984971 0.0984971 0.4571334), wk = 0.0027933
k( 69) = ( -0.0899582 0.0899582 0.4656724), wk = 0.0027933
k( 70) = ( -0.0814192 0.0814192 0.4742114), wk = 0.0027933
k( 71) = ( -0.0814192 0.0814192 0.4742114), wk = 0.0027933
k( 72) = ( -0.0712418 0.0712418 0.4774349), wk = 0.0027933
k( 73) = ( -0.0610644 0.0610644 0.4806585), wk = 0.0027933
k( 74) = ( -0.0508870 0.0508870 0.4838821), wk = 0.0027933
k( 75) = ( -0.0407096 0.0407096 0.4871057), wk = 0.0027933
k( 76) = ( -0.0305322 0.0305322 0.4903293), wk = 0.0027933
k( 77) = ( -0.0203548 0.0203548 0.4935528), wk = 0.0027933
k( 78) = ( -0.0101774 0.0101774 0.4967764), wk = 0.0027933
k( 79) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933
k( 80) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933
k( 81) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0027933
k( 82) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0027933
k( 83) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0027933
k( 84) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0027933
k( 85) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0027933
k( 86) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0027933
k( 87) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0027933
k( 88) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0027933
k( 89) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0027933
k( 90) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0027933
k( 91) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0027933
k( 92) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0027933
k( 93) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0027933
k( 94) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933
k( 95) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933
k( 96) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0027933
k( 97) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0027933
k( 98) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0027933
k( 99) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0027933
k( 100) = ( 0.2068966 0.2931034 0.2068966), wk = 0.0027933
k( 101) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0027933
k( 102) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0027933
k( 103) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0027933
k( 104) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0027933
k( 105) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0027933
k( 106) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0027933
k( 107) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0027933
k( 108) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0027933
k( 109) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0027933
k( 110) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0027933
k( 111) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0027933
k( 112) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0027933
k( 113) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0027933
k( 114) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0027933
k( 115) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0027933
k( 116) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0027933
k( 117) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0027933
k( 118) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0027933
k( 119) = ( 0.0431035 0.4568966 0.0431035), wk = 0.0027933
k( 120) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0027933
k( 121) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0027933
k( 122) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0027933
k( 123) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0027933
k( 124) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933
k( 125) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933
k( 126) = ( 0.0198439 0.5158703 -0.0198439), wk = 0.0027933
k( 127) = ( 0.0396879 0.5317407 -0.0396879), wk = 0.0027933
k( 128) = ( 0.0595318 0.5476110 -0.0595318), wk = 0.0027933
k( 129) = ( 0.0793758 0.5634814 -0.0793758), wk = 0.0027933
k( 130) = ( 0.0992197 0.5793517 -0.0992197), wk = 0.0027933
k( 131) = ( 0.1190637 0.5952220 -0.1190637), wk = 0.0027933
k( 132) = ( 0.1389076 0.6110924 -0.1389076), wk = 0.0027933
k( 133) = ( 0.1587516 0.6269627 -0.1587516), wk = 0.0027933
k( 134) = ( 0.1785955 0.6428330 -0.1785955), wk = 0.0027933
k( 135) = ( 0.1984395 0.6587034 -0.1984395), wk = 0.0027933
k( 136) = ( 0.2182834 0.6745737 -0.2182834), wk = 0.0027933
k( 137) = ( 0.2381274 0.6904440 -0.2381274), wk = 0.0027933
k( 138) = ( 0.2579713 0.7063144 -0.2579713), wk = 0.0027933
k( 139) = ( 0.2778153 0.7221847 -0.2778153), wk = 0.0027933
k( 140) = ( 0.2778153 0.7221847 -0.2778153), wk = 0.0027933
k( 141) = ( 0.2839871 0.7160129 -0.2839871), wk = 0.0027933
k( 142) = ( 0.2901589 0.7098411 -0.2901589), wk = 0.0027933
k( 143) = ( 0.2963307 0.7036693 -0.2963307), wk = 0.0027933
k( 144) = ( 0.3025025 0.6974975 -0.3025025), wk = 0.0027933
k( 145) = ( 0.3086743 0.6913257 -0.3086743), wk = 0.0027933
k( 146) = ( 0.3148461 0.6851539 -0.3148461), wk = 0.0027933
k( 147) = ( 0.3210179 0.6789821 -0.3210179), wk = 0.0027933
k( 148) = ( 0.3271897 0.6728103 -0.3271897), wk = 0.0027933
k( 149) = ( 0.3333615 0.6666385 -0.3333615), wk = 0.0027933
k( 150) = ( 0.3395333 0.6604667 -0.3395333), wk = 0.0027933
k( 151) = ( 0.3457051 0.6542949 -0.3457051), wk = 0.0027933
k( 152) = ( 0.3518769 0.6481231 -0.3518769), wk = 0.0027933
k( 153) = ( 0.3580487 0.6419514 -0.3580487), wk = 0.0027933
k( 154) = ( 0.3642204 0.6357796 -0.3642205), wk = 0.0027933
k( 155) = ( 0.3703922 0.6296078 -0.3703922), wk = 0.0027933
k( 156) = ( 0.3765640 0.6234359 -0.3765641), wk = 0.0027933
k( 157) = ( 0.3827358 0.6172642 -0.3827358), wk = 0.0027933
k( 158) = ( 0.3889076 0.6110924 -0.3889076), wk = 0.0027933
k( 159) = ( 0.3950794 0.6049206 -0.3950794), wk = 0.0027933
k( 160) = ( 0.4012512 0.5987488 -0.4012512), wk = 0.0027933
k( 161) = ( 0.4074230 0.5925770 -0.4074230), wk = 0.0027933
k( 162) = ( 0.4135948 0.5864052 -0.4135948), wk = 0.0027933
k( 163) = ( 0.4197666 0.5802334 -0.4197666), wk = 0.0027933
k( 164) = ( 0.4259384 0.5740616 -0.4259384), wk = 0.0027933
k( 165) = ( 0.4321102 0.5678898 -0.4321102), wk = 0.0027933
k( 166) = ( 0.4382820 0.5617180 -0.4382820), wk = 0.0027933
k( 167) = ( 0.4444538 0.5555462 -0.4444538), wk = 0.0027933
k( 168) = ( 0.4506256 0.5493744 -0.4506256), wk = 0.0027933
k( 169) = ( 0.4567974 0.5432026 -0.4567974), wk = 0.0027933
k( 170) = ( 0.4629692 0.5370308 -0.4629692), wk = 0.0027933
k( 171) = ( 0.4691410 0.5308590 -0.4691410), wk = 0.0027933
k( 172) = ( 0.4753128 0.5246872 -0.4753128), wk = 0.0027933
k( 173) = ( 0.4814846 0.5185154 -0.4814846), wk = 0.0027933
k( 174) = ( 0.4876564 0.5123436 -0.4876564), wk = 0.0027933
k( 175) = ( 0.4938282 0.5061718 -0.4938282), wk = 0.0027933
k( 176) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933
k( 177) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933
k( 178) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0027933
k( 179) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0027933
k( 180) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0027933
k( 181) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0027933
k( 182) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0027933
k( 183) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0027933
k( 184) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0027933
k( 185) = ( 0.3518519 0.3518519 -0.3518518), wk = 0.0027933
k( 186) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0027933
k( 187) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0027933
k( 188) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0027933
k( 189) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0027933
k( 190) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0027933
k( 191) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0027933
k( 192) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0027933
k( 193) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0027933
k( 194) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0027933
k( 195) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0027933
k( 196) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0027933
k( 197) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0027933
k( 198) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0027933
k( 199) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0027933
k( 200) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0027933
k( 201) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0027933
k( 202) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0027933
k( 203) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0027933
k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933
k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933
k( 206) = ( 0.0086744 -0.0086744 0.0086744), wk = 0.0027933
k( 207) = ( 0.0173488 -0.0173488 0.0173488), wk = 0.0027933
k( 208) = ( 0.0260232 -0.0260232 0.0260232), wk = 0.0027933
k( 209) = ( 0.0346976 -0.0346976 0.0346976), wk = 0.0027933
k( 210) = ( 0.0433720 -0.0433720 0.0433720), wk = 0.0027933
k( 211) = ( 0.0520464 -0.0520464 0.0520464), wk = 0.0027933
k( 212) = ( 0.0607208 -0.0607208 0.0607208), wk = 0.0027933
k( 213) = ( 0.0693952 -0.0693952 0.0693952), wk = 0.0027933
k( 214) = ( 0.0780696 -0.0780696 0.0780696), wk = 0.0027933
k( 215) = ( 0.0867440 -0.0867440 0.0867440), wk = 0.0027933
k( 216) = ( 0.0954184 -0.0954184 0.0954184), wk = 0.0027933
k( 217) = ( 0.1040928 -0.1040928 0.1040928), wk = 0.0027933
k( 218) = ( 0.1127672 -0.1127672 0.1127672), wk = 0.0027933
k( 219) = ( 0.1214416 -0.1214416 0.1214416), wk = 0.0027933
k( 220) = ( 0.1301160 -0.1301160 0.1301160), wk = 0.0027933
k( 221) = ( 0.1387904 -0.1387904 0.1387904), wk = 0.0027933
k( 222) = ( 0.1474648 -0.1474648 0.1474648), wk = 0.0027933
k( 223) = ( 0.1561392 -0.1561392 0.1561392), wk = 0.0027933
k( 224) = ( 0.1648136 -0.1648136 0.1648136), wk = 0.0027933
k( 225) = ( 0.1734880 -0.1734880 0.1734880), wk = 0.0027933
k( 226) = ( 0.1821624 -0.1821624 0.1821624), wk = 0.0027933
k( 227) = ( 0.1908368 -0.1908368 0.1908368), wk = 0.0027933
k( 228) = ( 0.1995111 -0.1995112 0.1995111), wk = 0.0027933
k( 229) = ( 0.2081855 -0.2081856 0.2081855), wk = 0.0027933
k( 230) = ( 0.2168599 -0.2168600 0.2168600), wk = 0.0027933
k( 231) = ( 0.2255343 -0.2255343 0.2255343), wk = 0.0027933
k( 232) = ( 0.2342087 -0.2342088 0.2342088), wk = 0.0027933
k( 233) = ( 0.2428831 -0.2428831 0.2428831), wk = 0.0027933
k( 234) = ( 0.2515575 -0.2515575 0.2515575), wk = 0.0027933
k( 235) = ( 0.2602319 -0.2602319 0.2602319), wk = 0.0027933
k( 236) = ( 0.2689063 -0.2689063 0.2689063), wk = 0.0027933
k( 237) = ( 0.2775807 -0.2775807 0.2775807), wk = 0.0027933
k( 238) = ( 0.2862551 -0.2862551 0.2862551), wk = 0.0027933
k( 239) = ( 0.2949295 -0.2949295 0.2949295), wk = 0.0027933
k( 240) = ( 0.3036039 -0.3036039 0.3036039), wk = 0.0027933
k( 241) = ( 0.3036039 -0.3036039 0.3036039), wk = 0.0027933
k( 242) = ( 0.3166970 -0.2833637 0.2833637), wk = 0.0027933
k( 243) = ( 0.3297901 -0.2631234 0.2631234), wk = 0.0027933
k( 244) = ( 0.3428831 -0.2428831 0.2428831), wk = 0.0027933
k( 245) = ( 0.3559762 -0.2226429 0.2226429), wk = 0.0027933
k( 246) = ( 0.3690693 -0.2024026 0.2024026), wk = 0.0027933
k( 247) = ( 0.3821624 -0.1821624 0.1821624), wk = 0.0027933
k( 248) = ( 0.3952554 -0.1619221 0.1619221), wk = 0.0027933
k( 249) = ( 0.4083485 -0.1416818 0.1416818), wk = 0.0027933
k( 250) = ( 0.4214416 -0.1214416 0.1214416), wk = 0.0027933
k( 251) = ( 0.4345346 -0.1012013 0.1012013), wk = 0.0027933
k( 252) = ( 0.4476277 -0.0809611 0.0809611), wk = 0.0027933
k( 253) = ( 0.4607208 -0.0607208 0.0607208), wk = 0.0027933
k( 254) = ( 0.4738139 -0.0404805 0.0404805), wk = 0.0027933
k( 255) = ( 0.4869069 -0.0202403 0.0202403), wk = 0.0027933
k( 256) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027933
k( 257) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027933
k( 258) = ( 0.4937500 0.0062500 0.0062500), wk = 0.0027933
k( 259) = ( 0.4875000 0.0125000 0.0125000), wk = 0.0027933
k( 260) = ( 0.4812500 0.0187500 0.0187500), wk = 0.0027933
k( 261) = ( 0.4750000 0.0250000 0.0250000), wk = 0.0027933
k( 262) = ( 0.4687500 0.0312500 0.0312500), wk = 0.0027933
k( 263) = ( 0.4625000 0.0375000 0.0375000), wk = 0.0027933
k( 264) = ( 0.4562500 0.0437500 0.0437500), wk = 0.0027933
k( 265) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0027933
k( 266) = ( 0.4437500 0.0562500 0.0562500), wk = 0.0027933
k( 267) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0027933
k( 268) = ( 0.4312500 0.0687500 0.0687500), wk = 0.0027933
k( 269) = ( 0.4250000 0.0750000 0.0750000), wk = 0.0027933
k( 270) = ( 0.4187500 0.0812500 0.0812500), wk = 0.0027933
k( 271) = ( 0.4125000 0.0875000 0.0875000), wk = 0.0027933
k( 272) = ( 0.4062500 0.0937500 0.0937500), wk = 0.0027933
k( 273) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0027933
k( 274) = ( 0.3937500 0.1062500 0.1062500), wk = 0.0027933
k( 275) = ( 0.3875000 0.1125000 0.1125000), wk = 0.0027933
k( 276) = ( 0.3812500 0.1187500 0.1187500), wk = 0.0027933
k( 277) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0027933
k( 278) = ( 0.3687500 0.1312500 0.1312500), wk = 0.0027933
k( 279) = ( 0.3625000 0.1375000 0.1375000), wk = 0.0027933
k( 280) = ( 0.3562500 0.1437500 0.1437500), wk = 0.0027933
k( 281) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0027933
k( 282) = ( 0.3437500 0.1562500 0.1562500), wk = 0.0027933
k( 283) = ( 0.3375000 0.1625000 0.1625000), wk = 0.0027933
k( 284) = ( 0.3312500 0.1687500 0.1687500), wk = 0.0027933
k( 285) = ( 0.3250000 0.1750000 0.1750000), wk = 0.0027933
k( 286) = ( 0.3187500 0.1812500 0.1812500), wk = 0.0027933
k( 287) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0027933
k( 288) = ( 0.3062500 0.1937500 0.1937500), wk = 0.0027933
k( 289) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0027933
k( 290) = ( 0.2937500 0.2062500 0.2062500), wk = 0.0027933
k( 291) = ( 0.2875000 0.2125000 0.2125000), wk = 0.0027933
k( 292) = ( 0.2812500 0.2187500 0.2187500), wk = 0.0027933
k( 293) = ( 0.2750000 0.2250000 0.2250000), wk = 0.0027933
k( 294) = ( 0.2687500 0.2312500 0.2312500), wk = 0.0027933
k( 295) = ( 0.2625000 0.2375000 0.2375000), wk = 0.0027933
k( 296) = ( 0.2562500 0.2437500 0.2437500), wk = 0.0027933
k( 297) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933
k( 298) = ( 0.0814192 -0.0814192 0.5257887), wk = 0.0027933
k( 299) = ( 0.0875910 -0.0875910 0.5196169), wk = 0.0027933
k( 300) = ( 0.0937628 -0.0937628 0.5134451), wk = 0.0027933
k( 301) = ( 0.0999346 -0.0999346 0.5072733), wk = 0.0027933
k( 302) = ( 0.1061064 -0.1061064 0.5011015), wk = 0.0027933
k( 303) = ( 0.1122782 -0.1122782 0.4949297), wk = 0.0027933
k( 304) = ( 0.1184500 -0.1184500 0.4887579), wk = 0.0027933
k( 305) = ( 0.1246218 -0.1246218 0.4825861), wk = 0.0027933
k( 306) = ( 0.1307936 -0.1307936 0.4764143), wk = 0.0027933
k( 307) = ( 0.1369654 -0.1369654 0.4702425), wk = 0.0027933
k( 308) = ( 0.1431372 -0.1431372 0.4640707), wk = 0.0027933
k( 309) = ( 0.1493090 -0.1493090 0.4578989), wk = 0.0027933
k( 310) = ( 0.1554808 -0.1554808 0.4517271), wk = 0.0027933
k( 311) = ( 0.1616526 -0.1616526 0.4455553), wk = 0.0027933
k( 312) = ( 0.1678244 -0.1678244 0.4393835), wk = 0.0027933
k( 313) = ( 0.1739962 -0.1739962 0.4332117), wk = 0.0027933
k( 314) = ( 0.1801680 -0.1801680 0.4270399), wk = 0.0027933
k( 315) = ( 0.1863398 -0.1863398 0.4208681), wk = 0.0027933
k( 316) = ( 0.1925116 -0.1925116 0.4146963), wk = 0.0027933
k( 317) = ( 0.1986834 -0.1986834 0.4085245), wk = 0.0027933
k( 318) = ( 0.2048552 -0.2048552 0.4023527), wk = 0.0027933
k( 319) = ( 0.2110270 -0.2110270 0.3961809), wk = 0.0027933
k( 320) = ( 0.2171988 -0.2171988 0.3900091), wk = 0.0027933
k( 321) = ( 0.2233706 -0.2233706 0.3838373), wk = 0.0027933
k( 322) = ( 0.2295424 -0.2295424 0.3776655), wk = 0.0027933
k( 323) = ( 0.2357142 -0.2357142 0.3714937), wk = 0.0027933
k( 324) = ( 0.2418859 -0.2418859 0.3653219), wk = 0.0027933
k( 325) = ( 0.2480577 -0.2480578 0.3591501), wk = 0.0027933
k( 326) = ( 0.2542296 -0.2542296 0.3529783), wk = 0.0027933
k( 327) = ( 0.2604013 -0.2604013 0.3468065), wk = 0.0027933
k( 328) = ( 0.2665731 -0.2665731 0.3406347), wk = 0.0027933
k( 329) = ( 0.2727449 -0.2727449 0.3344629), wk = 0.0027933
k( 330) = ( 0.2789167 -0.2789167 0.3282911), wk = 0.0027933
k( 331) = ( 0.2850885 -0.2850885 0.3221193), wk = 0.0027933
k( 332) = ( 0.2912603 -0.2912603 0.3159475), wk = 0.0027933
k( 333) = ( 0.2974321 -0.2974321 0.3097757), wk = 0.0027933
k( 334) = ( 0.3036039 -0.3036039 0.3036039), wk = 0.0027933
k( 335) = ( 0.6963961 0.3036039 -0.3036039), wk = 0.0027933
k( 336) = ( 0.6878571 0.3121429 -0.3121429), wk = 0.0027933
k( 337) = ( 0.6793181 0.3206819 -0.3206818), wk = 0.0027933
k( 338) = ( 0.6707792 0.3292208 -0.3292208), wk = 0.0027933
k( 339) = ( 0.6622402 0.3377598 -0.3377598), wk = 0.0027933
k( 340) = ( 0.6537013 0.3462987 -0.3462987), wk = 0.0027933
k( 341) = ( 0.6451623 0.3548377 -0.3548377), wk = 0.0027933
k( 342) = ( 0.6366234 0.3633767 -0.3633767), wk = 0.0027933
k( 343) = ( 0.6280844 0.3719156 -0.3719156), wk = 0.0027933
k( 344) = ( 0.6195454 0.3804546 -0.3804546), wk = 0.0027933
k( 345) = ( 0.6110065 0.3889935 -0.3889935), wk = 0.0027933
k( 346) = ( 0.6024675 0.3975325 -0.3975325), wk = 0.0027933
k( 347) = ( 0.5939286 0.4060714 -0.4060714), wk = 0.0027933
k( 348) = ( 0.5853896 0.4146104 -0.4146104), wk = 0.0027933
k( 349) = ( 0.5768506 0.4231494 -0.4231494), wk = 0.0027933
k( 350) = ( 0.5683117 0.4316883 -0.4316883), wk = 0.0027933
k( 351) = ( 0.5597727 0.4402273 -0.4402273), wk = 0.0027933
k( 352) = ( 0.5512338 0.4487662 -0.4487662), wk = 0.0027933
k( 353) = ( 0.5426948 0.4573052 -0.4573052), wk = 0.0027933
k( 354) = ( 0.5341558 0.4658442 -0.4658442), wk = 0.0027933
k( 355) = ( 0.5256169 0.4743831 -0.4743831), wk = 0.0027933
k( 356) = ( 0.5170779 0.4829221 -0.4829221), wk = 0.0027933
k( 357) = ( 0.5085390 0.4914610 -0.4914610), wk = 0.0027933
k( 358) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933
Dense grid: 53561 G-vectors FFT dimensions: ( 64, 64, 64)
Smooth grid: 36579 G-vectors FFT dimensions: ( 60, 60, 60)
Largest allocated arrays est. size (Mb) dimensions
Kohn-Sham Wavefunctions 0.16 Mb ( 204, 52)
NL pseudopotentials 0.16 Mb ( 102, 103)
Each V/rho on FFT grid 0.12 Mb ( 8192)
Each G-vector array 0.01 Mb ( 1116)
G-vector shells 0.01 Mb ( 1038)
Largest temporary arrays est. size (Mb) dimensions
Auxiliary wavefunctions 0.65 Mb ( 204, 208)
Each subspace H/S matrix 0.66 Mb ( 208, 208)
Each <psi_i|beta_j> matrix 0.16 Mb ( 103, 2, 52)
Check: negative/imaginary core charge= -0.000002 0.000000
The potential is recalculated from file :
./Cu2GeSe3.save/charge-density.dat
Starting wfc are 68 randomized atomic wfcs
Band Structure Calculation
Davidson diagonalization with overlap
Computing kpt #: 1
total cpu time spent up to now is 42.8 secs
Computing kpt #: 2
total cpu time spent up to now is 45.4 secs
Computing kpt #: 3
total cpu time spent up to now is 47.8 secs
Computing kpt #: 4
total cpu time spent up to now is 50.2 secs
Computing kpt #: 5
total cpu time spent up to now is 52.5 secs
Computing kpt #: 6
total cpu time spent up to now is 55.0 secs
Computing kpt #: 7
total cpu time spent up to now is 57.4 secs
Computing kpt #: 8
total cpu time spent up to now is 59.7 secs
Computing kpt #: 9
total cpu time spent up to now is 62.1 secs
Computing kpt #: 10
total cpu time spent up to now is 64.4 secs
Computing kpt #: 11
total cpu time spent up to now is 66.7 secs
Computing kpt #: 12
total cpu time spent up to now is 69.1 secs
Computing kpt #: 13
total cpu time spent up to now is 71.4 secs
Computing kpt #: 14
total cpu time spent up to now is 73.8 secs
Computing kpt #: 15
total cpu time spent up to now is 76.3 secs
Computing kpt #: 16
total cpu time spent up to now is 78.7 secs
Computing kpt #: 17
total cpu time spent up to now is 81.2 secs
Computing kpt #: 18
total cpu time spent up to now is 83.6 secs
Computing kpt #: 19
total cpu time spent up to now is 85.9 secs
Computing kpt #: 20
total cpu time spent up to now is 88.3 secs
Computing kpt #: 21
total cpu time spent up to now is 90.9 secs
Computing kpt #: 22
total cpu time spent up to now is 93.3 secs
Computing kpt #: 23
total cpu time spent up to now is 95.7 secs
Computing kpt #: 24
total cpu time spent up to now is 98.1 secs
Computing kpt #: 25
total cpu time spent up to now is 100.6 secs
Computing kpt #: 26
total cpu time spent up to now is 103.1 secs
Computing kpt #: 27
total cpu time spent up to now is 105.5 secs
Computing kpt #: 28
total cpu time spent up to now is 107.9 secs
Computing kpt #: 29
total cpu time spent up to now is 110.3 secs
Computing kpt #: 30
total cpu time spent up to now is 112.7 secs
Computing kpt #: 31
total cpu time spent up to now is 115.2 secs
Computing kpt #: 32
total cpu time spent up to now is 117.5 secs
Computing kpt #: 33
total cpu time spent up to now is 119.9 secs
Computing kpt #: 34
total cpu time spent up to now is 122.3 secs
Computing kpt #: 35
total cpu time spent up to now is 124.6 secs
Computing kpt #: 36
total cpu time spent up to now is 126.9 secs
Computing kpt #: 37
total cpu time spent up to now is 129.3 secs
Computing kpt #: 38
total cpu time spent up to now is 131.7 secs
Computing kpt #: 39
total cpu time spent up to now is 134.1 secs
Computing kpt #: 40
total cpu time spent up to now is 136.4 secs
Computing kpt #: 41
total cpu time spent up to now is 138.8 secs
Computing kpt #: 42
total cpu time spent up to now is 141.3 secs
Computing kpt #: 43
total cpu time spent up to now is 143.6 secs
Computing kpt #: 44
total cpu time spent up to now is 146.0 secs
Computing kpt #: 45
total cpu time spent up to now is 148.4 secs
Computing kpt #: 46
total cpu time spent up to now is 150.8 secs
Computing kpt #: 47
total cpu time spent up to now is 153.2 secs
Computing kpt #: 48
total cpu time spent up to now is 155.9 secs
Computing kpt #: 49
total cpu time spent up to now is 158.3 secs
Computing kpt #: 50
total cpu time spent up to now is 160.7 secs
Computing kpt #: 51
total cpu time spent up to now is 163.3 secs
Computing kpt #: 52
total cpu time spent up to now is 165.7 secs
Computing kpt #: 53
total cpu time spent up to now is 168.1 secs
Computing kpt #: 54
total cpu time spent up to now is 170.5 secs
Computing kpt #: 55
total cpu time spent up to now is 172.9 secs
Computing kpt #: 56
total cpu time spent up to now is 175.3 secs
Computing kpt #: 57
total cpu time spent up to now is 177.8 secs
Computing kpt #: 58
total cpu time spent up to now is 180.1 secs
Computing kpt #: 59
total cpu time spent up to now is 182.5 secs
Computing kpt #: 60
total cpu time spent up to now is 184.9 secs
Computing kpt #: 61
total cpu time spent up to now is 187.2 secs
Computing kpt #: 62
total cpu time spent up to now is 189.6 secs
Computing kpt #: 63
total cpu time spent up to now is 191.9 secs
Computing kpt #: 64
total cpu time spent up to now is 194.2 secs
Computing kpt #: 65
total cpu time spent up to now is 196.5 secs
Computing kpt #: 66
total cpu time spent up to now is 198.9 secs
Computing kpt #: 67
total cpu time spent up to now is 201.2 secs
Computing kpt #: 68
total cpu time spent up to now is 203.6 secs
Computing kpt #: 69
total cpu time spent up to now is 205.9 secs
Computing kpt #: 70
total cpu time spent up to now is 208.3 secs
Computing kpt #: 71
total cpu time spent up to now is 210.7 secs
Computing kpt #: 72
total cpu time spent up to now is 213.0 secs
Computing kpt #: 73
total cpu time spent up to now is 216.0 secs
Computing kpt #: 74
total cpu time spent up to now is 219.9 secs
Computing kpt #: 75
total cpu time spent up to now is 222.7 secs
Computing kpt #: 76
total cpu time spent up to now is 225.1 secs
Computing kpt #: 77
total cpu time spent up to now is 227.5 secs
Computing kpt #: 78
total cpu time spent up to now is 230.0 secs
Computing kpt #: 79
total cpu time spent up to now is 232.3 secs
Computing kpt #: 80
total cpu time spent up to now is 234.7 secs
Computing kpt #: 81
total cpu time spent up to now is 237.1 secs
Computing kpt #: 82
total cpu time spent up to now is 239.5 secs
Computing kpt #: 83
total cpu time spent up to now is 242.0 secs
Computing kpt #: 84
total cpu time spent up to now is 244.5 secs
Computing kpt #: 85
total cpu time spent up to now is 246.9 secs
Computing kpt #: 86
total cpu time spent up to now is 249.4 secs
Computing kpt #: 87
total cpu time spent up to now is 251.9 secs
Computing kpt #: 88
total cpu time spent up to now is 254.5 secs
Computing kpt #: 89
total cpu time spent up to now is 257.1 secs
Computing kpt #: 90
total cpu time spent up to now is 260.1 secs
Computing kpt #: 91
total cpu time spent up to now is 262.8 secs
Computing kpt #: 92
total cpu time spent up to now is 266.1 secs
Computing kpt #: 93
total cpu time spent up to now is 269.4 secs
Computing kpt #: 94
total cpu time spent up to now is 273.0 secs
Computing kpt #: 95
total cpu time spent up to now is 276.6 secs
Computing kpt #: 96
total cpu time spent up to now is 280.2 secs
Computing kpt #: 97
total cpu time spent up to now is 283.8 secs
Computing kpt #: 98
total cpu time spent up to now is 287.5 secs
Computing kpt #: 99
total cpu time spent up to now is 291.4 secs
Computing kpt #: 100
total cpu time spent up to now is 295.2 secs
Computing kpt #: 101
total cpu time spent up to now is 298.7 secs
Computing kpt #: 102
total cpu time spent up to now is 301.8 secs
Computing kpt #: 103
total cpu time spent up to now is 304.5 secs
Computing kpt #: 104
total cpu time spent up to now is 307.1 secs
Computing kpt #: 105
total cpu time spent up to now is 309.7 secs
Computing kpt #: 106
total cpu time spent up to now is 312.3 secs
Computing kpt #: 107
total cpu time spent up to now is 314.8 secs
Computing kpt #: 108
total cpu time spent up to now is 317.3 secs
Computing kpt #: 109
total cpu time spent up to now is 319.8 secs
Computing kpt #: 110
total cpu time spent up to now is 322.2 secs
Computing kpt #: 111
total cpu time spent up to now is 324.7 secs
Computing kpt #: 112
total cpu time spent up to now is 327.1 secs
Computing kpt #: 113
total cpu time spent up to now is 329.6 secs
Computing kpt #: 114
total cpu time spent up to now is 332.0 secs
Computing kpt #: 115
total cpu time spent up to now is 334.4 secs
Computing kpt #: 116
total cpu time spent up to now is 336.8 secs
Computing kpt #: 117
total cpu time spent up to now is 339.3 secs
Computing kpt #: 118
total cpu time spent up to now is 341.7 secs
Computing kpt #: 119
total cpu time spent up to now is 344.1 secs
Computing kpt #: 120
total cpu time spent up to now is 346.5 secs
Computing kpt #: 121
total cpu time spent up to now is 348.9 secs
Computing kpt #: 122
total cpu time spent up to now is 351.3 secs
Computing kpt #: 123
total cpu time spent up to now is 353.7 secs
Computing kpt #: 124
total cpu time spent up to now is 356.1 secs
Computing kpt #: 125
total cpu time spent up to now is 358.4 secs
Computing kpt #: 126
total cpu time spent up to now is 360.8 secs
Computing kpt #: 127
total cpu time spent up to now is 363.2 secs
Computing kpt #: 128
total cpu time spent up to now is 365.7 secs
Computing kpt #: 129
total cpu time spent up to now is 368.1 secs
Computing kpt #: 130
total cpu time spent up to now is 370.6 secs
Computing kpt #: 131
total cpu time spent up to now is 373.1 secs
Computing kpt #: 132
total cpu time spent up to now is 375.5 secs
Computing kpt #: 133
total cpu time spent up to now is 378.0 secs
Computing kpt #: 134
total cpu time spent up to now is 380.5 secs
Computing kpt #: 135
total cpu time spent up to now is 382.9 secs
Computing kpt #: 136
total cpu time spent up to now is 385.4 secs
Computing kpt #: 137
total cpu time spent up to now is 387.8 secs
Computing kpt #: 138
total cpu time spent up to now is 390.4 secs
Computing kpt #: 139
total cpu time spent up to now is 392.8 secs
Computing kpt #: 140
total cpu time spent up to now is 395.2 secs
Computing kpt #: 141
total cpu time spent up to now is 397.6 secs
Computing kpt #: 142
total cpu time spent up to now is 400.0 secs
Computing kpt #: 143
total cpu time spent up to now is 402.3 secs
Computing kpt #: 144
total cpu time spent up to now is 404.7 secs
Computing kpt #: 145
total cpu time spent up to now is 407.1 secs
Computing kpt #: 146
total cpu time spent up to now is 409.4 secs
Computing kpt #: 147
total cpu time spent up to now is 411.5 secs
Computing kpt #: 148
total cpu time spent up to now is 413.7 secs
Computing kpt #: 149
total cpu time spent up to now is 415.8 secs
Computing kpt #: 150
total cpu time spent up to now is 417.9 secs
Computing kpt #: 151
total cpu time spent up to now is 420.0 secs
Computing kpt #: 152
total cpu time spent up to now is 422.1 secs
Computing kpt #: 153
total cpu time spent up to now is 424.3 secs
Computing kpt #: 154
total cpu time spent up to now is 426.5 secs
Computing kpt #: 155
total cpu time spent up to now is 428.7 secs
Computing kpt #: 156
total cpu time spent up to now is 430.8 secs
Computing kpt #: 157
total cpu time spent up to now is 433.0 secs
Computing kpt #: 158
total cpu time spent up to now is 435.1 secs
Computing kpt #: 159
total cpu time spent up to now is 437.3 secs
Computing kpt #: 160
total cpu time spent up to now is 439.5 secs
Computing kpt #: 161
total cpu time spent up to now is 441.7 secs
Computing kpt #: 162
total cpu time spent up to now is 443.9 secs
Computing kpt #: 163
total cpu time spent up to now is 446.3 secs
Computing kpt #: 164
total cpu time spent up to now is 448.7 secs
Computing kpt #: 165
total cpu time spent up to now is 451.1 secs
Computing kpt #: 166
total cpu time spent up to now is 453.5 secs
Computing kpt #: 167
total cpu time spent up to now is 456.0 secs
Computing kpt #: 168
total cpu time spent up to now is 458.5 secs
Computing kpt #: 169
total cpu time spent up to now is 461.5 secs
Computing kpt #: 170
total cpu time spent up to now is 465.3 secs
Computing kpt #: 171
total cpu time spent up to now is 468.6 secs
Computing kpt #: 172
total cpu time spent up to now is 471.7 secs
Computing kpt #: 173
total cpu time spent up to now is 475.0 secs
Computing kpt #: 174
total cpu time spent up to now is 478.2 secs
Computing kpt #: 175
total cpu time spent up to now is 481.3 secs
Computing kpt #: 176
total cpu time spent up to now is 484.3 secs
Computing kpt #: 177
total cpu time spent up to now is 487.3 secs
Computing kpt #: 178
total cpu time spent up to now is 490.4 secs
Computing kpt #: 179
total cpu time spent up to now is 493.2 secs
Computing kpt #: 180
total cpu time spent up to now is 495.9 secs
Computing kpt #: 181
total cpu time spent up to now is 498.7 secs
Computing kpt #: 182
total cpu time spent up to now is 501.3 secs
Computing kpt #: 183
total cpu time spent up to now is 504.0 secs
Computing kpt #: 184
total cpu time spent up to now is 506.5 secs
Computing kpt #: 185
total cpu time spent up to now is 509.0 secs
Computing kpt #: 186
total cpu time spent up to now is 511.6 secs
Computing kpt #: 187
total cpu time spent up to now is 514.1 secs
Computing kpt #: 188
total cpu time spent up to now is 517.4 secs
Computing kpt #: 189
total cpu time spent up to now is 519.9 secs
Computing kpt #: 190
total cpu time spent up to now is 522.3 secs
Computing kpt #: 191
total cpu time spent up to now is 524.4 secs
Computing kpt #: 192
total cpu time spent up to now is 526.8 secs
Computing kpt #: 193
total cpu time spent up to now is 529.2 secs
Computing kpt #: 194
total cpu time spent up to now is 531.6 secs
Computing kpt #: 195
total cpu time spent up to now is 534.0 secs
Computing kpt #: 196
total cpu time spent up to now is 536.5 secs
Computing kpt #: 197
total cpu time spent up to now is 538.9 secs
Computing kpt #: 198
total cpu time spent up to now is 541.4 secs
Computing kpt #: 199
total cpu time spent up to now is 543.8 secs
Computing kpt #: 200
total cpu time spent up to now is 546.3 secs
Computing kpt #: 201
total cpu time spent up to now is 548.7 secs
Computing kpt #: 202
total cpu time spent up to now is 551.1 secs
Computing kpt #: 203
total cpu time spent up to now is 553.6 secs
Computing kpt #: 204
total cpu time spent up to now is 556.1 secs
Computing kpt #: 205
total cpu time spent up to now is 558.4 secs
Computing kpt #: 206
total cpu time spent up to now is 560.9 secs
Computing kpt #: 207
total cpu time spent up to now is 563.2 secs
Computing kpt #: 208
total cpu time spent up to now is 565.7 secs
Computing kpt #: 209
total cpu time spent up to now is 568.1 secs
Computing kpt #: 210
total cpu time spent up to now is 570.6 secs
Computing kpt #: 211
total cpu time spent up to now is 573.1 secs
Computing kpt #: 212
total cpu time spent up to now is 575.6 secs
Computing kpt #: 213
total cpu time spent up to now is 578.2 secs
Computing kpt #: 214
total cpu time spent up to now is 580.8 secs
Computing kpt #: 215
total cpu time spent up to now is 583.4 secs
Computing kpt #: 216
total cpu time spent up to now is 585.9 secs
Computing kpt #: 217
total cpu time spent up to now is 588.4 secs
Computing kpt #: 218
total cpu time spent up to now is 590.9 secs
Computing kpt #: 219
total cpu time spent up to now is 593.4 secs
Computing kpt #: 220
total cpu time spent up to now is 596.1 secs
Computing kpt #: 221
total cpu time spent up to now is 598.6 secs
Computing kpt #: 222
total cpu time spent up to now is 601.2 secs
Computing kpt #: 223
total cpu time spent up to now is 603.7 secs
Computing kpt #: 224
total cpu time spent up to now is 606.2 secs
Computing kpt #: 225
total cpu time spent up to now is 608.7 secs
Computing kpt #: 226
total cpu time spent up to now is 611.3 secs
Computing kpt #: 227
total cpu time spent up to now is 613.8 secs
Computing kpt #: 228
total cpu time spent up to now is 616.4 secs
Computing kpt #: 229
total cpu time spent up to now is 619.0 secs
Computing kpt #: 230
total cpu time spent up to now is 621.6 secs
Computing kpt #: 231
total cpu time spent up to now is 624.1 secs
Computing kpt #: 232
total cpu time spent up to now is 626.8 secs
Computing kpt #: 233
total cpu time spent up to now is 629.3 secs
Computing kpt #: 234
total cpu time spent up to now is 631.8 secs
Computing kpt #: 235
total cpu time spent up to now is 634.2 secs
Computing kpt #: 236
total cpu time spent up to now is 636.6 secs
Computing kpt #: 237
total cpu time spent up to now is 639.0 secs
Computing kpt #: 238
total cpu time spent up to now is 641.3 secs
Computing kpt #: 239
total cpu time spent up to now is 643.8 secs
Computing kpt #: 240
total cpu time spent up to now is 646.2 secs
Computing kpt #: 241
total cpu time spent up to now is 648.6 secs
Computing kpt #: 242
total cpu time spent up to now is 651.1 secs
Computing kpt #: 243
total cpu time spent up to now is 653.5 secs
Computing kpt #: 244
total cpu time spent up to now is 655.9 secs
Computing kpt #: 245
total cpu time spent up to now is 658.3 secs
Computing kpt #: 246
total cpu time spent up to now is 660.7 secs
Computing kpt #: 247
total cpu time spent up to now is 663.1 secs
Computing kpt #: 248
total cpu time spent up to now is 665.6 secs
Computing kpt #: 249
total cpu time spent up to now is 668.0 secs
Computing kpt #: 250
total cpu time spent up to now is 670.4 secs
Computing kpt #: 251
total cpu time spent up to now is 672.8 secs
Computing kpt #: 252
total cpu time spent up to now is 675.2 secs
Computing kpt #: 253
total cpu time spent up to now is 677.6 secs
Computing kpt #: 254
total cpu time spent up to now is 680.0 secs
Computing kpt #: 255
total cpu time spent up to now is 682.5 secs
Computing kpt #: 256
total cpu time spent up to now is 684.9 secs
Computing kpt #: 257
total cpu time spent up to now is 687.3 secs
Computing kpt #: 258
total cpu time spent up to now is 689.9 secs
Computing kpt #: 259
total cpu time spent up to now is 692.4 secs
Computing kpt #: 260
total cpu time spent up to now is 694.8 secs
Computing kpt #: 261
total cpu time spent up to now is 697.2 secs
Computing kpt #: 262
total cpu time spent up to now is 699.6 secs
Computing kpt #: 263
total cpu time spent up to now is 702.0 secs
Computing kpt #: 264
total cpu time spent up to now is 704.4 secs
Computing kpt #: 265
total cpu time spent up to now is 706.8 secs
Computing kpt #: 266
total cpu time spent up to now is 709.2 secs
Computing kpt #: 267
total cpu time spent up to now is 711.6 secs
Computing kpt #: 268
total cpu time spent up to now is 713.9 secs
Computing kpt #: 269
total cpu time spent up to now is 716.3 secs
Computing kpt #: 270
total cpu time spent up to now is 718.6 secs
Computing kpt #: 271
total cpu time spent up to now is 721.0 secs
Computing kpt #: 272
total cpu time spent up to now is 723.4 secs
Computing kpt #: 273
total cpu time spent up to now is 725.8 secs
Computing kpt #: 274
total cpu time spent up to now is 728.2 secs
Computing kpt #: 275
total cpu time spent up to now is 730.6 secs
Computing kpt #: 276
total cpu time spent up to now is 732.9 secs
Computing kpt #: 277
total cpu time spent up to now is 735.3 secs
Computing kpt #: 278
total cpu time spent up to now is 737.6 secs
Computing kpt #: 279
total cpu time spent up to now is 740.0 secs
Computing kpt #: 280
total cpu time spent up to now is 742.4 secs
Computing kpt #: 281
total cpu time spent up to now is 744.8 secs
Computing kpt #: 282
total cpu time spent up to now is 747.3 secs
Computing kpt #: 283
total cpu time spent up to now is 749.7 secs
Computing kpt #: 284
total cpu time spent up to now is 752.2 secs
Computing kpt #: 285
total cpu time spent up to now is 754.7 secs
Computing kpt #: 286
total cpu time spent up to now is 757.3 secs
Computing kpt #: 287
total cpu time spent up to now is 759.9 secs
Computing kpt #: 288
total cpu time spent up to now is 762.5 secs
Computing kpt #: 289
total cpu time spent up to now is 765.2 secs
Computing kpt #: 290
total cpu time spent up to now is 767.9 secs
Computing kpt #: 291
total cpu time spent up to now is 770.8 secs
Computing kpt #: 292
total cpu time spent up to now is 773.9 secs
Computing kpt #: 293
total cpu time spent up to now is 777.1 secs
Computing kpt #: 294
total cpu time spent up to now is 780.5 secs
Computing kpt #: 295
total cpu time spent up to now is 784.1 secs
Computing kpt #: 296
total cpu time spent up to now is 787.5 secs
Computing kpt #: 297
total cpu time spent up to now is 791.1 secs
Computing kpt #: 298
total cpu time spent up to now is 793.5 secs
Computing kpt #: 299
total cpu time spent up to now is 795.8 secs
Computing kpt #: 300
total cpu time spent up to now is 798.1 secs
Computing kpt #: 301
total cpu time spent up to now is 800.5 secs
Computing kpt #: 302
total cpu time spent up to now is 802.8 secs
Computing kpt #: 303
total cpu time spent up to now is 805.2 secs
Computing kpt #: 304
total cpu time spent up to now is 807.5 secs
Computing kpt #: 305
total cpu time spent up to now is 809.8 secs
Computing kpt #: 306
total cpu time spent up to now is 812.3 secs
Computing kpt #: 307
total cpu time spent up to now is 814.6 secs
Computing kpt #: 308
total cpu time spent up to now is 818.4 secs
Computing kpt #: 309
total cpu time spent up to now is 822.1 secs
Computing kpt #: 310
total cpu time spent up to now is 824.5 secs
Computing kpt #: 311
total cpu time spent up to now is 826.8 secs
Computing kpt #: 312
total cpu time spent up to now is 829.2 secs
Computing kpt #: 313
total cpu time spent up to now is 831.5 secs
Computing kpt #: 314
total cpu time spent up to now is 833.9 secs
Computing kpt #: 315
total cpu time spent up to now is 836.4 secs
Computing kpt #: 316
total cpu time spent up to now is 838.8 secs
Computing kpt #: 317
total cpu time spent up to now is 841.2 secs
Computing kpt #: 318
total cpu time spent up to now is 843.6 secs
Computing kpt #: 319
total cpu time spent up to now is 846.0 secs
Computing kpt #: 320
total cpu time spent up to now is 848.4 secs
Computing kpt #: 321
total cpu time spent up to now is 850.8 secs
Computing kpt #: 322
total cpu time spent up to now is 853.3 secs
Computing kpt #: 323
total cpu time spent up to now is 855.8 secs
Computing kpt #: 324
total cpu time spent up to now is 858.3 secs
Computing kpt #: 325
total cpu time spent up to now is 860.7 secs
Computing kpt #: 326
total cpu time spent up to now is 863.1 secs
Computing kpt #: 327
total cpu time spent up to now is 865.6 secs
Computing kpt #: 328
total cpu time spent up to now is 868.0 secs
Computing kpt #: 329
total cpu time spent up to now is 870.4 secs
Computing kpt #: 330
total cpu time spent up to now is 872.9 secs
Computing kpt #: 331
total cpu time spent up to now is 875.4 secs
Computing kpt #: 332
total cpu time spent up to now is 877.9 secs
Computing kpt #: 333
total cpu time spent up to now is 880.4 secs
Computing kpt #: 334
total cpu time spent up to now is 882.8 secs
Computing kpt #: 335
total cpu time spent up to now is 885.2 secs
Computing kpt #: 336
total cpu time spent up to now is 887.6 secs
Computing kpt #: 337
total cpu time spent up to now is 890.1 secs
Computing kpt #: 338
total cpu time spent up to now is 892.5 secs
Computing kpt #: 339
total cpu time spent up to now is 895.0 secs
Computing kpt #: 340
total cpu time spent up to now is 897.5 secs
Computing kpt #: 341
total cpu time spent up to now is 899.9 secs
Computing kpt #: 342
total cpu time spent up to now is 902.6 secs
Computing kpt #: 343
total cpu time spent up to now is 905.1 secs
Computing kpt #: 344
total cpu time spent up to now is 908.1 secs
Computing kpt #: 345
total cpu time spent up to now is 910.6 secs
Computing kpt #: 346
total cpu time spent up to now is 913.7 secs
Computing kpt #: 347
total cpu time spent up to now is 916.2 secs
Computing kpt #: 348
total cpu time spent up to now is 919.2 secs
Computing kpt #: 349
total cpu time spent up to now is 921.8 secs
Computing kpt #: 350
total cpu time spent up to now is 924.7 secs
Computing kpt #: 351
total cpu time spent up to now is 927.8 secs
Computing kpt #: 352
total cpu time spent up to now is 930.9 secs
Computing kpt #: 353
total cpu time spent up to now is 934.0 secs
Computing kpt #: 354
total cpu time spent up to now is 937.0 secs
Computing kpt #: 355
total cpu time spent up to now is 939.7 secs
Computing kpt #: 356
total cpu time spent up to now is 942.8 secs
Computing kpt #: 357
total cpu time spent up to now is 945.9 secs
Computing kpt #: 358
total cpu time spent up to now is 949.0 secs
ethr = 2.27E-11, avg # of iterations = 27.2
total cpu time spent up to now is 949.0 secs
End of band structure calculation
k = 0.0000 0.0000 0.0000 ( 4515 PWs) bands (ev):
-8.5717 -8.5717 -6.8542 -6.8542 -6.4631 -6.4631 -1.6738 -1.6738
1.2262 1.2262 1.7582 1.7582 1.8798 1.8798 2.0276 2.0276
2.9869 2.9869 3.0638 3.0638 3.1436 3.1436 3.4081 3.4081
4.3441 4.3441 4.3926 4.3926 4.4638 4.4638 4.5491 4.5491
4.6315 4.6315 4.7177 4.7177 5.5723 5.5723 5.8001 5.8001
6.6444 6.6444 6.7788 6.7788 6.9675 6.9675 8.2471 8.2471
10.2224 10.2224 10.3677 10.3677
k =-0.0062 0.0108 0.0173 ( 4517 PWs) bands (ev):
-8.5708 -8.5708 -6.8541 -6.8538 -6.4630 -6.4628 -1.6765 -1.6737
1.2265 1.2269 1.7558 1.7614 1.8691 1.8852 2.0194 2.0328
2.9859 2.9877 3.0621 3.0652 3.1398 3.1442 3.4071 3.4075
4.3420 4.3455 4.3901 4.3942 4.4615 4.4672 4.5437 4.5539
4.6291 4.6356 4.7123 4.7217 5.5666 5.5739 5.8043 5.8093
6.6346 6.6498 6.7701 6.7785 6.9564 6.9771 8.2490 8.2556
10.2187 10.2201 10.3657 10.3687
k =-0.0123 0.0216 0.0346 ( 4517 PWs) bands (ev):
-8.5679 -8.5678 -6.8535 -6.8529 -6.4625 -6.4622 -1.6817 -1.6761
1.2277 1.2285 1.7536 1.7655 1.8536 1.8845 2.0091 2.0351
2.9847 2.9883 3.0601 3.0663 3.1329 3.1417 3.4044 3.4053
4.3393 4.3462 4.3867 4.3950 4.4602 4.4716 4.5380 4.5579
4.6286 4.6412 4.7054 4.7241 5.5566 5.5713 5.8216 5.8315
6.6189 6.6516 6.7557 6.7670 6.9459 6.9836 8.2611 8.2745
10.2100 10.2114 10.3634 10.3684
k =-0.0185 0.0325 0.0519 ( 4517 PWs) bands (ev):
-8.5631 -8.5629 -6.8525 -6.8515 -6.4617 -6.4612 -1.6895 -1.6812
1.2298 1.2309 1.7508 1.7702 1.8343 1.8760 1.9989 2.0353
2.9832 2.9888 3.0577 3.0671 3.1233 3.1362 3.4001 3.4015
4.3361 4.3462 4.3825 4.3950 4.4597 4.4767 4.5325 4.5610
4.6295 4.6478 4.6972 4.7250 5.5427 5.5647 5.8507 5.8651
6.5959 6.6500 6.7390 6.7438 6.9383 6.9872 8.2824 8.3027
10.1969 10.1976 10.3613 10.3671
k =-0.0247 0.0433 0.0692 ( 4519 PWs) bands (ev):
-8.5563 -8.5561 -6.8509 -6.8497 -6.4605 -6.4598 -1.6998 -1.6889
1.2329 1.2341 1.7443 1.7753 1.8138 1.8588 1.9910 2.0343
2.9814 2.9889 3.0549 3.0677 3.1112 3.1281 3.3943 3.3960
4.3327 4.3456 4.3777 4.3943 4.4599 4.4820 4.5276 4.5635
4.6312 4.6550 4.6877 4.7244 5.5252 5.5545 5.8895 5.9076
6.5644 6.6432 6.7126 6.7226 6.9348 6.9891 8.3118 8.3391
10.1780 10.1830 10.3594 10.3650
k =-0.0309 0.0541 0.0865 ( 4519 PWs) bands (ev):
-8.5476 -8.5474 -6.8490 -6.8474 -6.4590 -6.4581 -1.7129 -1.6993
1.2368 1.2381 1.7283 1.7783 1.7984 1.8350 1.9867 2.0328
2.9790 2.9886 3.0516 3.0679 3.0973 3.1180 3.3868 3.3888
4.3291 4.3443 4.3727 4.3931 4.4604 4.4869 4.5239 4.5657
4.6330 4.6620 4.6777 4.7227 5.5045 5.5412 5.9345 5.9552
6.5251 6.6252 6.6832 6.7075 6.9360 6.9914 8.3477 8.3824
10.1567 10.1675 10.3573 10.3619
k =-0.0370 0.0649 0.1037 ( 4532 PWs) bands (ev):
-8.5370 -8.5368 -6.8466 -6.8447 -6.4571 -6.4561 -1.7287 -1.7125
1.2415 1.2427 1.6991 1.7689 1.7926 1.8169 1.9852 2.0315
2.9758 2.9876 3.0476 3.0673 3.0824 3.1063 3.3779 3.3800
4.3254 4.3416 4.3680 4.3913 4.4612 4.4905 4.5220 4.5679
4.6342 4.6624 4.6733 4.7198 5.4812 5.5251 5.9813 6.0027
6.4801 6.5890 6.6661 6.6936 6.9438 6.9971 8.3891 8.4311
10.1346 10.1525 10.3542 10.3575
k =-0.0432 0.0757 0.1210 ( 4532 PWs) bands (ev):
-8.5245 -8.5242 -6.8439 -6.8417 -6.4549 -6.4537 -1.7472 -1.7287
1.2470 1.2477 1.6606 1.7363 1.7934 1.8171 1.9856 2.0306
2.9714 2.9854 3.0428 3.0625 3.0708 3.0942 3.3675 3.3696
4.3217 4.3369 4.3645 4.3893 4.4621 4.4921 4.5227 4.5706
4.6343 4.6515 4.6792 4.7163 5.4559 5.5070 6.0237 6.0434
6.4325 6.5426 6.6569 6.6805 6.9612 7.0100 8.4349 8.4844
10.1131 10.1387 10.3494 10.3513
k =-0.0494 0.0865 0.1383 ( 4540 PWs) bands (ev):
-8.5101 -8.5098 -6.8408 -6.8383 -6.4525 -6.4511 -1.7687 -1.7478
1.2528 1.2531 1.6172 1.6928 1.7978 1.8257 1.9871 2.0301
2.9654 2.9810 3.0369 3.0488 3.0683 3.0823 3.3557 3.3575
4.3179 4.3299 4.3626 4.3868 4.4630 4.4913 4.5260 4.5737
4.6327 4.6388 4.6861 4.7124 5.4291 5.4872 6.0541 6.0700
6.3861 6.4947 6.6499 6.6674 6.9923 7.0341 8.4847 8.5415
10.0934 10.1270 10.3422 10.3428
k =-0.0556 0.0974 0.1556 ( 4536 PWs) bands (ev):
-8.4939 -8.4936 -6.8374 -6.8347 -6.4498 -6.4482 -1.7930 -1.7700
1.2578 1.2599 1.5719 1.6454 1.8043 1.8372 1.9891 2.0299
2.9570 2.9730 3.0301 3.0356 3.0671 3.0717 3.3425 3.3439
4.3142 4.3208 4.3622 4.3840 4.4641 4.4892 4.5311 4.5774
4.6259 4.6292 4.6929 4.7087 5.4014 5.4663 6.0649 6.0771
6.3449 6.4489 6.6430 6.6539 7.0404 7.0731 8.5381 8.6021
10.0762 10.1179 10.3314 10.3320
k =-0.0617 0.1082 0.1729 ( 4536 PWs) bands (ev):
-8.4758 -8.4755 -6.8338 -6.8308 -6.4468 -6.4452 -1.8204 -1.7953
1.2621 1.2671 1.5270 1.5967 1.8124 1.8505 1.9913 2.0300
2.9457 2.9601 3.0226 3.0259 3.0629 3.0657 3.3282 3.3287
4.3099 4.3105 4.3628 4.3810 4.4652 4.4863 4.5370 4.5818
4.6133 4.6236 4.6993 4.7053 5.3733 5.4448 6.0520 6.0630
6.3107 6.4059 6.6349 6.6394 7.1069 7.1290 8.5955 8.6661
10.0621 10.1117 10.3166 10.3180
k =-0.0679 0.1190 0.1902 ( 4540 PWs) bands (ev):
-8.4559 -8.4556 -6.8301 -6.8268 -6.4437 -6.4419 -1.8507 -1.8239
1.2648 1.2748 1.4846 1.5484 1.8216 1.8650 1.9933 2.0301
2.9310 2.9425 3.0150 3.0196 3.0556 3.0640 3.3122 3.3128
4.2980 4.3064 4.3641 4.3777 4.4665 4.4829 4.5428 4.5868
4.6014 4.6162 4.7024 4.7054 5.3452 5.4229 6.0181 6.0309
6.2805 6.3641 6.6239 6.6249 7.1897 7.2012 8.6575 8.7342
10.0516 10.1088 10.2978 10.2998
k =-0.0741 0.1298 0.2075 ( 4548 PWs) bands (ev):
-8.4343 -8.4340 -6.8263 -6.8227 -6.4404 -6.4385 -1.8840 -1.8556
1.2645 1.2827 1.4470 1.5016 1.8318 1.8807 1.9950 2.0300
2.9134 2.9214 3.0077 3.0156 3.0497 3.0620 3.2944 3.2965
4.2852 4.3021 4.3658 4.3742 4.4677 4.4793 4.5477 4.5914
4.5917 4.6079 4.7000 4.7113 5.3175 5.4011 5.9702 5.9859
6.2490 6.3211 6.6073 6.6129 7.2846 7.2866 8.7251 8.8070
10.0448 10.1091 10.2745 10.2769
k =-0.0803 0.1406 0.2248 ( 4552 PWs) bands (ev):
-8.4110 -8.4106 -6.8224 -6.8186 -6.4371 -6.4350 -1.9202 -1.8904
1.2594 1.2907 1.4171 1.4573 1.8427 1.8972 1.9961 2.0295
2.8933 2.8983 3.0005 3.0127 3.0447 3.0598 3.2755 3.2796
4.2718 4.2976 4.3678 4.3707 4.4692 4.4755 4.5497 4.5855
4.5914 4.6044 4.6980 4.7169 5.2903 5.3794 5.9146 5.9332
6.2128 6.2753 6.5896 6.5989 7.3809 7.3865 8.7998 8.8858
10.0420 10.1126 10.2463 10.2487
k =-0.0864 0.1515 0.2421 ( 4552 PWs) bands (ev):
-8.3859 -8.3856 -6.8187 -6.8146 -6.4336 -6.4314 -1.9592 -1.9283
1.2479 1.2987 1.3968 1.4162 1.8544 1.9145 1.9964 2.0285
2.8715 2.8739 2.9932 3.0101 3.0404 3.0573 3.2558 3.2622
4.2584 4.2928 4.3671 4.3701 4.4707 4.4714 4.5471 4.5821
4.5855 4.6100 4.6962 4.7225 5.2640 5.3582 5.8554 5.8763
6.1709 6.2262 6.5708 6.5831 7.4791 7.4901 8.8832 8.9718
10.0430 10.1190 10.2131 10.2150
k =-0.0926 0.1623 0.2594 ( 4558 PWs) bands (ev):
-8.3592 -8.3589 -6.8151 -6.8108 -6.4302 -6.4279 -2.0009 -1.9691
1.2307 1.3065 1.3790 1.3860 1.8664 1.9321 1.9960 2.0268
2.8488 2.8491 2.9852 3.0073 3.0368 3.0547 3.2355 3.2447
4.2451 4.2877 4.3636 4.3725 4.4667 4.4725 4.5411 4.5706
4.5901 4.6182 4.6946 4.7281 5.2386 5.3374 5.7950 5.8178
6.1237 6.1737 6.5508 6.5658 7.5770 7.5909 8.9771 9.0665
10.0476 10.1268 10.1755 10.1757
k =-0.0988 0.1731 0.2767 ( 4552 PWs) bands (ev):
-8.3309 -8.3306 -6.8117 -6.8072 -6.4268 -6.4244 -2.0450 -2.0126
1.2106 1.3138 1.3462 1.3822 1.8787 1.9491 1.9954 2.0243
2.8240 2.8258 2.9765 3.0039 3.0338 3.0521 3.2150 3.2274
4.2323 4.2823 4.3604 4.3748 4.4616 4.4743 4.5345 4.5589
4.5970 4.6274 4.6932 4.7339 5.2141 5.3172 5.7348 5.7591
6.0721 6.1183 6.5299 6.5469 7.6706 7.6853 9.0826 9.1713
10.0550 10.1189 10.1306 10.1508
k =-0.1050 0.1839 0.2940 ( 4560 PWs) bands (ev):
-8.3011 -8.3008 -6.8087 -6.8040 -6.4234 -6.4209 -2.0913 -2.0585
1.1906 1.3153 1.3233 1.3825 1.8908 1.9627 1.9972 2.0210
2.7992 2.8029 2.9667 2.9997 3.0313 3.0497 3.1945 3.2105
4.2203 4.2765 4.3574 4.3771 4.4557 4.4763 4.5285 4.5473
4.6049 4.6374 4.6920 4.7399 5.1904 5.2974 5.6756 5.7014
6.0170 6.0606 6.5078 6.5268 7.7570 7.7705 9.2003 9.2867
10.0585 10.0735 10.0868 10.1600
k =-0.1111 0.1947 0.3112 ( 4550 PWs) bands (ev):
-8.2698 -8.2695 -6.8062 -6.8013 -6.4202 -6.4177 -2.1395 -2.1066
1.1726 1.2935 1.3279 1.3848 1.9019 1.9668 2.0070 2.0175
2.7750 2.7806 2.9560 2.9945 3.0291 3.0475 3.1745 3.1944
4.2093 4.2704 4.3549 4.3791 4.4493 4.4784 4.5237 4.5362
4.6132 4.6479 4.6913 4.7463 5.1677 5.2783 5.6182 5.6454
5.9593 6.0010 6.4847 6.5053 7.8342 7.8451 9.3296 9.4130
10.0159 10.0187 10.0860 10.1748
k =-0.1173 0.2055 0.3285 ( 4562 PWs) bands (ev):
-8.2370 -8.2368 -6.8042 -6.7992 -6.4172 -6.4146 -2.1892 -2.1565
1.1580 1.2750 1.3333 1.3880 1.9111 1.9620 2.0145 2.0242
2.7514 2.7591 2.9442 2.9882 3.0272 3.0456 3.1553 3.1794
4.1995 4.2639 4.3529 4.3808 4.4424 4.4806 4.5201 4.5258
4.6216 4.6579 4.6917 4.7533 5.1455 5.2595 5.5628 5.5915
5.8998 5.9402 6.4605 6.4826 7.9011 7.9084 9.4681 9.5490
9.9545 9.9595 10.1003 10.1910
k =-0.1235 0.2164 0.3458 ( 4566 PWs) bands (ev):
-8.2029 -8.2028 -6.8029 -6.7978 -6.4145 -6.4118 -2.2402 -2.2077
1.1473 1.2612 1.3379 1.3912 1.9164 1.9522 2.0139 2.0443
2.7287 2.7387 2.9314 2.9809 3.0255 3.0439 3.1373 3.1658
4.1911 4.2572 4.3517 4.3820 4.4354 4.4828 4.5162 4.5178
4.6298 4.6657 4.6953 4.7609 5.1241 5.2413 5.5098 5.5401
5.8394 5.8788 6.4353 6.4588 7.9575 7.9610 9.6100 9.6926
9.8876 9.8998 10.1168 10.2073
k =-0.1296 0.2272 0.3631 ( 4574 PWs) bands (ev):
-8.1676 -8.1675 -6.8025 -6.7972 -6.4120 -6.4093 -2.2919 -2.2600
1.1408 1.2522 1.3415 1.3940 1.9159 1.9392 2.0176 2.0657
2.7068 2.7193 2.9178 2.9727 3.0239 3.0423 3.1208 3.1539
4.1843 4.2504 4.3512 4.3824 4.4287 4.4852 4.5076 4.5166
4.6377 4.6692 4.7040 4.7695 5.1032 5.2234 5.4594 5.4914
5.7785 5.8172 6.4090 6.4338 8.0036 8.0040 9.7267 9.8158
9.8404 9.8642 10.1343 10.2236
k =-0.1358 0.2380 0.3804 ( 4574 PWs) bands (ev):
-8.1311 -8.1310 -6.8029 -6.7975 -6.4099 -6.4072 -2.3439 -2.3127
1.1384 1.2479 1.3439 1.3961 1.9086 1.9233 2.0263 2.0879
2.6855 2.7010 2.9037 2.9640 3.0223 3.0408 3.1062 3.1438
4.1790 4.2433 4.3517 4.3818 4.4228 4.4875 4.5002 4.5164
4.6450 4.6693 4.7169 4.7792 5.0828 5.2059 5.4117 5.4456
5.7178 5.7560 6.3818 6.4078 8.0374 8.0413 9.7176 9.7415
9.9450 9.9825 10.1549 10.2425
k =-0.1420 0.2488 0.3977 ( 4574 PWs) bands (ev):
-8.0935 -8.0935 -6.8043 -6.7989 -6.4083 -6.4055 -2.3958 -2.3654
1.1401 1.2481 1.3452 1.3975 1.8956 1.9050 2.0394 2.1105
2.6647 2.6833 2.8894 2.9550 3.0207 3.0393 3.0936 3.1358
4.1754 4.2361 4.3532 4.3797 4.4183 4.4892 4.4947 4.5171
4.6517 4.6675 4.7324 4.7900 5.0628 5.1888 5.3668 5.4027
5.6578 5.6956 6.3537 6.3809 8.0637 8.0704 9.6514 9.6643
10.0544 10.0895 10.2015 10.2758
k =-0.1482 0.2596 0.4150 ( 4574 PWs) bands (ev):
-8.0550 -8.0549 -6.8069 -6.8015 -6.4071 -6.4043 -2.4471 -2.4178
1.1455 1.2524 1.3453 1.3981 1.8781 1.8845 2.0557 2.1334
2.6439 2.6658 2.8754 2.9461 3.0190 3.0376 3.0833 3.1299
4.1733 4.2288 4.3557 4.3763 4.4153 4.4872 4.4942 4.5185
4.6576 4.6648 4.7496 4.8020 5.0432 5.1719 5.3249 5.3626
5.5989 5.6364 6.3248 6.3531 8.0834 8.0923 9.5764 9.5853
10.1122 10.1203 10.3035 10.3461
k =-0.1543 0.2705 0.4323 ( 4570 PWs) bands (ev):
-8.0156 -8.0154 -6.8107 -6.8053 -6.4064 -6.4036 -2.4974 -2.4693
1.1544 1.2606 1.3442 1.3981 1.8575 1.8623 2.0743 2.1566
2.6227 2.6478 2.8622 2.9378 3.0171 3.0358 3.0754 3.1261
4.1729 4.2215 4.3593 4.3717 4.4137 4.4839 4.4964 4.5204
4.6615 4.6626 4.7680 4.8151 5.0239 5.1553 5.2859 5.3254
5.5415 5.5790 6.2952 6.3244 8.0975 8.1081 9.4984 9.5051
10.1168 10.1169 10.4059 10.4381
k =-0.1605 0.2813 0.4496 ( 4582 PWs) bands (ev):
-7.9755 -7.9752 -6.8158 -6.8104 -6.4063 -6.4036 -2.5463 -2.5194
1.1662 1.2723 1.3422 1.3977 1.8345 1.8387 2.0944 2.1799
2.6006 2.6286 2.8505 2.9302 3.0149 3.0337 3.0700 3.1244
4.1738 4.2143 4.3635 4.3666 4.4131 4.4816 4.4989 4.5228
4.6578 4.6668 4.7873 4.8294 5.0049 5.1390 5.2499 5.2910
5.4860 5.5235 6.2649 6.2950 8.1069 8.1187 9.4192 9.4245
10.0934 10.0974 10.4813 10.5166
k =-0.1667 0.2921 0.4669 ( 4586 PWs) bands (ev):
-7.9348 -7.9344 -6.8223 -6.8169 -6.4069 -6.4042 -2.5933 -2.5678
1.1805 1.2871 1.3393 1.3973 1.8101 1.8142 2.1158 2.2032
2.5771 2.6076 2.8408 2.9238 3.0126 3.0313 3.0670 3.1246
4.1759 4.2071 4.3617 4.3685 4.4132 4.4812 4.5016 4.5255
4.6536 4.6702 4.8075 4.8446 4.9866 5.1231 5.2168 5.2591
5.4327 5.4703 6.2340 6.2650 8.1122 8.1247 9.3398 9.3441
10.0540 10.0649 10.5291 10.5704
k =-0.1729 0.3029 0.4842 ( 4578 PWs) bands (ev):
-7.8936 -7.8931 -6.8303 -6.8250 -6.4081 -6.4054 -2.6381 -2.6140
1.1964 1.3043 1.3357 1.3975 1.7850 1.7896 2.1381 2.2265
2.5518 2.5842 2.8336 2.9189 3.0100 3.0287 3.0663 3.1267
4.1792 4.2003 4.3574 4.3739 4.4138 4.4828 4.5044 4.5286
4.6490 4.6730 4.8280 4.8606 4.9692 5.1077 5.1869 5.2296
5.3819 5.4199 6.2026 6.2344 8.1142 8.1270 9.2608 9.2644
10.0043 10.0218 10.5584 10.6043
k =-0.1790 0.3137 0.5014 ( 4576 PWs) bands (ev):
-7.8522 -7.8516 -6.8396 -6.8345 -6.4101 -6.4074 -2.6802 -2.6576
1.2130 1.3226 1.3325 1.3987 1.7598 1.7653 2.1611 2.2496
2.5245 2.5582 2.8289 2.9155 3.0072 3.0258 3.0675 3.1303
4.1832 4.1936 4.3540 4.3793 4.4148 4.4869 4.5072 4.5318
4.6440 4.6750 4.8478 4.8768 4.9537 5.0931 5.1600 5.2023
5.3338 5.3725 6.1709 6.2035 8.1133 8.1262 9.1830 9.1860
9.9478 9.9706 10.5772 10.6251
k =-0.1852 0.3245 0.5187 ( 4576 PWs) bands (ev):
-7.8108 -7.8100 -6.8505 -6.8455 -6.4128 -6.4102 -2.7193 -2.6983
1.2294 1.3260 1.3449 1.4018 1.7353 1.7423 2.1845 2.2723
2.4952 2.5296 2.8267 2.9136 3.0045 3.0229 3.0705 3.1353
4.1870 4.1879 4.3519 4.3843 4.4161 4.4935 4.5099 4.5351
4.6386 4.6764 4.8643 4.8926 4.9427 5.0793 5.1365 5.1770
5.2887 5.3285 6.1390 6.1722 8.1101 8.1228 9.1067 9.1093
9.8870 9.9138 10.5896 10.6374
k =-0.1914 0.3354 0.5360 ( 4574 PWs) bands (ev):
-7.7695 -7.7686 -6.8627 -6.8579 -6.4163 -6.4138 -2.7552 -2.7358
1.2444 1.3218 1.3651 1.4073 1.7123 1.7215 2.2081 2.2946
2.4640 2.4989 2.8268 2.9132 3.0018 3.0200 3.0750 3.1413
4.1813 4.1923 4.3512 4.3888 4.4179 4.5030 4.5126 4.5384
4.6328 4.6773 4.8718 4.9073 4.9420 5.0668 5.1166 5.1534
5.2469 5.2882 6.1070 6.1407 8.1048 8.1172 9.0325 9.0349
9.8239 9.8536 10.5972 10.6431
k =-0.1976 0.3462 0.5533 ( 4580 PWs) bands (ev):
-7.7286 -7.7275 -6.8763 -6.8717 -6.4207 -6.4182 -2.7874 -2.7698
1.2571 1.3176 1.3844 1.4152 1.6918 1.7040 2.2314 2.3163
2.4312 2.4664 2.8289 2.9139 2.9993 3.0171 3.0807 3.1481
4.1758 4.1966 4.3517 4.3925 4.4204 4.5149 4.5154 4.5417
4.6266 4.6778 4.8669 4.9196 4.9548 5.0554 5.1013 5.1311
5.2088 5.2520 6.0749 6.1092 8.0979 8.1099 8.9609 8.9631
9.7599 9.7916 10.6002 10.6431
k =-0.2037 0.3570 0.5706 ( 4588 PWs) bands (ev):
-7.6885 -7.6873 -6.8910 -6.8867 -6.4259 -6.4236 -2.8158 -2.7999
1.2672 1.3138 1.4011 1.4248 1.6753 1.6911 2.2541 2.3372
2.3975 2.4327 2.8326 2.9157 2.9969 3.0145 3.0873 3.1555
4.1708 4.2004 4.3532 4.3956 4.4241 4.5175 4.5296 4.5448
4.6202 4.6779 4.8551 4.9281 4.9755 5.0446 5.0915 5.1100
5.1753 5.2202 6.0430 6.0777 8.0898 8.1013 8.8922 8.8943
9.6962 9.7293 10.5985 10.6379
k =-0.2099 0.3678 0.5879 ( 4588 PWs) bands (ev):
-7.6495 -7.6481 -6.9066 -6.9026 -6.4320 -6.4298 -2.8402 -2.8261
1.2749 1.3106 1.4134 1.4342 1.6642 1.6841 2.2746 2.3570
2.3648 2.3988 2.8376 2.9181 2.9949 3.0122 3.0947 3.1633
4.1664 4.2038 4.3549 4.3982 4.4293 4.5198 4.5454 4.5480
4.6138 4.6779 4.8412 4.9319 4.9990 5.0333 5.0867 5.0906
5.1490 5.1931 6.0115 6.0465 8.0806 8.0916 8.8269 8.8290
9.6336 9.6677 10.5918 10.6275
k =-0.2161 0.3786 0.6052 ( 4592 PWs) bands (ev):
-7.6120 -7.6106 -6.9227 -6.9191 -6.4390 -6.4369 -2.8603 -2.8480
1.2809 1.3083 1.4200 1.4410 1.6603 1.6840 2.2867 2.3395
2.3650 2.3759 2.8436 2.9209 2.9933 3.0105 3.1026 3.1713
4.1627 4.2066 4.3561 4.4005 4.4363 4.5218 4.5510 4.5611
4.6085 4.6777 4.8274 4.9312 5.0201 5.0214 5.0759 5.0810
5.1359 5.1708 5.9803 6.0155 8.0706 8.0811 8.7652 8.7675
9.5729 9.6076 10.5802 10.6122
k =-0.2223 0.3895 0.6225 ( 4600 PWs) bands (ev):
-7.5768 -7.5752 -6.9389 -6.9357 -6.4469 -6.4449 -2.8761 -2.8657
1.2860 1.3070 1.4207 1.4432 1.6642 1.6901 2.2732 2.3331
2.3395 2.3929 2.8503 2.9236 2.9922 3.0097 3.1108 3.1792
4.1596 4.2089 4.3561 4.4027 4.4454 4.5234 4.5543 4.5726
4.6074 4.6777 4.8150 4.9270 5.0087 5.0258 5.0691 5.0782
5.1403 5.1530 5.9497 5.9851 8.0601 8.0702 8.7076 8.7101
9.5145 9.5496 10.5638 10.5922
k =-0.2284 0.4003 0.6398 ( 4592 PWs) bands (ev):
-7.5444 -7.5428 -6.9545 -6.9517 -6.4557 -6.4538 -2.8874 -2.8788
1.2910 1.3067 1.4163 1.4404 1.6750 1.7009 2.2446 2.3040
2.3552 2.4085 2.8576 2.9261 2.9918 3.0098 3.1192 3.1870
4.1574 4.2111 4.3545 4.4049 4.4560 4.5243 4.5579 4.5749
4.6146 4.6779 4.8058 4.9206 4.9951 5.0135 5.0561 5.0997
5.1398 5.1558 5.9198 5.9552 8.0492 8.0588 8.6544 8.6572
9.4590 9.4944 10.5426 10.5678
k =-0.2346 0.4111 0.6571 ( 4590 PWs) bands (ev):
-7.5158 -7.5142 -6.9687 -6.9664 -6.4654 -6.4636 -2.8941 -2.8874
1.2962 1.3076 1.4084 1.4337 1.6902 1.7136 2.2153 2.2790
2.3732 2.4222 2.8653 2.9282 2.9921 3.0112 3.1275 3.1944
4.1559 4.2132 4.3512 4.4071 4.4674 4.5240 4.5620 4.5713
4.6251 4.6785 4.8014 4.9132 4.9808 4.9965 5.0466 5.1219
5.1356 5.1767 5.8908 5.9261 8.0380 8.0473 8.6060 8.6091
9.4068 9.4423 10.5169 10.5394
k =-0.2408 0.4219 0.6744 ( 4590 PWs) bands (ev):
-7.4919 -7.4904 -6.9805 -6.9788 -6.4760 -6.4743 -2.8962 -2.8914
1.3021 1.3092 1.3987 1.4247 1.7065 1.7256 2.1895 2.2597
2.3907 2.4338 2.8731 2.9297 2.9932 3.0138 3.1358 3.2015
4.1552 4.2154 4.3464 4.4095 4.4784 4.5221 4.5666 4.5670
4.6325 4.6794 4.8040 4.9057 4.9663 4.9792 5.0413 5.1198
5.1607 5.2006 5.8627 5.8979 8.0266 8.0356 8.5627 8.5663
9.3582 9.3938 10.4873 10.5073
k =-0.2469 0.4327 0.6916 ( 4588 PWs) bands (ev):
-7.4741 -7.4727 -6.9887 -6.9877 -6.4875 -6.4859 -2.8937 -2.8909
1.3087 1.3110 1.3889 1.4148 1.7205 1.7345 2.1699 2.2478
2.4069 2.4434 2.8811 2.9309 2.9951 3.0175 3.1440 3.2080
4.1554 4.2178 4.3402 4.4121 4.4884 4.5178 4.5633 4.5726
4.6340 4.6808 4.8149 4.8988 4.9529 4.9626 5.0400 5.1157
5.1912 5.2261 5.8358 5.8707 8.0153 8.0240 8.5248 8.5289
9.3135 9.3491 10.4540 10.4720
k =-0.2531 0.4435 0.7089 ( 4582 PWs) bands (ev):
-7.4632 -7.4620 -6.9922 -6.9920 -6.4998 -6.4984 -2.8866 -2.8857
1.3117 1.3159 1.3810 1.4052 1.7295 1.7386 2.1587 2.2444
2.4212 2.4506 2.8890 2.9318 2.9980 3.0223 3.1519 3.2139
4.1567 4.2206 4.3331 4.4148 4.4966 4.5114 4.5617 4.5787
4.6298 4.6822 4.8332 4.8931 4.9417 4.9471 5.0419 5.1136
5.2223 5.2525 5.8102 5.8447 8.0039 8.0125 8.4926 8.4973
9.2730 9.3085 10.4174 10.4338
k =-0.2593 0.4544 0.7262 ( 4584 PWs) bands (ev):
-7.4601 -7.4591 -6.9910 -6.9905 -6.5129 -6.5117 -2.8759 -2.8749
1.3092 1.3228 1.3775 1.3973 1.7315 1.7372 2.1574 2.2498
2.4334 2.4554 2.8970 2.9327 3.0017 3.0279 3.1595 3.2191
4.1588 4.2235 4.3254 4.4178 4.5031 4.5034 4.5614 4.5847
4.6215 4.6834 4.8571 4.8887 4.9329 4.9340 5.0464 5.1134
5.2533 5.2794 5.7861 5.8202 7.9926 8.0012 8.4665 8.4719
9.2369 9.2723 10.3781 10.3932
k =-0.2655 0.4652 0.7435 ( 4588 PWs) bands (ev):
-7.4648 -7.4641 -6.9846 -6.9833 -6.5268 -6.5257 -2.8617 -2.8587
1.3020 1.3278 1.3799 1.3929 1.7261 1.7308 2.1663 2.2636
2.4432 2.4579 2.9048 2.9338 3.0061 3.0342 3.1669 3.2237
4.1618 4.2264 4.3176 4.4209 4.4945 4.5079 4.5617 4.5899
4.6110 4.6835 4.8845 4.8851 4.9201 4.9315 5.0531 5.1150
5.2840 5.3064 5.7636 5.7972 7.9816 7.9902 8.4468 8.4528
9.2052 9.2405 10.3364 10.3503
k =-0.2716 0.4760 0.7608 ( 4590 PWs) bands (ev):
-7.4770 -7.4765 -6.9731 -6.9711 -6.5415 -6.5405 -2.8430 -2.8381
1.2905 1.3287 1.3880 1.3943 1.7144 1.7205 2.1843 2.2846
2.4506 2.4581 2.9127 2.9355 3.0111 3.0409 3.1741 3.2277
4.1658 4.2290 4.3105 4.4241 4.4856 4.5115 4.5618 4.5939
4.5997 4.6822 4.8812 4.9055 4.9175 4.9354 5.0615 5.1181
5.3141 5.3331 5.7429 5.7759 7.9707 7.9795 8.4337 8.4404
9.1781 9.2131 10.2927 10.3056
k =-0.2778 0.4868 0.7781 ( 4582 PWs) bands (ev):
-7.4956 -7.4952 -6.9575 -6.9548 -6.5568 -6.5560 -2.8201 -2.8131
1.2759 1.3244 1.4003 1.4024 1.6986 1.7079 2.2095 2.3112
2.4555 2.4560 2.9206 2.9378 3.0164 3.0478 3.1810 3.2310
4.1708 4.2306 4.3052 4.4275 4.4771 4.5141 4.5604 4.5898
4.5965 4.6792 4.8774 4.8968 4.9458 4.9471 5.0716 5.1227
5.3433 5.3592 5.7243 5.7567 7.9602 7.9692 8.4274 8.4350
9.1554 9.1901 10.2472 10.2593
k =-0.2778 0.4868 0.7781 ( 4582 PWs) bands (ev):
-7.4956 -7.4952 -6.9575 -6.9548 -6.5568 -6.5560 -2.8201 -2.8131
1.2759 1.3244 1.4003 1.4024 1.6986 1.7079 2.2095 2.3112
2.4555 2.4560 2.9206 2.9378 3.0164 3.0478 3.1810 3.2310
4.1708 4.2306 4.3052 4.4275 4.4771 4.5141 4.5604 4.5898
4.5965 4.6792 4.8774 4.8968 4.9458 4.9471 5.0716 5.1227
5.3433 5.3592 5.7243 5.7567 7.9602 7.9692 8.4274 8.4350
9.1554 9.1901 10.2472 10.2593
k =-0.2693 0.4719 0.7905 ( 4585 PWs) bands (ev):
-7.4956 -7.4951 -6.9574 -6.9547 -6.5567 -6.5558 -2.8205 -2.8135
1.2711 1.3194 1.3996 1.4013 1.7037 1.7126 2.2099 2.3111
2.4553 2.4559 2.9210 2.9375 3.0157 3.0478 3.1805 3.2305
4.1716 4.2308 4.3057 4.4269 4.4771 4.5139 4.5601 4.5901
4.5961 4.6785 4.8791 4.8983 4.9455 4.9463 5.0713 5.1222
5.3421 5.3581 5.7254 5.7579 7.9603 7.9694 8.4310 8.4386
9.1589 9.1936 10.2483 10.2605
k =-0.2607 0.4569 0.8029 ( 4583 PWs) bands (ev):
-7.4953 -7.4949 -6.9573 -6.9546 -6.5563 -6.5555 -2.8217 -2.8147
1.2570 1.3044 1.3984 1.3993 1.7173 1.7254 2.2114 2.3112
2.4549 2.4557 2.9224 2.9363 3.0138 3.0478 3.1790 3.2290
4.1738 4.2314 4.3074 4.4252 4.4772 4.5134 4.5595 4.5912
4.5951 4.6765 4.8836 4.9027 4.9436 4.9450 5.0703 5.1207
5.3389 5.3548 5.7283 5.7613 7.9605 7.9698 8.4417 8.4496
9.1694 9.2039 10.2519 10.2641
k =-0.2522 0.4419 0.8153 ( 4585 PWs) bands (ev):
-7.4950 -7.4946 -6.9570 -6.9543 -6.5557 -6.5549 -2.8236 -2.8167
1.2350 1.2804 1.3977 1.3983 1.7361 1.7436 2.2146 2.3120
2.4543 2.4553 2.9244 2.9343 3.0107 3.0479 3.1765 3.2266
4.1775 4.2324 4.3103 4.4226 4.4772 4.5123 4.5585 4.5926
4.5935 4.6735 4.8897 4.9095 4.9396 4.9448 5.0690 5.1184
5.3338 5.3496 5.7329 5.7666 7.9609 7.9707 8.4597 8.4678
9.1866 9.2207 10.2578 10.2702
k =-0.2437 0.4270 0.8277 ( 4591 PWs) bands (ev):
-7.4945 -7.4940 -6.9566 -6.9540 -6.5548 -6.5540 -2.8263 -2.8194
1.2067 1.2500 1.3981 1.3990 1.7559 1.7637 2.2206 2.3145
2.4535 2.4547 2.9268 2.9313 3.0064 3.0480 3.1733 3.2233
4.1825 4.2336 4.3142 4.4192 4.4769 4.5109 4.5575 4.5910
4.5946 4.6697 4.8951 4.9177 4.9346 4.9465 5.0679 5.1159
5.3276 5.3431 5.7388 5.7734 7.9616 7.9720 8.4847 8.4932
9.2099 9.2435 10.2660 10.2786
k =-0.2351 0.4120 0.8402 ( 4595 PWs) bands (ev):
-7.4939 -7.4934 -6.9561 -6.9535 -6.5537 -6.5529 -2.8298 -2.8228
1.1744 1.2154 1.3998 1.4011 1.7736 1.7827 2.2304 2.3200
2.4526 2.4541 2.9270 2.9294 3.0010 3.0483 3.1693 3.2191
4.1887 4.2349 4.3193 4.4154 4.4763 4.5092 4.5566 4.5883
4.5966 4.6655 4.8968 4.9205 4.9347 4.9517 5.0680 5.1138
5.3208 5.3358 5.7456 5.7812 7.9628 7.9739 8.5167 8.5257
9.2386 9.2717 10.2768 10.2896
k =-0.2266 0.3970 0.8526 ( 4593 PWs) bands (ev):
-7.4931 -7.4926 -6.9556 -6.9530 -6.5524 -6.5516 -2.8339 -2.8269
1.1395 1.1786 1.4027 1.4044 1.7864 1.7981 2.2451 2.3297
2.4517 2.4534 2.9216 2.9311 2.9951 3.0487 3.1647 3.2141
4.1959 4.2364 4.3254 4.4114 4.4752 4.5071 4.5559 4.5853
4.5987 4.6612 4.8939 4.9131 4.9438 4.9598 5.0707 5.1132
5.3141 5.3283 5.7529 5.7894 7.9644 7.9765 8.5555 8.5650
9.2719 9.3043 10.2900 10.3031
k =-0.2180 0.3821 0.8650 ( 4595 PWs) bands (ev):
-7.4923 -7.4918 -6.9549 -6.9524 -6.5508 -6.5500 -2.8386 -2.8317
1.1035 1.1409 1.4066 1.4088 1.7930 1.8078 2.2651 2.3443
2.4511 2.4529 2.9147 2.9312 2.9892 3.0493 3.1597 3.2085
4.2040 4.2379 4.3323 4.4075 4.4736 4.5046 4.5553 4.5822
4.6008 4.6570 4.8873 4.9025 4.9534 4.9675 5.0781 5.1157
5.3080 5.3211 5.7603 5.7978 7.9664 7.9797 8.6010 8.6111
9.3090 9.3404 10.3059 10.3193
k =-0.2095 0.3671 0.8774 ( 4590 PWs) bands (ev):
-7.4914 -7.4908 -6.9542 -6.9517 -6.5490 -6.5483 -2.8439 -2.8370
1.0671 1.1031 1.4115 1.4140 1.7930 1.8110 2.2898 2.3641
2.4510 2.4529 2.9062 2.9283 2.9846 3.0502 3.1544 3.2023
4.2127 4.2394 4.3400 4.4039 4.4715 4.5018 4.5549 4.5791
4.6031 4.6530 4.8781 4.8904 4.9604 4.9721 5.0920 5.1229
5.3030 5.3146 5.7675 5.8059 7.9689 7.9835 8.6529 8.6636
9.3488 9.3790 10.3246 10.3383
k =-0.2010 0.3521 0.8898 ( 4586 PWs) bands (ev):
-7.4904 -7.4898 -6.9534 -6.9510 -6.5470 -6.5463 -2.8497 -2.8429
1.0311 1.0659 1.4171 1.4200 1.7866 1.8077 2.3177 2.3878
2.4523 2.4543 2.8962 2.9212 2.9823 3.0513 3.1490 3.1956
4.2217 4.2408 4.3482 4.4008 4.4687 4.4987 4.5545 4.5760
4.6056 4.6494 4.8672 4.8770 4.9635 4.9726 5.1126 5.1360
5.2995 5.3091 5.7745 5.8135 7.9716 7.9876 8.7110 8.7223
9.3903 9.4190 10.3464 10.3603
k =-0.1924 0.3372 0.9022 ( 4582 PWs) bands (ev):
-7.4893 -7.4887 -6.9525 -6.9502 -6.5448 -6.5442 -2.8560 -2.8492
0.9959 1.0296 1.4234 1.4265 1.7749 1.7982 2.3461 2.4116
2.4564 2.4601 2.8846 2.9097 2.9826 3.0528 3.1437 3.1886
4.2307 4.2422 4.3567 4.3985 4.4654 4.4952 4.5542 4.5731
4.6083 4.6464 4.8552 4.8628 4.9624 4.9696 5.1386 5.1548
5.2977 5.3048 5.7811 5.8206 7.9742 7.9918 8.7747 8.7866
9.4324 9.4594 10.3715 10.3856
k =-0.1839 0.3222 0.9146 ( 4587 PWs) bands (ev):
-7.4882 -7.4876 -6.9515 -6.9493 -6.5425 -6.5418 -2.8627 -2.8558
0.9619 0.9947 1.4303 1.4336 1.7589 1.7836 2.3707 2.4270
2.4663 2.4778 2.8715 2.8944 2.9848 3.0545 3.1384 3.1814
4.2394 4.2434 4.3652 4.3970 4.4616 4.4914 4.5538 4.5705
4.6113 4.6439 4.8422 4.8480 4.9581 4.9646 5.1688 5.1783
5.2982 5.3018 5.7873 5.8269 7.9763 7.9956 8.8437 8.8561
9.4745 9.4993 10.4003 10.4144
k =-0.1753 0.3073 0.9270 ( 4579 PWs) bands (ev):
-7.4871 -7.4865 -6.9506 -6.9484 -6.5399 -6.5393 -2.8696 -2.8628
0.9294 0.9612 1.4377 1.4411 1.7397 1.7650 2.3870 2.4320
2.4854 2.5078 2.8571 2.8763 2.9883 3.0567 3.1333 3.1740
4.2446 4.2476 4.3735 4.3966 4.4575 4.4875 4.5533 4.5682
4.6146 4.6423 4.8287 4.8330 4.9516 4.9583 5.2017 5.2045
5.3006 5.3018 5.7932 5.8326 7.9772 7.9985 8.9174 8.9304
9.5155 9.5379 10.4329 10.4470
k =-0.1668 0.2923 0.9394 ( 4581 PWs) bands (ev):
-7.4861 -7.4854 -6.9495 -6.9474 -6.5372 -6.5367 -2.8768 -2.8700
0.8985 0.9295 1.4455 1.4489 1.7184 1.7434 2.3942 2.4325
2.5131 2.5430 2.8417 2.8560 2.9926 3.0593 3.1285 3.1666
4.2458 4.2548 4.3814 4.3975 4.4530 4.4832 4.5526 4.5661
4.6180 4.6414 4.8150 4.8179 4.9440 4.9517 5.2306 5.2359
5.3018 5.3103 5.7988 5.8377 7.9765 7.9998 8.9952 9.0087
9.5551 9.5747 10.4696 10.4834
k =-0.1583 0.2773 0.9518 ( 4577 PWs) bands (ev):
-7.4850 -7.4843 -6.9485 -6.9465 -6.5344 -6.5339 -2.8842 -2.8773
0.8694 0.8996 1.4536 1.4568 1.6957 1.7197 2.3953 2.4312
2.5452 2.5795 2.8256 2.8344 2.9978 3.0625 3.1240 3.1593
4.2468 4.2610 4.3886 4.3996 4.4484 4.4789 4.5518 4.5644
4.6214 4.6412 4.8012 4.8031 4.9364 4.9453 5.2526 5.2671
5.3091 5.3270 5.8043 5.8424 7.9735 7.9987 9.0763 9.0903
9.5930 9.6094 10.5104 10.5238
k =-0.1497 0.2624 0.9643 ( 4575 PWs) bands (ev):
-7.4840 -7.4833 -6.9474 -6.9455 -6.5314 -6.5310 -2.8915 -2.8848
0.8423 0.8717 1.4619 1.4644 1.6727 1.6948 2.3927 2.4285
2.5784 2.6156 2.8094 2.8119 3.0036 3.0662 3.1199 3.1522
4.2479 4.2659 4.3950 4.4029 4.4438 4.4745 4.5508 4.5630
4.6247 4.6419 4.7876 4.7887 4.9293 4.9396 5.2679 5.2845
5.3328 5.3539 5.8097 5.8466 7.9674 7.9946 9.1601 9.1746
9.6291 9.6421 10.5551 10.5679
k =-0.1412 0.2474 0.9767 ( 4581 PWs) bands (ev):
-7.4831 -7.4824 -6.9464 -6.9445 -6.5283 -6.5280 -2.8989 -2.8921
0.8172 0.8458 1.4701 1.4714 1.6501 1.6694 2.3871 2.4244
2.6106 2.6500 2.7894 2.7939 3.0102 3.0707 3.1162 3.1453
4.2489 4.2697 4.4004 4.4070 4.4395 4.4702 4.5497 4.5619
4.6276 4.6431 4.7742 4.7749 4.9233 4.9348 5.2781 5.2906
5.3701 5.3887 5.8153 5.8506 7.9575 7.9867 9.2454 9.2604
9.6638 9.6733 10.6030 10.6152
k =-0.1327 0.2324 0.9891 ( 4579 PWs) bands (ev):
-7.4823 -7.4816 -6.9453 -6.9435 -6.5252 -6.5248 -2.9062 -2.8994
0.7942 0.8221 1.4770 1.4780 1.6292 1.6443 2.3790 2.4186
2.6402 2.6814 2.7682 2.7799 3.0177 3.0758 3.1130 3.1386
4.2499 4.2723 4.4049 4.4115 4.4358 4.4660 4.5485 4.5609
4.6298 4.6448 4.7612 4.7618 4.9189 4.9313 5.2858 5.2940
5.4122 5.4283 5.8211 5.8545 7.9434 7.9743 9.3313 9.3468
9.6974 9.7033 10.6536 10.6651
k =-0.1241 0.2175 1.0015 ( 4575 PWs) bands (ev):
-7.4817 -7.4809 -6.9442 -6.9425 -6.5219 -6.5217 -2.9132 -2.9065
0.7734 0.8005 1.4800 1.4847 1.6114 1.6206 2.3682 2.4104
2.6657 2.7075 2.7509 2.7691 3.0261 3.0817 3.1104 3.1324
4.2510 4.2741 4.4084 4.4153 4.4334 4.4620 4.5474 4.5602
4.6313 4.6468 4.7487 4.7495 4.9163 4.9292 5.2924 5.2966
5.4566 5.4711 5.8274 5.8585 7.9247 7.9571 9.4166 9.4326
9.7302 9.7328 10.7057 10.7165
k =-0.1156 0.2025 1.0139 ( 4570 PWs) bands (ev):
-7.4812 -7.4804 -6.9432 -6.9416 -6.5186 -6.5184 -2.9201 -2.9133
0.7549 0.7812 1.4789 1.4892 1.5987 1.6000 2.3544 2.3992
2.6851 2.7161 2.7502 2.7636 3.0352 3.0881 3.1086 3.1267
4.2522 4.2753 4.4110 4.4168 4.4338 4.4584 4.5463 4.5595
4.6319 4.6488 4.7368 4.7380 4.9157 4.9287 5.2985 5.2989
5.5026 5.5160 5.8341 5.8626 7.9011 7.9347 9.4998 9.5164
9.7620 9.7626 10.7582 10.7683
k =-0.1070 0.1876 1.0263 ( 4581 PWs) bands (ev):
-7.4809 -7.4801 -6.9422 -6.9406 -6.5152 -6.5151 -2.9266 -2.9199
0.7387 0.7642 1.4722 1.4891 1.5847 1.5926 2.3374 2.3843
2.6963 2.7065 2.7658 2.7676 3.0446 3.0946 3.1079 3.1220
4.2533 4.2759 4.4126 4.4157 4.4370 4.4551 4.5453 4.5589
4.6314 4.6507 4.7255 4.7275 4.9170 4.9295 5.3009 5.3041
5.5498 5.5625 5.8415 5.8671 7.8728 7.9072 9.5792 9.5965
9.7910 9.7946 10.8097 10.8191
k =-0.0985 0.1726 1.0387 ( 4582 PWs) bands (ev):
-7.4808 -7.4799 -6.9412 -6.9397 -6.5118 -6.5118 -2.9327 -2.9260
0.7248 0.7495 1.4604 1.4821 1.5774 1.5931 2.3170 2.3654
2.6965 2.7008 2.7750 2.7856 3.0537 3.0998 3.1090 3.1195
4.2547 4.2763 4.4131 4.4138 4.4414 4.4523 4.5445 4.5584
4.6300 4.6524 4.7148 4.7181 4.9199 4.9317 5.3026 5.3095
5.5979 5.6100 5.8496 5.8720 7.8401 7.8748 9.6530 9.6711
9.8196 9.8259 10.8587 10.8674
k =-0.0900 0.1576 1.0511 ( 4576 PWs) bands (ev):
-7.4809 -7.4801 -6.9403 -6.9388 -6.5084 -6.5084 -2.9384 -2.9316
0.7133 0.7372 1.4449 1.4686 1.5781 1.5986 2.2932 2.3423
2.6899 2.7025 2.7871 2.8012 3.0615 3.1012 3.1123 3.1216
4.2561 4.2767 4.4105 4.4142 4.4461 4.4500 4.5441 4.5578
4.6277 4.6538 4.7050 4.7098 4.9242 4.9349 5.3040 5.3144
5.6465 5.6581 5.8584 5.8776 7.8034 7.8382 9.7188 9.7378
9.8476 9.8561 10.9040 10.9117
k =-0.0814 0.1427 1.0635 ( 4578 PWs) bands (ev):
-7.4812 -7.4804 -6.9394 -6.9380 -6.5051 -6.5050 -2.9435 -2.9368
0.7042 0.7272 1.4277 1.4512 1.5843 1.6077 2.2662 2.3153
2.6871 2.7045 2.7993 2.8142 3.0672 3.0991 3.1183 3.1276
4.2577 4.2770 4.4077 4.4142 4.4482 4.4504 4.5441 4.5572
4.6245 4.6546 4.6962 4.7027 4.9295 4.9389 5.3048 5.3188
5.6952 5.7062 5.8681 5.8837 7.7636 7.7979 9.7742 9.7933
9.8750 9.8846 10.9443 10.9509
k =-0.0814 0.1427 1.0635 ( 4578 PWs) bands (ev):
-7.4812 -7.4804 -6.9394 -6.9380 -6.5051 -6.5050 -2.9435 -2.9368
0.7042 0.7272 1.4277 1.4512 1.5843 1.6077 2.2662 2.3153
2.6871 2.7045 2.7993 2.8142 3.0672 3.0991 3.1183 3.1276
4.2577 4.2770 4.4077 4.4142 4.4482 4.4504 4.5441 4.5572
4.6245 4.6546 4.6962 4.7027 4.9295 4.9389 5.3048 5.3188
5.6952 5.7062 5.8681 5.8837 7.7636 7.7979 9.7742 9.7933
9.8750 9.8846 10.9443 10.9509
k =-0.0712 0.1248 1.0635 ( 4578 PWs) bands (ev):
-7.4723 -7.4716 -6.9415 -6.9403 -6.4985 -6.4984 -2.9605 -2.9546
0.7039 0.7247 1.4023 1.4245 1.6017 1.6264 2.2237 2.2695
2.6910 2.7061 2.8066 2.8193 3.0720 3.0968 3.1281 3.1384
4.2628 4.2777 4.4074 4.4118 4.4481 4.4534 4.5431 4.5565
4.6238 4.6504 4.6851 4.6890 4.9315 4.9384 5.3029 5.3152
5.7486 5.7595 5.8823 5.8961 7.7079 7.7400 9.7937 9.8102
9.8799 9.8889 10.9957 11.0020
k =-0.0611 0.1070 1.0635 ( 4578 PWs) bands (ev):
-7.4647 -7.4640 -6.9430 -6.9420 -6.4927 -6.4926 -2.9753 -2.9703
0.7044 0.7228 1.3784 1.3984 1.6232 1.6481 2.1818 2.2242
2.6948 2.7078 2.8124 2.8228 3.0748 3.0942 3.1390 3.1490
4.2673 4.2785 4.4068 4.4090 4.4483 4.4553 4.5423 4.5553
4.6241 4.6464 4.6766 4.6780 4.9331 4.9380 5.3013 5.3119
5.8009 5.8115 5.8952 5.9072 7.6531 7.6824 9.8076 9.8206
9.8883 9.8952 11.0402 11.0459
k =-0.0509 0.0892 1.0635 ( 4578 PWs) bands (ev):
-7.4584 -7.4578 -6.9440 -6.9432 -6.4877 -6.4877 -2.9880 -2.9838
0.7057 0.7214 1.3572 1.3744 1.6470 1.6715 2.1415 2.1802
2.6984 2.7092 2.8168 2.8252 3.0764 3.0916 3.1498 3.1586
4.2713 4.2792 4.4057 4.4062 4.4490 4.4563 4.5418 4.5537
4.6249 4.6427 4.6695 4.6703 4.9344 4.9378 5.3000 5.3089
5.8506 5.8604 5.9067 5.9168 7.6012 7.6272 9.8167 9.8258
9.8988 9.9032 11.0771 11.0822
k =-0.0407 0.0713 1.0635 ( 4578 PWs) bands (ev):
-7.4532 -7.4528 -6.9447 -6.9441 -6.4837 -6.4836 -2.9984 -2.9951
0.7074 0.7203 1.3394 1.3535 1.6719 1.6951 2.1041 2.1386
2.7017 2.7103 2.8203 2.8267 3.0775 3.0892 3.1596 3.1667
4.2746 4.2800 4.4034 4.4043 4.4499 4.4566 4.5415 4.5517
4.6261 4.6395 4.6633 4.6656 4.9355 4.9377 5.2990 5.3062
5.8956 5.9041 5.9166 5.9251 7.5545 7.5765 9.8221 9.8282
9.9092 9.9116 11.1063 11.1106
k =-0.0305 0.0535 1.0635 ( 4584 PWs) bands (ev):
-7.4493 -7.4489 -6.9451 -6.9447 -6.4805 -6.4804 -3.0064 -3.0040
0.7094 0.7193 1.3255 1.3363 1.6966 1.7172 2.0715 2.1005
2.7045 2.7110 2.8229 2.8276 3.0784 3.0869 3.1677 3.1731
4.2772 4.2806 4.4012 4.4027 4.4510 4.4565 4.5415 4.5495
4.6273 4.6367 4.6593 4.6621 4.9362 4.9377 5.2984 5.3038
5.9238 5.9293 5.9352 5.9431 7.5155 7.5328 9.8254 9.8292
9.9181 9.9193 11.1283 11.1316
k =-0.0204 0.0357 1.0635 ( 4584 PWs) bands (ev):
-7.4465 -7.4462 -6.9454 -6.9450 -6.4782 -6.4781 -3.0121 -3.0105
0.7115 0.7182 1.3159 1.3232 1.7192 1.7354 2.0462 2.0680
2.7069 2.7112 2.8248 2.8279 3.0793 3.0849 3.1740 3.1776
4.2791 4.2811 4.3997 4.4011 4.4522 4.4560 4.5419 4.5474
4.6286 4.6344 4.6570 4.6596 4.9368 4.9376 5.2982 5.3018
5.9302 5.9341 5.9650 5.9705 7.4863 7.4983 9.8273 9.8295
9.9248 9.9253 11.1435 11.1458
k =-0.0102 0.0178 1.0635 ( 4584 PWs) bands (ev):
-7.4448 -7.4447 -6.9454 -6.9453 -6.4768 -6.4768 -3.0154 -3.0145
0.7135 0.7169 1.3107 1.3144 1.7370 1.7462 2.0317 2.0436
2.7088 2.7109 2.8262 2.8277 3.0804 3.0831 3.1782 3.1800
4.2804 4.2813 4.3990 4.3998 4.4534 4.4554 4.5427 4.5455
4.6298 4.6326 4.6563 4.6577 4.9372 4.9376 5.2985 5.3003
5.9344 5.9363 5.9846 5.9874 7.4692 7.4753 9.8285 9.8294
9.9289 9.9291 11.1525 11.1537
k = 0.0000 0.0000 1.0635 ( 4582 PWs) bands (ev):
-7.4442 -7.4442 -6.9454 -6.9454 -6.4763 -6.4763 -3.0162 -3.0162
0.7154 0.7154 1.3102 1.3102 1.7468 1.7468 2.0307 2.0307
2.7101 2.7101 2.8272 2.8272 3.0816 3.0816 3.1802 3.1802
4.2811 4.2811 4.3991 4.3991 4.4545 4.4545 4.5439 4.5439
4.6310 4.6310 4.6566 4.6566 4.9374 4.9374 5.2992 5.2992
5.9364 5.9364 5.9923 5.9923 7.4654 7.4654 9.8291 9.8291
9.9303 9.9303 11.1559 11.1559
k = 0.0000 0.0000 1.0635 ( 4582 PWs) bands (ev):
-7.4442 -7.4442 -6.9454 -6.9454 -6.4763 -6.4763 -3.0162 -3.0162
0.7154 0.7154 1.3102 1.3102 1.7468 1.7468 2.0307 2.0307
2.7101 2.7101 2.8272 2.8272 3.0816 3.0816 3.1802 3.1802
4.2811 4.2811 4.3991 4.3991 4.4545 4.4545 4.5439 4.5439
4.6310 4.6310 4.6566 4.6566 4.9374 4.9374 5.2992 5.2992
5.9364 5.9364 5.9923 5.9923 7.4654 7.4654 9.8291 9.8291
9.9303 9.9303 11.1559 11.1559
k = 0.0179 0.0102 1.0635 ( 4586 PWs) bands (ev):
-7.4442 -7.4441 -6.9457 -6.9455 -6.4764 -6.4760 -3.0164 -3.0160
0.7148 0.7162 1.3061 1.3085 1.7477 1.7517 2.0297 2.0372
2.6991 2.7138 2.8183 2.8386 3.0802 3.0812 3.1792 3.1818
4.2756 4.2855 4.3903 4.4076 4.4482 4.4609 4.5394 4.5487
4.6236 4.6358 4.6529 4.6664 4.9324 4.9426 5.2971 5.3033
5.9295 5.9321 5.9902 5.9927 7.4681 7.4743 9.8131 9.8424
9.9166 9.9455 11.1566 11.1588
k = 0.0357 0.0204 1.0635 ( 4586 PWs) bands (ev):
-7.4441 -7.4439 -6.9463 -6.9459 -6.4762 -6.4753 -3.0167 -3.0160
0.7145 0.7172 1.2968 1.3012 1.7543 1.7618 2.0342 2.0491
2.6829 2.7087 2.8135 2.8505 3.0770 3.0790 3.1789 3.1839
4.2693 4.2886 4.3822 4.4151 4.4421 4.4675 4.5353 4.5538
4.6166 4.6341 4.6593 4.6793 4.9278 4.9476 5.2972 5.3093
5.9121 5.9168 5.9863 5.9917 7.4822 7.4943 9.7956 9.8497
9.9077 9.9610 11.1608 11.1651
k = 0.0536 0.0306 1.0635 ( 4576 PWs) bands (ev):
-7.4439 -7.4436 -6.9472 -6.9466 -6.4758 -6.4745 -3.0170 -3.0160
0.7145 0.7184 1.2832 1.2891 1.7660 1.7761 2.0436 2.0660
2.6628 2.6954 2.8125 2.8614 3.0721 3.0753 3.1793 3.1864
4.2627 4.2901 4.3753 4.4207 4.4363 4.4744 4.5316 4.5587
4.6110 4.6306 4.6714 4.6940 4.9241 4.9527 5.2993 5.3167
5.8854 5.8918 5.9807 5.9894 7.5063 7.5239 9.7771 9.8462
9.9084 9.9764 11.1686 11.1749
k = 0.0714 0.0408 1.0635 ( 4574 PWs) bands (ev):
-7.4436 -7.4432 -6.9484 -6.9476 -6.4751 -6.4734 -3.0174 -3.0160
0.7147 0.7199 1.2665 1.2734 1.7820 1.7938 2.0575 2.0873
2.6399 2.6763 2.8133 2.8705 3.0658 3.0705 3.1802 3.1892
4.2561 4.2900 4.3700 4.4236 4.4313 4.4813 4.5282 4.5630
4.6071 4.6276 4.6869 4.7095 4.9218 4.9581 5.3027 5.3250
5.8512 5.8591 5.9737 5.9859 7.5387 7.5613 9.7580 9.8332
9.9173 9.9915 11.1799 11.1880
k = 0.0893 0.0510 1.0635 ( 4578 PWs) bands (ev):
-7.4432 -7.4427 -6.9498 -6.9488 -6.4743 -6.4722 -3.0178 -3.0161
0.7152 0.7217 1.2479 1.2553 1.8013 1.8140 2.0747 2.1121
2.6151 2.6539 2.8137 2.8773 3.0587 3.0647 3.1815 3.1921
4.2498 4.2882 4.3663 4.4224 4.4287 4.4879 4.5253 4.5662
4.6048 4.6255 4.7052 4.7249 4.9215 4.9642 5.3069 5.3334
5.8115 5.8209 5.9654 5.9813 7.5770 7.6041 9.7385 9.8158
9.9295 10.0062 11.1945 11.2042
k = 0.1071 0.0611 1.0635 ( 4580 PWs) bands (ev):
-7.4428 -7.4422 -6.9513 -6.9502 -6.4733 -6.4709 -3.0183 -3.0163
0.7159 0.7236 1.2286 1.2361 1.8230 1.8358 2.0942 2.1392
2.5890 2.6301 2.8126 2.8814 3.0512 3.0585 3.1830 3.1949
4.2442 4.2850 4.3641 4.4184 4.4276 4.4937 4.5229 4.5684
4.6038 4.6242 4.7255 4.7398 4.9238 4.9720 5.3108 5.3412
5.7687 5.7802 5.9560 5.9757 7.6191 7.6499 9.7190 9.7966
9.9427 10.0204 11.2123 11.2233
k = 0.1250 0.0713 1.0635 ( 4590 PWs) bands (ev):
-7.4424 -7.4417 -6.9528 -6.9516 -6.4723 -6.4695 -3.0187 -3.0165
0.7168 0.7257 1.2095 1.2168 1.8461 1.8587 2.1148 2.1673
2.5625 2.6062 2.8095 2.8826 3.0440 3.0523 3.1846 3.1975
4.2395 4.2807 4.3631 4.4143 4.4259 4.4983 4.5213 4.5696
4.6038 4.6235 4.7439 4.7559 4.9293 4.9823 5.3128 5.3469
5.7251 5.7395 5.9459 5.9694 7.6625 7.6966 9.6999 9.7769
9.9557 10.0339 11.2332 11.2451
k = 0.1429 0.0815 1.0635 ( 4584 PWs) bands (ev):
-7.4419 -7.4412 -6.9544 -6.9531 -6.4713 -6.4682 -3.0192 -3.0167
0.7179 0.7279 1.1914 1.1983 1.8699 1.8821 2.1349 2.1949
2.5367 2.5837 2.8042 2.8811 3.0375 3.0463 3.1862 3.2000
4.2359 4.2758 4.3631 4.4108 4.4234 4.5014 4.5208 4.5704
4.6044 4.6232 4.7556 4.7765 4.9385 4.9961 5.3113 5.3493
5.6833 5.7019 5.9353 5.9628 7.7051 7.7419 9.6816 9.7574
9.9680 10.0464 11.2568 11.2692
k = 0.1607 0.0917 1.0635 ( 4592 PWs) bands (ev):
-7.4415 -7.4407 -6.9559 -6.9545 -6.4703 -6.4669 -3.0196 -3.0169
0.7191 0.7300 1.1748 1.1814 1.8935 1.9052 2.1533 2.2201
2.5131 2.5633 2.7969 2.8772 3.0323 3.0408 3.1877 3.2021
4.2334 4.2704 4.3636 4.4079 4.4204 4.5030 4.5212 4.5709
4.6053 4.6229 4.7629 4.7971 4.9521 5.0135 5.3047 5.3465
5.6460 5.6700 5.9248 5.9561 7.7450 7.7840 9.6648 9.7390
9.9792 10.0577 11.2828 11.2952
k = 0.1786 0.1019 1.0635 ( 4590 PWs) bands (ev):
-7.4411 -7.4402 -6.9572 -6.9557 -6.4694 -6.4658 -3.0200 -3.0171
0.7202 0.7321 1.1605 1.1667 1.9159 1.9271 2.1690 2.2407
2.4936 2.5462 2.7883 2.8717 3.0284 3.0361 3.1891 3.2039
4.2320 4.2651 4.3646 4.4057 4.4171 4.5034 4.5224 4.5712
4.6066 4.6224 4.7675 4.8146 4.9706 5.0338 5.2921 5.3374
5.6156 5.6455 5.9149 5.9499 7.7803 7.8211 9.6500 9.7225
9.9889 10.0676 11.3108 11.3226
k = 0.1964 0.1121 1.0635 ( 4586 PWs) bands (ev):
-7.4408 -7.4398 -6.9583 -6.9568 -6.4686 -6.4649 -3.0202 -3.0172
0.7213 0.7339 1.1488 1.1548 1.9360 1.9463 2.1812 2.2551
2.4796 2.5328 2.7793 2.8655 3.0258 3.0323 3.1902 3.2054
4.2316 4.2602 4.3657 4.4044 4.4138 4.5033 4.5237 4.5715
4.6081 4.6218 4.7703 4.8275 4.9938 5.0553 5.2748 5.3219
5.5933 5.6288 5.9062 5.9444 7.8095 7.8516 9.6377 9.7086
9.9969 10.0756 11.3399 11.3510
k = 0.2143 0.1223 1.0635 ( 4590 PWs) bands (ev):
-7.4405 -7.4396 -6.9591 -6.9575 -6.4680 -6.4642 -3.0205 -3.0174
0.7221 0.7353 1.1402 1.1459 1.9524 1.9615 2.1898 2.2626
2.4719 2.5233 2.7713 2.8599 3.0244 3.0293 3.1910 3.2065
4.2319 4.2559 4.3667 4.4039 4.4106 4.5030 4.5248 4.5716
4.6096 4.6209 4.7718 4.8359 5.0194 5.0741 5.2564 5.3021
5.5791 5.6189 5.8993 5.9402 7.8314 7.8744 9.6285 9.6981
10.0028 10.0816 11.3686 11.3797
k = 0.2321 0.1325 1.0635 ( 4596 PWs) bands (ev):
-7.4404 -7.4394 -6.9596 -6.9580 -6.4677 -6.4638 -3.0206 -3.0174
0.7227 0.7362 1.1349 1.1405 1.9635 1.9710 2.1950 2.2650
2.4690 2.5176 2.7657 2.8560 3.0238 3.0273 3.1915 3.2071
4.2325 4.2528 4.3674 4.4043 4.4080 4.5027 4.5255 4.5717
4.6108 4.6201 4.7726 4.8405 5.0426 5.0854 5.2432 5.2833
5.5715 5.6139 5.8949 5.9375 7.8449 7.8885 9.6228 9.6915
10.0064 10.0852 11.3927 11.4076
k = 0.2500 0.1427 1.0635 ( 4600 PWs) bands (ev):
-7.4403 -7.4393 -6.9598 -6.9582 -6.4676 -6.4637 -3.0207 -3.0175
0.7229 0.7365 1.1331 1.1386 1.9675 1.9742 2.1968 2.2653
2.4684 2.5156 2.7636 2.8546 3.0236 3.0266 3.1917 3.2073
4.2328 4.2517 4.3676 4.4050 4.4064 4.5026 4.5257 4.5717
4.6112 4.6197 4.7729 4.8420 5.0535 5.0877 5.2392 5.2748
5.5692 5.6124 5.8933 5.9365 7.8495 7.8932 9.6209 9.6893
10.0076 10.0865 11.4031 11.4244
k = 0.2500 0.1427 1.0635 ( 4600 PWs) bands (ev):
-7.4403 -7.4393 -6.9598 -6.9582 -6.4676 -6.4637 -3.0207 -3.0175
0.7229 0.7365 1.1331 1.1386 1.9675 1.9742 2.1968 2.2653
2.4684 2.5156 2.7636 2.8546 3.0236 3.0266 3.1917 3.2073
4.2328 4.2517 4.3676 4.4050 4.4064 4.5026 4.5257 4.5717
4.6112 4.6197 4.7729 4.8420 5.0535 5.0877 5.2392 5.2748
5.5692 5.6124 5.8933 5.9365 7.8495 7.8932 9.6209 9.6893
10.0076 10.0865 11.4031 11.4244
k = 0.2414 0.1578 1.0510 ( 4600 PWs) bands (ev):
-7.4404 -7.4394 -6.9599 -6.9583 -6.4676 -6.4637 -3.0203 -3.0171
0.7244 0.7380 1.1327 1.1380 1.9687 1.9749 2.1972 2.2655
2.4698 2.5167 2.7615 2.8512 3.0261 3.0280 3.1910 3.2065
4.2330 4.2519 4.3670 4.4056 4.4067 4.5024 4.5256 4.5715
4.6113 4.6201 4.7723 4.8412 5.0540 5.0883 5.2379 5.2726
5.5709 5.6135 5.8910 5.9342 7.8503 7.8938 9.6154 9.6817
10.0103 10.0870 11.4010 11.4226
k = 0.2328 0.1729 1.0385 ( 4596 PWs) bands (ev):
-7.4406 -7.4396 -6.9604 -6.9588 -6.4677 -6.4639 -3.0192 -3.0160
0.7289 0.7425 1.1314 1.1361 1.9723 1.9769 2.1984 2.2660
2.4737 2.5198 2.7551 2.8413 3.0321 3.0331 3.1889 3.2041
4.2336 4.2524 4.3652 4.4073 4.4075 4.5018 4.5253 4.5710
4.6115 4.6214 4.7706 4.8388 5.0554 5.0900 5.2340 5.2661
5.5758 5.6168 5.8841 5.9272 7.8529 7.8956 9.5996 9.6605
10.0165 10.0874 11.3954 11.4180
k = 0.2241 0.1880 1.0259 ( 4594 PWs) bands (ev):
-7.4409 -7.4399 -6.9611 -6.9595 -6.4679 -6.4641 -3.0173 -3.0141
0.7364 0.7499 1.1295 1.1330 1.9780 1.9801 2.2005 2.2669
2.4803 2.5251 2.7450 2.8264 3.0384 3.0432 3.1854 3.2000
4.2347 4.2534 4.3623 4.4088 4.4099 4.5007 4.5248 4.5701
4.6119 4.6234 4.7679 4.8349 5.0577 5.0928 5.2279 5.2561
5.5833 5.6219 5.8727 5.9157 7.8572 7.8985 9.5755 9.6294
10.0216 10.0850 11.3884 11.4131
k = 0.2155 0.2031 1.0134 ( 4590 PWs) bands (ev):
-7.4413 -7.4404 -6.9620 -6.9605 -6.4682 -6.4644 -3.0147 -3.0116
0.7470 0.7602 1.1269 1.1290 1.9842 1.9856 2.2033 2.2682
2.4892 2.5325 2.7318 2.8076 3.0464 3.0550 3.1806 3.1945
4.2362 4.2547 4.3587 4.4106 4.4131 4.4994 4.5241 4.5690
4.6123 4.6263 4.7644 4.8295 5.0608 5.0967 5.2201 5.2434
5.5925 5.6282 5.8569 5.8998 7.8632 7.9027 9.5453 9.5919
10.0212 10.0767 11.3810 11.4102
k = 0.2069 0.2182 1.0009 ( 4592 PWs) bands (ev):
-7.4419 -7.4409 -6.9632 -6.9617 -6.4686 -6.4648 -3.0115 -3.0083
0.7604 0.7734 1.1239 1.1243 1.9892 1.9948 2.2068 2.2698
2.5005 2.5421 2.7162 2.7862 3.0554 3.0676 3.1745 3.1875
4.2380 4.2563 4.3545 4.4127 4.4168 4.4977 4.5230 4.5676
4.6128 4.6299 4.7601 4.8228 5.0647 5.1015 5.2112 5.2290
5.6023 5.6351 5.8369 5.8795 7.8710 7.9083 9.5110 9.5506
10.0121 10.0598 11.3645 11.3959
k = 0.1983 0.2333 0.9884 ( 4588 PWs) bands (ev):
-7.4426 -7.4416 -6.9647 -6.9632 -6.4690 -6.4653 -3.0076 -3.0045
0.7768 0.7895 1.1191 1.1206 1.9948 2.0051 2.2109 2.2716
2.5136 2.5539 2.6990 2.7626 3.0649 3.0801 3.1675 3.1793
4.2402 4.2583 4.3497 4.4151 4.4208 4.4959 4.5216 4.5661
4.6133 4.6343 4.7553 4.8150 5.0691 5.1071 5.2020 5.2138
5.6121 5.6422 5.8129 5.8553 7.8806 7.9152 9.4739 9.5070
9.9929 10.0331 11.3295 11.3550
k = 0.1897 0.2484 0.9758 ( 4578 PWs) bands (ev):
-7.4433 -7.4424 -6.9664 -6.9649 -6.4695 -6.4659 -3.0031 -3.0000
0.7960 0.8083 1.1136 1.1172 2.0007 2.0161 2.2156 2.2735
2.5280 2.5679 2.6812 2.7376 3.0741 3.0915 3.1597 3.1704
4.2428 4.2606 4.3445 4.4175 4.4249 4.4939 4.5195 4.5646
4.6139 4.6394 4.7504 4.8062 5.0739 5.1132 5.1930 5.1987
5.6211 5.6488 5.7854 5.8274 7.8920 7.9236 9.4350 9.4616
9.9638 9.9968 11.2822 11.3046
k = 0.1810 0.2635 0.9633 ( 4566 PWs) bands (ev):
-7.4442 -7.4433 -6.9682 -6.9668 -6.4700 -6.4665 -2.9981 -2.9951
0.8180 0.8298 1.1082 1.1138 2.0068 2.0275 2.2206 2.2755
2.5423 2.5840 2.6643 2.7113 3.0822 3.1009 3.1518 3.1618
4.2457 4.2632 4.3389 4.4199 4.4291 4.4921 4.5167 4.5633
4.6146 4.6452 4.7456 4.7968 5.0787 5.1192 5.1846 5.1850
5.6286 5.6542 5.7549 5.7962 7.9052 7.9335 9.3942 9.4145
9.9270 9.9528 11.2244 11.2455
k = 0.1724 0.2786 0.9508 ( 4562 PWs) bands (ev):
-7.4451 -7.4442 -6.9703 -6.9689 -6.4706 -6.4672 -2.9927 -2.9896
0.8427 0.8540 1.1030 1.1107 2.0127 2.0387 2.2259 2.2773
2.5538 2.6021 2.6513 2.6842 3.0878 3.1058 3.1450 3.1556
4.2487 4.2661 4.3328 4.4217 4.4330 4.4905 4.5129 4.5625
4.6155 4.6516 4.7413 4.7870 5.0832 5.1240 5.1732 5.1783
5.6336 5.6580 5.7221 5.7623 7.9200 7.9447 9.3512 9.3651
9.8855 9.9040 11.1568 11.1778
k = 0.1638 0.2937 0.9382 ( 4568 PWs) bands (ev):
-7.4461 -7.4453 -6.9725 -6.9711 -6.4713 -6.4679 -2.9868 -2.9838
0.8700 0.8806 1.0984 1.1079 2.0185 2.0496 2.2311 2.2787
2.5574 2.6216 2.6474 2.6567 3.0890 3.1033 3.1413 3.1549
4.2520 4.2691 4.3263 4.4227 4.4364 4.4895 4.5081 4.5623
4.6168 4.6585 4.7376 4.7773 5.0867 5.1250 5.1670 5.1738
5.6339 5.6589 5.6896 5.7271 7.9363 7.9573 9.3051 9.3123
9.8427 9.8541 11.0820 11.1029
k = 0.1552 0.3088 0.9257 ( 4568 PWs) bands (ev):
-7.4472 -7.4464 -6.9748 -6.9735 -6.4720 -6.4687 -2.9806 -2.9776
0.8998 0.9096 1.0945 1.1057 2.0238 2.0598 2.2361 2.2792
2.5500 2.6257 2.6460 2.6557 3.0843 3.0937 3.1421 3.1594
4.2553 4.2723 4.3196 4.4223 4.4391 4.4895 4.5026 4.5628
4.6186 4.6657 4.7349 4.7680 5.0891 5.1206 5.1678 5.1719
5.6217 5.6528 5.6655 5.6948 7.9539 7.9711 9.2547 9.2554
9.8023 9.8066 11.0031 11.0236
k = 0.1466 0.3239 0.9132 ( 4564 PWs) bands (ev):
-7.4483 -7.4475 -6.9773 -6.9760 -6.4727 -6.4696 -2.9741 -2.9712
0.9320 0.9407 1.0915 1.1041 2.0288 2.0691 2.2405 2.2784
2.5352 2.5985 2.6678 2.6728 3.0748 3.0800 3.1464 3.1663
4.2584 4.2756 4.3127 4.4200 4.4408 4.4906 4.4970 4.5637
4.6213 4.6732 4.7332 4.7596 5.0900 5.1129 5.1727 5.1735
5.5908 5.6286 5.6561 5.6770 7.9725 7.9859 9.1937 9.1990
9.7647 9.7668 10.9235 10.9428
k = 0.1379 0.3390 0.9007 ( 4572 PWs) bands (ev):
-7.4494 -7.4487 -6.9797 -6.9785 -6.4734 -6.4704 -2.9674 -2.9646
0.9665 0.9736 1.0899 1.1032 2.0332 2.0773 2.2439 2.2756
2.5176 2.5705 2.6915 2.6942 3.0625 3.0643 3.1525 3.1738
4.2610 4.2789 4.3062 4.4151 4.4416 4.4919 4.4930 4.5650
4.6250 4.6804 4.7324 4.7526 5.0897 5.1046 5.1759 5.1815
5.5520 5.5907 5.6515 5.6698 7.9917 8.0013 9.1272 9.1377
9.7305 9.7382 10.8455 10.8631
k = 0.1293 0.3542 0.8881 ( 4586 PWs) bands (ev):
-7.4506 -7.4499 -6.9823 -6.9811 -6.4741 -6.4713 -2.9607 -2.9579
1.0031 1.0076 1.0903 1.1032 2.0371 2.0843 2.2455 2.2700
2.5001 2.5432 2.7157 2.7174 3.0477 3.0490 3.1591 3.1813
4.2622 4.2821 4.3008 4.4076 4.4413 4.4878 4.4966 4.5663
4.6300 4.6870 4.7327 4.7479 5.0887 5.0970 5.1807 5.1902
5.5111 5.5490 5.6466 5.6639 8.0112 8.0171 9.0566 9.0712
9.7051 9.7172 10.7712 10.7868
k = 0.1207 0.3693 0.8756 ( 4586 PWs) bands (ev):
-7.4518 -7.4511 -6.9848 -6.9837 -6.4749 -6.4722 -2.9539 -2.9512
1.0403 1.0414 1.0950 1.1042 2.0406 2.0900 2.2448 2.2607
2.4843 2.5175 2.7395 2.7408 3.0312 3.0351 3.1658 3.1882
4.2611 4.2852 4.2976 4.3975 4.4405 4.4850 4.5012 4.5675
4.6363 4.6919 4.7338 4.7464 5.0877 5.0908 5.1864 5.1988
5.4699 5.5066 5.6401 5.6569 8.0304 8.0328 8.9831 9.0006
9.6884 9.7037 10.7020 10.7153
k = 0.1121 0.3844 0.8631 ( 4584 PWs) bands (ev):
-7.4529 -7.4523 -6.9873 -6.9863 -6.4756 -6.4731 -2.9471 -2.9446
1.0643 1.0799 1.1075 1.1111 2.0437 2.0943 2.2407 2.2471
2.4712 2.4943 2.7622 2.7634 3.0154 3.0218 3.1722 3.1947
4.2571 4.2878 4.2973 4.3858 4.4394 4.4833 4.5063 4.5684
4.6439 4.6947 4.7357 4.7488 5.0862 5.0868 5.1921 5.2065
5.4298 5.4649 5.6319 5.6484 8.0482 8.0490 8.9082 8.9275
9.6796 9.6971 10.6388 10.6498
k = 0.1034 0.3995 0.8505 ( 4590 PWs) bands (ev):
-7.4541 -7.4535 -6.9898 -6.9888 -6.4763 -6.4740 -2.9405 -2.9381
1.0750 1.1019 1.1297 1.1431 2.0463 2.0970 2.2288 2.2324
2.4613 2.4745 2.7826 2.7838 3.0016 3.0099 3.1783 3.2004
4.2507 4.2896 4.2995 4.3733 4.4381 4.4821 4.5118 4.5689
4.6526 4.6955 4.7383 4.7548 5.0832 5.0864 5.1966 5.2121
5.3926 5.4255 5.6220 5.6382 8.0627 8.0664 8.8332 8.8535
9.6778 9.6965 10.5825 10.5913
k = 0.0948 0.4146 0.8380 ( 4590 PWs) bands (ev):
-7.4552 -7.4546 -6.9922 -6.9913 -6.4770 -6.4748 -2.9341 -2.9319
1.0805 1.1065 1.1714 1.1828 2.0485 2.0979 2.2061 2.2193
2.4546 2.4590 2.7993 2.8010 2.9910 3.0006 3.1840 3.2056
4.2430 4.2901 4.3032 4.3613 4.4369 4.4814 4.5174 4.5691
4.6620 4.6952 4.7417 4.7636 5.0819 5.0865 5.1985 5.2140
5.3603 5.3900 5.6105 5.6265 8.0762 8.0823 8.7597 8.7801
9.6818 9.7009 10.5335 10.5402
k = 0.0862 0.4297 0.8255 ( 4598 PWs) bands (ev):
-7.4562 -7.4557 -6.9944 -6.9936 -6.4777 -6.4756 -2.9280 -2.9259
1.0848 1.1097 1.2161 1.2256 2.0504 2.0964 2.1795 2.2017
2.4480 2.4504 2.8109 2.8135 2.9850 2.9951 3.1893 3.2101
4.2349 4.2883 4.3078 4.3511 4.4359 4.4807 4.5228 4.5689
4.6716 4.6947 4.7458 4.7742 5.0819 5.0867 5.1960 5.2095
5.3362 5.3610 5.5975 5.6133 8.0882 8.0963 8.6889 8.7089
9.6904 9.7093 10.4920 10.4968
k = 0.0776 0.4448 0.8130 ( 4600 PWs) bands (ev):
-7.4572 -7.4567 -6.9966 -6.9958 -6.4783 -6.4764 -2.9223 -2.9203
1.0892 1.1129 1.2622 1.2700 2.0515 2.0915 2.1502 2.1811
2.4410 2.4482 2.8163 2.8204 2.9845 2.9942 3.1942 3.2140
4.2270 4.2835 4.3128 4.3439 4.4353 4.4799 4.5279 4.5684
4.6810 4.6945 4.7510 4.7859 5.0825 5.0862 5.1880 5.1974
5.3225 5.3407 5.5834 5.5989 8.0987 8.1082 8.6218 8.6409
9.7024 9.7208 10.4579 10.4612
k = 0.0690 0.4599 0.8004 ( 4602 PWs) bands (ev):
-7.4581 -7.4577 -6.9985 -6.9979 -6.4788 -6.4772 -2.9169 -2.9151
1.0938 1.1161 1.3091 1.3155 2.0510 2.0810 2.1198 2.1604
2.4374 2.4473 2.8160 2.8218 2.9893 2.9978 3.1988 3.2173
4.2196 4.2755 4.3180 4.3402 4.4350 4.4789 4.5325 4.5676
4.6896 4.6948 4.7576 4.7983 5.0822 5.0833 5.1760 5.1807
5.3178 5.3295 5.5684 5.5834 8.1075 8.1178 8.5594 8.5773
9.7170 9.7343 10.4309 10.4331
k = 0.0603 0.4750 0.7879 ( 4596 PWs) bands (ev):
-7.4589 -7.4586 -7.0003 -6.9998 -6.4793 -6.4778 -2.9120 -2.9104
1.0986 1.1193 1.3566 1.3615 2.0451 2.0623 2.0929 2.1434
2.4361 2.4472 2.8115 2.8187 2.9978 3.0048 3.2031 3.2201
4.2131 4.2655 4.3233 4.3391 4.4352 4.4775 4.5368 4.5666
4.6957 4.6968 4.7660 4.8112 5.0751 5.0783 5.1647 5.1654
5.3186 5.3256 5.5530 5.5673 8.1148 8.1253 8.5026 8.5189
9.7330 9.7489 10.4105 10.4118
k = 0.0517 0.4901 0.7754 ( 4598 PWs) bands (ev):
-7.4597 -7.4594 -7.0019 -7.0014 -6.4797 -6.4785 -2.9076 -2.9063
1.1035 1.1221 1.4040 1.4076 2.0249 2.0351 2.0789 2.1315
2.4365 2.4476 2.8048 2.8128 3.0080 3.0137 3.2070 3.2223
4.2075 4.2545 4.3283 4.3397 4.4359 4.4755 4.5405 4.5653
4.6972 4.7023 4.7763 4.8241 5.0596 5.0678 5.1569 5.1587
5.3220 5.3261 5.5375 5.5509 8.1205 8.1307 8.4520 8.4665
9.7494 9.7638 10.3959 10.3966
k = 0.0431 0.5052 0.7628 ( 4588 PWs) bands (ev):
-7.4603 -7.4600 -7.0033 -7.0029 -6.4801 -6.4790 -2.9038 -2.9027
1.1083 1.1246 1.4509 1.4532 1.9930 2.0021 2.0763 2.1230
2.4378 2.4481 2.7974 2.8055 3.0185 3.0230 3.2107 3.2239
4.2032 4.2435 4.3330 4.3409 4.4373 4.4731 4.5438 4.5638
4.6990 4.7063 4.7885 4.8370 5.0384 5.0510 5.1562 5.1587
5.3265 5.3289 5.5227 5.5347 8.1249 8.1343 8.4083 8.4208
9.7655 9.7779 10.3861 10.3864
k = 0.0345 0.5203 0.7503 ( 4588 PWs) bands (ev):
-7.4608 -7.4606 -7.0044 -7.0041 -6.4803 -6.4795 -2.9007 -2.8997
1.1129 1.1264 1.4962 1.4973 1.9575 1.9664 2.0777 2.1163
2.4396 2.4484 2.7905 2.7980 3.0282 3.0316 3.2141 3.2250
4.2003 4.2332 4.3371 4.3425 4.4393 4.4701 4.5466 4.5622
4.7011 4.7087 4.8024 4.8493 5.0153 5.0313 5.1601 5.1621
5.3311 5.3326 5.5090 5.5194 8.1282 8.1363 8.3721 8.3823
9.7803 9.7905 10.3800 10.3801
k = 0.0259 0.5354 0.7378 ( 4590 PWs) bands (ev):
-7.4612 -7.4611 -7.0053 -7.0051 -6.4805 -6.4799 -2.8981 -2.8974
1.1171 1.1276 1.5385 1.5385 1.9226 1.9305 2.0807 2.1103
2.4416 2.4485 2.7849 2.7911 3.0363 3.0387 3.2171 3.2256
4.1989 4.2239 4.3405 4.3439 4.4420 4.4665 4.5490 4.5604
4.7033 4.7101 4.8174 4.8599 4.9934 5.0115 5.1657 5.1670
5.3352 5.3362 5.4974 5.5056 8.1307 8.1372 8.3438 8.3516
9.7930 9.8008 10.3766 10.3767
k = 0.0172 0.5505 0.7253 ( 4584 PWs) bands (ev):
-7.4615 -7.4614 -7.0059 -7.0058 -6.4806 -6.4802 -2.8963 -2.8958
1.1208 1.1279 1.5744 1.5751 1.8915 1.8977 2.0846 2.1046
2.4436 2.4483 2.7810 2.7854 3.0424 3.0440 3.2198 3.2255
4.1991 4.2159 4.3431 4.3451 4.4455 4.4625 4.5512 4.5587
4.7055 4.7104 4.8331 4.8672 4.9761 4.9932 5.1710 5.1716
5.3385 5.3392 5.4886 5.4944 8.1327 8.1372 8.3237 8.3290
9.8030 9.8083 10.3750 10.3751
k = 0.0086 0.5656 0.7127 ( 4584 PWs) bands (ev):
-7.4617 -7.4616 -7.0063 -7.0062 -6.4807 -6.4805 -2.8951 -2.8948
1.1238 1.1274 1.6006 1.6013 1.8691 1.8726 2.0890 2.0992
2.4453 2.4477 2.7790 2.7813 3.0464 3.0471 3.2220 3.2249
4.2009 4.2093 4.3448 4.3457 4.4494 4.4581 4.5532 4.5569
4.7074 4.7099 4.8484 4.8681 4.9670 4.9781 5.1747 5.1749
5.3408 5.3412 5.4836 5.4865 8.1343 8.1365 8.3121 8.3148
9.8097 9.8124 10.3744 10.3744
k = 0.0000 0.5807 0.7002 ( 4584 PWs) bands (ev):
-7.4617 -7.4617 -7.0064 -7.0064 -6.4806 -6.4806 -2.8946 -2.8946
1.1261 1.1261 1.6109 1.6109 1.8618 1.8618 2.0939 2.0939
2.4467 2.4467 2.7791 2.7791 3.0479 3.0479 3.2237 3.2237
4.2043 4.2043 4.3456 4.3456 4.4537 4.4537 4.5551 4.5551
4.7089 4.7089 4.8611 4.8611 4.9683 4.9683 5.1761 5.1761
5.3417 5.3417 5.4828 5.4828 8.1355 8.1355 8.3091 8.3091
9.8129 9.8129 10.3743 10.3743
k = 0.0000 0.5807 0.7002 ( 4584 PWs) bands (ev):
-7.4617 -7.4617 -7.0064 -7.0064 -6.4806 -6.4806 -2.8946 -2.8946
1.1261 1.1261 1.6109 1.6109 1.8618 1.8618 2.0939 2.0939
2.4467 2.4467 2.7791 2.7791 3.0479 3.0479 3.2237 3.2237
4.2043 4.2043 4.3456 4.3456 4.4537 4.4537 4.5551 4.5551
4.7089 4.7089 4.8611 4.8611 4.9683 4.9683 5.1761 5.1761
5.3417 5.3417 5.4828 5.4828 8.1355 8.1355 8.3091 8.3091
9.8129 9.8129 10.3743 10.3743
k = 0.0198 0.5875 0.6946 ( 4580 PWs) bands (ev):
-7.4619 -7.4618 -7.0062 -7.0060 -6.4813 -6.4812 -2.8943 -2.8939
1.1272 1.1275 1.6046 1.6135 1.8537 1.8654 2.0891 2.1028
2.4461 2.4477 2.7781 2.7835 3.0420 3.0538 3.2194 3.2273
4.1997 4.2088 4.3383 4.3538 4.4487 4.4590 4.5526 4.5580
4.7007 4.7168 4.8587 4.8635 4.9650 4.9705 5.1697 5.1833
5.3307 5.3412 5.4823 5.4982 8.1335 8.1338 8.3098 8.3111
9.7995 9.8071 10.3713 10.3717
k = 0.0397 0.5942 0.6891 ( 4584 PWs) bands (ev):
-7.4622 -7.4620 -7.0053 -7.0050 -6.4832 -6.4830 -2.8929 -2.8921
1.1308 1.1316 1.5951 1.6123 1.8421 1.8640 2.0885 2.1151
2.4458 2.4488 2.7803 2.7911 3.0359 3.0594 3.2144 3.2302
4.1950 4.2131 4.3317 4.3626 4.4441 4.4645 4.5505 4.5612
4.6925 4.7240 4.8566 4.8658 4.9606 4.9714 5.1634 5.1916
5.3136 5.3295 5.4968 5.5227 8.1278 8.1285 8.3130 8.3155
9.7682 9.7828 10.3633 10.3639
k = 0.0595 0.6009 0.6835 ( 4580 PWs) bands (ev):
-7.4627 -7.4625 -7.0039 -7.0033 -6.4863 -6.4859 -2.8906 -2.8893
1.1370 1.1383 1.5827 1.6069 1.8283 1.8577 2.0920 2.1300
2.4458 2.4501 2.7856 2.8019 3.0297 3.0647 3.2088 3.2323
4.1905 4.2171 4.3260 4.3722 4.4399 4.4702 4.5489 4.5647
4.6843 4.7302 4.8550 4.8678 4.9554 4.9710 5.1563 5.2010
5.2942 5.3135 5.5206 5.5515 8.1187 8.1198 8.3187 8.3224
9.7221 9.7426 10.3510 10.3518
k = 0.0794 0.6076 0.6779 ( 4582 PWs) bands (ev):
-7.4634 -7.4631 -7.0018 -7.0011 -6.4905 -6.4900 -2.8873 -2.8856
1.1455 1.1475 1.5677 1.5974 1.8133 1.8472 2.0986 2.1467
2.4463 2.4513 2.7935 2.8154 3.0234 3.0697 3.2027 3.2337
4.1862 4.2206 4.3212 4.3824 4.4363 4.4759 4.5478 4.5683
4.6761 4.7348 4.8546 4.8695 4.9495 4.9696 5.1475 5.2112
5.2733 5.3006 5.5487 5.5821 8.1064 8.1082 8.3266 8.3313
9.6650 9.6904 10.3356 10.3369
k = 0.0992 0.6143 0.6724 ( 4580 PWs) bands (ev):
-7.4644 -7.4641 -6.9992 -6.9982 -6.4956 -6.4951 -2.8831 -2.8810
1.1563 1.1592 1.5506 1.5839 1.7980 1.8338 2.1077 2.1646
2.4471 2.4526 2.8038 2.8313 3.0169 3.0741 3.1964 3.2346
4.1823 4.2235 4.3173 4.3932 4.4332 4.4816 4.5473 4.5719
4.6680 4.7371 4.8558 4.8711 4.9434 4.9671 5.1368 5.2200
5.2533 5.2937 5.5784 5.6128 8.0914 8.0942 8.3365 8.3422
9.6006 9.6298 10.3190 10.3210
k = 0.1191 0.6210 0.6668 ( 4589 PWs) bands (ev):
-7.4657 -7.4653 -6.9960 -6.9949 -6.5017 -6.5010 -2.8781 -2.8755
1.1693 1.1734 1.5317 1.5668 1.7830 1.8183 2.1183 2.1832
2.4482 2.4537 2.8159 2.8491 3.0104 3.0776 3.1901 3.2348
4.1787 4.2259 4.3142 4.4044 4.4307 4.4872 4.5473 4.5754
4.6598 4.7365 4.8591 4.8727 4.9372 4.9639 5.1247 5.2163
5.2469 5.2925 5.6078 5.6425 8.0745 8.0782 8.3482 8.3545
9.5326 9.5646 10.3027 10.3055
k = 0.1389 0.6277 0.6612 ( 4589 PWs) bands (ev):
-7.4673 -7.4669 -6.9923 -6.9910 -6.5084 -6.5077 -2.8723 -2.8693
1.1842 1.1899 1.5115 1.5465 1.7687 1.8016 2.1300 2.2020
2.4494 2.4546 2.8294 2.8683 3.0040 3.0799 3.1843 3.2346
4.1756 4.2276 4.3120 4.4159 4.4290 4.4925 4.5478 4.5787
4.6516 4.7328 4.8644 4.8743 4.9314 4.9601 5.1122 5.1983
5.2565 5.2958 5.6358 5.6705 8.0563 8.0609 8.3610 8.3681
9.4639 9.4978 10.2884 10.2919
k = 0.1588 0.6344 0.6557 ( 4581 PWs) bands (ev):
-7.4694 -7.4690 -6.9882 -6.9867 -6.5156 -6.5148 -2.8660 -2.8624
1.2006 1.2086 1.4903 1.5238 1.7552 1.7847 2.1421 2.2207
2.4506 2.4554 2.8439 2.8880 2.9977 3.0803 3.1796 3.2340
4.1730 4.2288 4.3104 4.4250 4.4306 4.4976 4.5491 4.5816
4.6434 4.7264 4.8713 4.8763 4.9261 4.9560 5.1002 5.1792
5.2694 5.3022 5.6614 5.6959 8.0375 8.0432 8.3747 8.3821
9.3971 9.4322 10.2770 10.2813
k = 0.1786 0.6411 0.6501 ( 4585 PWs) bands (ev):
-7.4720 -7.4716 -6.9837 -6.9821 -6.5230 -6.5222 -2.8591 -2.8550
1.2182 1.2293 1.4689 1.4993 1.7426 1.7679 2.1544 2.2389
2.4517 2.4561 2.8588 2.9075 2.9922 3.0785 3.1763 3.2331
4.1709 4.2295 4.3093 4.4256 4.4412 4.5022 4.5509 4.5840
4.6349 4.7176 4.8762 4.8816 4.9219 4.9517 5.0897 5.1619
5.2830 5.3106 5.6837 5.7178 8.0192 8.0257 8.3884 8.3961
9.3345 9.3703 10.2692 10.2745
k = 0.1984 0.6478 0.6446 ( 4585 PWs) bands (ev):
-7.4752 -7.4747 -6.9789 -6.9770 -6.5306 -6.5297 -2.8517 -2.8471
1.2362 1.2516 1.4479 1.4740 1.7312 1.7520 2.1665 2.2564
2.4526 2.4566 2.8737 2.9249 2.9886 3.0742 3.1748 3.2321
4.1696 4.2299 4.3085 4.4254 4.4528 4.5061 4.5532 4.5857
4.6262 4.7076 4.8780 4.8900 4.9196 4.9478 5.0811 5.1471
5.2966 5.3203 5.7021 5.7357 8.0020 8.0093 8.4015 8.4092
9.2785 9.3144 10.2650 10.2716
k = 0.2183 0.6545 0.6390 ( 4582 PWs) bands (ev):
-7.4791 -7.4786 -6.9738 -6.9717 -6.5380 -6.5371 -2.8441 -2.8389
1.2534 1.2749 1.4284 1.4487 1.7210 1.7373 2.1783 2.2727
2.4533 2.4569 2.8882 2.9373 2.9895 3.0676 3.1751 3.2312
4.1688 4.2301 4.3079 4.4255 4.4635 4.5092 4.5558 4.5868
4.6176 4.6975 4.8790 4.8967 4.9209 4.9445 5.0747 5.1355
5.3097 5.3305 5.7157 5.7490 7.9869 7.9949 8.4128 8.4204
9.2310 9.2667 10.2635 10.2717
k = 0.2381 0.6613 0.6334 ( 4584 PWs) bands (ev):
-7.4837 -7.4833 -6.9685 -6.9662 -6.5449 -6.5440 -2.8362 -2.8305
1.2678 1.2978 1.4124 1.4250 1.7122 1.7246 2.1895 2.2876
2.4539 2.4570 2.9018 2.9415 2.9973 3.0593 3.1765 3.2305
4.1688 4.2303 4.3071 4.4259 4.4720 4.5115 4.5584 4.5878
4.6090 4.6886 4.8792 4.8995 4.9272 4.9427 5.0709 5.1274
5.3220 5.3407 5.7242 5.7571 7.9745 7.9830 8.4214 8.4288
9.1938 9.2291 10.2626 10.2726
k = 0.2580 0.6680 0.6279 ( 4588 PWs) bands (ev):
-7.4892 -7.4888 -6.9630 -6.9605 -6.5513 -6.5504 -2.8282 -2.8218
1.2763 1.3171 1.4026 1.4064 1.7048 1.7144 2.2000 2.3006
2.4545 2.4568 2.9135 2.9397 3.0090 3.0510 3.1787 3.2304
4.1694 4.2304 4.3063 4.4265 4.4770 4.5131 4.5602 4.5893
4.6010 4.6822 4.8785 4.8991 4.9367 4.9430 5.0697 5.1231
5.3333 5.3504 5.7271 5.7597 7.9655 7.9743 8.4263 8.4338
9.1683 9.2033 10.2584 10.2700
k = 0.2778 0.6747 0.6223 ( 4582 PWs) bands (ev):
-7.4956 -7.4952 -6.9575 -6.9548 -6.5568 -6.5560 -2.8201 -2.8131
1.2759 1.3244 1.4003 1.4024 1.6986 1.7079 2.2095 2.3112
2.4555 2.4560 2.9206 2.9378 3.0164 3.0478 3.1810 3.2310
4.1708 4.2306 4.3052 4.4275 4.4771 4.5141 4.5604 4.5898
4.5965 4.6792 4.8774 4.8968 4.9458 4.9471 5.0716 5.1227
5.3433 5.3592 5.7243 5.7567 7.9602 7.9692 8.4274 8.4350
9.1554 9.1901 10.2472 10.2593
k = 0.2778 0.6747 0.6223 ( 4582 PWs) bands (ev):
-7.4956 -7.4952 -6.9575 -6.9548 -6.5568 -6.5560 -2.8201 -2.8131
1.2759 1.3244 1.4003 1.4024 1.6986 1.7079 2.2095 2.3112
2.4555 2.4560 2.9206 2.9378 3.0164 3.0478 3.1810 3.2310
4.1708 4.2306 4.3052 4.4275 4.4771 4.5141 4.5604 4.5898
4.5965 4.6792 4.8774 4.8968 4.9458 4.9471 5.0716 5.1227
5.3433 5.3592 5.7243 5.7567 7.9602 7.9692 8.4274 8.4350
9.1554 9.1901 10.2472 10.2593
k = 0.2840 0.6639 0.6050 ( 4574 PWs) bands (ev):
-7.5196 -7.5193 -6.9387 -6.9355 -6.5728 -6.5721 -2.7930 -2.7841
1.2591 1.3160 1.4156 1.4159 1.6808 1.6946 2.2398 2.3421
2.4519 2.4578 2.9285 2.9409 3.0218 3.0549 3.1876 3.2336
4.1766 4.2303 4.3027 4.4309 4.4694 4.5160 4.5554 4.5836
4.5976 4.6746 4.8744 4.8879 4.9614 4.9786 5.0830 5.1287
5.3714 5.3847 5.7080 5.7397 7.9503 7.9596 8.4282 8.4366
9.1371 9.1715 10.2001 10.2116
k = 0.2902 0.6530 0.5877 ( 4572 PWs) bands (ev):
-7.5478 -7.5475 -6.9179 -6.9141 -6.5894 -6.5888 -2.7619 -2.7511
1.2406 1.3048 1.4328 1.4338 1.6629 1.6817 2.2737 2.3759
2.4458 2.4577 2.9364 2.9446 3.0271 3.0619 3.1941 3.2356
4.1832 4.2275 4.3038 4.4339 4.4627 4.5172 4.5467 4.5815
4.5972 4.6687 4.8725 4.8804 4.9806 5.0098 5.0955 5.1360
5.3985 5.4092 5.6943 5.7251 7.9409 7.9508 8.4361 8.4454
9.1230 9.1569 10.1517 10.1626
k = 0.2963 0.6422 0.5704 ( 4576 PWs) bands (ev):
-7.5792 -7.5789 -6.8958 -6.8917 -6.6065 -6.6060 -2.7271 -2.7143
1.2209 1.2916 1.4523 1.4540 1.6463 1.6701 2.3098 2.4114
2.4383 2.4553 2.9444 2.9489 3.0321 3.0688 3.2004 3.2369
4.1902 4.2223 4.3087 4.4364 4.4577 4.5178 4.5366 4.5816
4.5954 4.6620 4.8721 4.8744 5.0021 5.0398 5.1090 5.1446
5.4243 5.4326 5.6835 5.7133 7.9323 7.9429 8.4514 8.4615
9.1127 9.1460 10.1020 10.1124
k = 0.3025 0.6314 0.5532 ( 4584 PWs) bands (ev):
-7.6131 -7.6128 -6.8733 -6.8687 -6.6240 -6.6236 -2.6886 -2.6739
1.2001 1.2769 1.4736 1.4761 1.6322 1.6603 2.3470 2.4273
2.4501 2.4511 2.9523 2.9538 3.0365 3.0754 3.2065 3.2377
4.1976 4.2155 4.3168 4.4375 4.4549 4.5180 4.5268 4.5825
4.5924 4.6550 4.8700 4.8735 5.0246 5.0677 5.1233 5.1547
5.4490 5.4548 5.6759 5.7044 7.9247 7.9362 8.4741 8.4850
9.1059 9.1385 10.0509 10.0607
k = 0.3087 0.6206 0.5359 ( 4578 PWs) bands (ev):
-7.6488 -7.6484 -6.8507 -6.8458 -6.6420 -6.6417 -2.6468 -2.6301
1.1789 1.2609 1.4962 1.4998 1.6211 1.6527 2.3841 2.4169
2.4458 2.4879 2.9588 2.9606 3.0403 3.0818 3.2124 3.2380
4.2052 4.2080 4.3275 4.4366 4.4548 4.5176 4.5186 4.5836
4.5883 4.6480 4.8675 4.8766 5.0474 5.0928 5.1384 5.1665
5.4729 5.4757 5.6722 5.6987 7.9184 7.9309 8.5042 8.5158
9.1022 9.1338 9.9981 10.0074
k = 0.3148 0.6098 0.5186 ( 4582 PWs) bands (ev):
-7.6858 -7.6854 -6.8285 -6.8234 -6.6602 -6.6601 -2.6019 -2.5833
1.1576 1.2443 1.5193 1.5250 1.6137 1.6472 2.4049 2.4151
2.4454 2.5264 2.9642 2.9684 3.0433 3.0878 3.2180 3.2379
4.2004 4.2126 4.3401 4.4339 4.4566 4.5124 4.5168 4.5830
4.5848 4.6414 4.8669 4.8815 5.0693 5.1140 5.1540 5.1800
5.4950 5.4960 5.6728 5.6965 7.9133 7.9272 8.5415 8.5539
9.1009 9.1315 9.9432 9.9522
k = 0.3210 0.5990 0.5013 ( 4586 PWs) bands (ev):
-7.7237 -7.7231 -6.8070 -6.8017 -6.6788 -6.6787 -2.5541 -2.5337
1.1367 1.2274 1.5415 1.5512 1.6109 1.6436 2.3919 2.4189
2.4709 2.5653 2.9695 2.9761 3.0456 3.0933 3.2234 3.2374
4.1929 4.2197 4.3543 4.4302 4.4593 4.5090 4.5157 4.5770
4.5861 4.6353 4.8682 4.8880 5.0897 5.1312 5.1702 5.1949
5.5123 5.5186 5.6785 5.6981 7.9098 7.9254 8.5859 8.5990
9.1014 9.1307 9.8857 9.8943
k = 0.3272 0.5882 0.4840 ( 4584 PWs) bands (ev):
-7.7621 -7.7614 -6.7864 -6.7809 -6.6975 -6.6975 -2.5039 -2.4816
1.1168 1.2109 1.5600 1.5784 1.6150 1.6419 2.3782 2.4100
2.5079 2.6042 2.9748 2.9834 3.0470 3.0984 3.2283 3.2365
4.1860 4.2263 4.3697 4.4254 4.4623 4.5084 4.5143 4.5701
4.5881 4.6301 4.8715 4.8960 5.1082 5.1450 5.1869 5.2103
5.5272 5.5404 5.6899 5.7041 7.9080 7.9256 8.6373 8.6509
9.1031 9.1307 9.8249 9.8332
k = 0.3334 0.5773 0.4667 ( 4582 PWs) bands (ev):
-7.8006 -7.7999 -6.7669 -6.7613 -6.7164 -6.7163 -2.4514 -2.4274
1.0983 1.1955 1.5716 1.6058 1.6286 1.6420 2.3638 2.3988
2.5462 2.6432 2.9797 2.9904 3.0476 3.1030 3.2329 3.2353
4.1797 4.2322 4.3861 4.4197 4.4653 4.5100 4.5129 4.5626
4.5915 4.6257 4.8769 4.9053 5.1243 5.1560 5.2040 5.2253
5.5397 5.5610 5.7076 5.7152 7.9079 7.9280 8.6953 8.7094
9.1050 9.1307 9.7599 9.7680
k = 0.3395 0.5665 0.4494 ( 4580 PWs) bands (ev):
-7.8391 -7.8383 -6.7488 -6.7429 -6.7353 -6.7349 -2.3972 -2.3715
1.0819 1.1817 1.5773 1.6303 1.6466 1.6500 2.3492 2.3865
2.5847 2.6822 2.9842 2.9969 3.0475 3.1072 3.2338 3.2370
4.1742 4.2373 4.4028 4.4134 4.4683 4.5116 4.5124 4.5545
4.5973 4.6225 4.8841 4.9156 5.1379 5.1648 5.2215 5.2394
5.5496 5.5794 5.7315 5.7324 7.9094 7.9327 8.7597 8.7741
9.1061 9.1294 9.6901 9.6980
k = 0.3457 0.5557 0.4321 ( 4588 PWs) bands (ev):
-7.8774 -7.8765 -6.7544 -6.7542 -6.7312 -6.7255 -2.3415 -2.3142
1.0681 1.1702 1.5806 1.6393 1.6678 1.6751 2.3344 2.3738
2.6229 2.7210 2.9881 3.0028 3.0467 3.1111 3.2321 3.2405
4.1695 4.2417 4.4067 4.4192 4.4710 4.5111 4.5142 4.5462
4.6067 4.6204 4.8930 4.9268 5.1489 5.1717 5.2395 5.2526
5.5573 5.5946 5.7564 5.7613 7.9125 7.9395 8.8300 8.8444
9.1049 9.1252 9.6154 9.6233
k = 0.3519 0.5449 0.4149 ( 4580 PWs) bands (ev):
-7.9151 -7.9143 -6.7731 -6.7729 -6.7154 -6.7095 -2.2848 -2.2559
1.0572 1.1615 1.5830 1.6422 1.6957 1.7016 2.3196 2.3608
2.6607 2.7596 2.9915 3.0082 3.0454 3.1148 3.2302 3.2435
4.1656 4.2455 4.4000 4.4342 4.4734 4.5116 4.5144 4.5382
4.6198 4.6206 4.9034 4.9386 5.1575 5.1768 5.2582 5.2654
5.5633 5.6063 5.7874 5.7965 7.9166 7.9483 8.9056 8.9193
9.0993 9.1158 9.5373 9.5450
k = 0.3580 0.5341 0.3976 ( 4586 PWs) bands (ev):
-7.9523 -7.9514 -6.7917 -6.7914 -6.7007 -6.6949 -2.2274 -2.1972
1.0497 1.1561 1.5851 1.6445 1.7241 1.7284 2.3052 2.3481
2.6978 2.7979 2.9943 3.0129 3.0436 3.1184 3.2281 3.2457
4.1624 4.2487 4.3934 4.4464 4.4754 4.5126 4.5128 4.5316
4.6215 4.6385 4.9148 4.9506 5.1641 5.1803 5.2772 5.2782
5.5678 5.6148 5.8245 5.8363 7.9212 7.9585 8.9849 8.9949
9.0862 9.0996 9.4604 9.4670
k = 0.3642 0.5233 0.3803 ( 4588 PWs) bands (ev):
-7.9887 -7.9877 -6.8101 -6.8097 -6.6873 -6.6815 -2.1699 -2.1384
1.0459 1.1543 1.5870 1.6469 1.7522 1.7548 2.2913 2.3357
2.7341 2.8356 2.9965 3.0170 3.0415 3.1221 3.2258 3.2474
4.1599 4.2514 4.3871 4.4545 4.4768 4.5095 4.5110 4.5304
4.6261 4.6600 4.9272 4.9627 5.1688 5.1824 5.2912 5.2970
5.5713 5.6207 5.8668 5.8803 7.9252 7.9695 9.0280 9.0387
9.0873 9.1111 9.3931 9.3969
k = 0.3704 0.5125 0.3630 ( 4582 PWs) bands (ev):
-8.0241 -8.0231 -6.8281 -6.8277 -6.6751 -6.6693 -2.1127 -2.0800
1.0464 1.1567 1.5888 1.6491 1.7794 1.7803 2.2782 2.3240
2.7691 2.8724 2.9982 3.0208 3.0394 3.1263 3.2232 3.2483
4.1581 4.2537 4.3811 4.4586 4.4777 4.5050 4.5056 4.5351
4.6350 4.6845 4.9401 4.9746 5.1721 5.1831 5.3052 5.3173
5.5739 5.6247 5.9135 5.9279 7.9270 7.9799 8.9717 8.9933
9.1684 9.1896 9.3448 9.3449
k = 0.3766 0.5016 0.3457 ( 4578 PWs) bands (ev):
-8.0586 -8.0576 -6.8458 -6.8454 -6.6640 -6.6583 -2.0561 -2.0225
1.0512 1.1633 1.5903 1.6513 1.8046 1.8055 2.2661 2.3133
2.8025 2.9076 2.9994 3.0247 3.0374 3.1311 3.2206 3.2487
4.1567 4.2554 4.3755 4.4594 4.4774 4.4977 4.5014 4.5406
4.6491 4.7112 4.9532 4.9861 5.1743 5.1827 5.3204 5.3382
5.5758 5.6271 5.9638 5.9787 7.9239 7.9873 8.8815 8.9164
9.2594 9.2778 9.3161 9.3207
k = 0.3827 0.4908 0.3284 ( 4570 PWs) bands (ev):
-8.0919 -8.0909 -6.8631 -6.8626 -6.6540 -6.6484 -2.0006 -1.9664
1.0606 1.1746 1.5915 1.6534 1.8273 1.8301 2.2553 2.3038
2.8338 2.9395 3.0003 3.0299 3.0357 3.1371 3.2177 3.2484
4.1557 4.2565 4.3703 4.4578 4.4759 4.4907 4.4977 4.5444
4.6685 4.7395 4.9660 4.9969 5.1755 5.1815 5.3370 5.3598
5.5772 5.6284 6.0171 6.0323 7.9124 7.9879 8.7760 8.8249
9.2974 9.3000 9.3624 9.3830
k = 0.3889 0.4800 0.3111 ( 4560 PWs) bands (ev):
-8.1239 -8.1229 -6.8798 -6.8793 -6.6450 -6.6396 -1.9467 -1.9120
1.0748 1.1905 1.5925 1.6556 1.8479 1.8527 2.2462 2.2958
2.8624 2.9652 3.0011 3.0338 3.0399 3.1447 3.2146 3.2477
4.1549 4.2569 4.3657 4.4542 4.4729 4.4848 4.4951 4.5461
4.6925 4.7688 4.9785 5.0070 5.1761 5.1797 5.3552 5.3820
5.5781 5.6286 6.0730 6.0884 7.8874 7.9755 8.6700 8.7321
9.2982 9.2994 9.4610 9.4819
k = 0.3951 0.4692 0.2939 ( 4564 PWs) bands (ev):
-8.1547 -8.1537 -6.8959 -6.8955 -6.6371 -6.6318 -1.8947 -1.8598
1.0937 1.2112 1.5934 1.6578 1.8663 1.8730 2.2389 2.2894
2.8877 2.9808 3.0019 3.0328 3.0573 3.1541 3.2113 3.2466
4.1541 4.2564 4.3617 4.4489 4.4687 4.4802 4.4934 4.5460
4.7197 4.7986 4.9902 5.0162 5.1761 5.1775 5.3754 5.4050
5.5787 5.6281 6.1310 6.1464 7.8433 7.9416 8.5775 8.6496
9.3055 9.3065 9.5631 9.5843
k = 0.4013 0.4584 0.2766 ( 4576 PWs) bands (ev):
-8.1840 -8.1831 -6.9115 -6.9110 -6.6300 -6.6250 -1.8450 -1.8102
1.1173 1.2365 1.5942 1.6603 1.8823 1.8907 2.2338 2.2848
2.9089 2.9871 3.0030 3.0320 3.0818 3.1657 3.2078 3.2453
4.1533 4.2548 4.3583 4.4425 4.4639 4.4768 4.4923 4.5447
4.7492 4.8283 5.0009 5.0241 5.1750 5.1758 5.3977 5.4289
5.5790 5.6270 6.1906 6.2061 7.7760 7.8779 8.5101 8.5853
9.3182 9.3218 9.6668 9.6885
k = 0.4074 0.4476 0.2593 ( 4578 PWs) bands (ev):
-8.2119 -8.2110 -6.9264 -6.9259 -6.6238 -6.6190 -1.7978 -1.7635
1.1453 1.2662 1.5951 1.6632 1.8956 1.9055 2.2311 2.2821
2.9258 2.9882 3.0047 3.0314 3.1090 3.1798 3.2041 3.2441
4.1522 4.2519 4.3557 4.4355 4.4589 4.4743 4.4915 4.5425
4.7802 4.8573 5.0106 5.0309 5.1726 5.1752 5.4223 5.4537
5.5792 5.6254 6.2516 6.2670 7.6855 7.7835 8.4712 8.5416
9.3374 9.3438 9.7713 9.7936
k = 0.4136 0.4367 0.2420 ( 4578 PWs) bands (ev):
-8.2382 -8.2373 -6.9405 -6.9400 -6.6184 -6.6138 -1.7535 -1.7199
1.1771 1.2996 1.5965 1.6669 1.9063 1.9174 2.2309 2.2813
2.9381 2.9867 3.0072 3.0309 3.1356 3.1958 3.2004 3.2437
4.1509 4.2477 4.3541 4.4284 4.4540 4.4724 4.4909 4.5397
4.8118 4.8849 5.0191 5.0364 5.1702 5.1745 5.4494 5.4798
5.5793 5.6234 6.3135 6.3287 7.5762 7.6656 8.4549 8.5160
9.3633 9.3724 9.8758 9.8988
k = 0.4198 0.4259 0.2247 ( 4582 PWs) bands (ev):
-8.2630 -8.2621 -6.9539 -6.9534 -6.6137 -6.6093 -1.7123 -1.6797
1.2122 1.3361 1.5989 1.6717 1.9146 1.9264 2.2330 2.2821
2.9464 2.9839 3.0104 3.0305 3.1592 3.1960 3.2142 3.2453
4.1492 4.2420 4.3533 4.4213 4.4496 4.4708 4.4903 4.5364
4.8432 4.9104 5.0266 5.0405 5.1679 5.1736 5.4791 5.5071
5.5793 5.6212 6.3758 6.3908 7.4544 7.5338 8.4529 8.5036
9.3962 9.4079 9.9794 10.0031
k = 0.4259 0.4151 0.2074 ( 4590 PWs) bands (ev):
-8.2861 -8.2853 -6.9664 -6.9660 -6.6096 -6.6055 -1.6742 -1.6429
1.2496 1.3743 1.6030 1.6781 1.9205 1.9327 2.2372 2.2844
2.9513 2.9804 3.0140 3.0303 3.1772 3.1917 3.2335 3.2508
4.1470 4.2348 4.3533 4.4146 4.4456 4.4695 4.4897 4.5329
4.8739 4.9331 5.0332 5.0430 5.1660 5.1727 5.5114 5.5358
5.5793 5.6187 6.4379 6.4527 7.3260 7.3961 8.4585 8.4994
9.4364 9.4504 10.0809 10.1055
k = 0.4321 0.4043 0.1901 ( 4594 PWs) bands (ev):
-8.3075 -8.3067 -6.9782 -6.9777 -6.6060 -6.6022 -1.6393 -1.6097
1.2881 1.4122 1.6103 1.6866 1.9246 1.9367 2.2431 2.2878
2.9537 2.9764 3.0179 3.0304 3.1871 3.1878 3.2532 3.2620
4.1444 4.2263 4.3541 4.4083 4.4422 4.4683 4.4892 4.5293
4.9032 4.9520 5.0392 5.0440 5.1646 5.1717 5.5461 5.5658
5.5797 5.6161 6.4994 6.5137 7.1959 7.2578 8.4672 8.4998
9.4837 9.4997 10.1793 10.2048
k = 0.4383 0.3935 0.1729 ( 4594 PWs) bands (ev):
-8.3272 -8.3265 -6.9890 -6.9886 -6.6030 -6.5995 -1.6078 -1.5800
1.3262 1.4468 1.6229 1.6980 1.9272 1.9391 2.2503 2.2919
2.9545 2.9720 3.0218 3.0307 3.1830 3.1911 3.2728 3.2779
4.1411 4.2165 4.3555 4.4025 4.4393 4.4671 4.4888 4.5255
4.9307 4.9667 5.0434 5.0452 5.1635 5.1709 5.5790 5.5827
5.5985 5.6138 6.5594 6.5733 7.0679 7.1226 8.4767 8.5023
9.5380 9.5554 10.2730 10.2995
k = 0.4445 0.3827 0.1556 ( 4602 PWs) bands (ev):
-8.3451 -8.3444 -6.9989 -6.9985 -6.6004 -6.5972 -1.5794 -1.5539
1.3623 1.4749 1.6431 1.7127 1.9288 1.9402 2.2582 2.2964
2.9540 2.9675 3.0256 3.0314 3.1786 3.1906 3.2918 3.2955
4.1375 4.2058 4.3573 4.3974 4.4371 4.4658 4.4884 4.5218
4.9558 4.9767 5.0410 5.0513 5.1631 5.1701 5.5794 5.6086
5.6239 5.6316 6.6170 6.6305 6.9448 6.9933 8.4855 8.5056
9.5984 9.6169 10.3606 10.3879
k = 0.4506 0.3719 0.1383 ( 4596 PWs) bands (ev):
-8.3612 -8.3606 -7.0078 -7.0074 -6.5982 -6.5954 -1.5543 -1.5311
1.3949 1.4945 1.6717 1.7311 1.9298 1.9408 2.2666 2.3010
2.9527 2.9629 3.0292 3.0323 3.1744 3.1879 3.3097 3.3131
4.1334 4.1943 4.3594 4.3928 4.4356 4.4645 4.4882 4.5181
4.9782 4.9823 5.0369 5.0575 5.1632 5.1696 5.5798 5.6071
5.6625 5.6660 6.6706 6.6841 6.8299 6.8724 8.4930 8.5085
9.6638 9.6831 10.4402 10.4678
k = 0.4568 0.3610 0.1210 ( 4600 PWs) bands (ev):
-8.3755 -8.3749 -7.0157 -7.0154 -6.5964 -6.5939 -1.5323 -1.5117
1.4230 1.5063 1.7065 1.7529 1.9308 1.9413 2.2749 2.3054
2.9508 2.9582 3.0325 3.0336 3.1703 3.1841 3.3261 3.3294
4.1291 4.1824 4.3616 4.3889 4.4347 4.4629 4.4881 4.5145
4.9842 4.9978 5.0313 5.0631 5.1639 5.1693 5.5803 5.6045
5.7012 5.7027 6.6973 6.7238 6.7468 6.7707 8.4989 8.5109
9.7330 9.7525 10.5088 10.5361
k = 0.4630 0.3502 0.1037 ( 4596 PWs) bands (ev):
-8.3879 -8.3874 -7.0226 -7.0224 -6.5949 -6.5927 -1.5134 -1.4954
1.4459 1.5127 1.7434 1.7767 1.9322 1.9425 2.2829 2.3093
2.9485 2.9536 3.0352 3.0357 3.1665 3.1798 3.3409 3.3440
4.1249 4.1703 4.3639 4.3855 4.4344 4.4612 4.4882 4.5111
4.9837 5.0143 5.0247 5.0678 5.1649 5.1692 5.5809 5.6019
5.7366 5.7425 6.6155 6.6510 6.7778 6.7873 8.5033 8.5124
9.8041 9.8233 10.5340 10.5528
k = 0.4691 0.3394 0.0864 ( 4592 PWs) bands (ev):
-8.3984 -8.3980 -7.0285 -7.0283 -6.5937 -6.5918 -1.4973 -1.4821
1.4640 1.5157 1.7787 1.8007 1.9349 1.9447 2.2904 2.3126
2.9460 2.9493 3.0369 3.0384 3.1632 3.1753 3.3537 3.3566
4.1208 4.1584 4.3661 4.3826 4.4349 4.4592 4.4886 4.5078
4.9818 5.0154 5.0297 5.0712 5.1663 5.1694 5.5818 5.5994
5.7714 5.7808 6.5299 6.5616 6.8184 6.8266 8.5064 8.5133
9.8747 9.8932 10.4945 10.5100
k = 0.4753 0.3286 0.0691 ( 4594 PWs) bands (ev):
-8.4070 -8.4067 -7.0334 -7.0332 -6.5926 -6.5912 -1.4840 -1.4718
1.4780 1.5166 1.8090 1.8221 1.9394 1.9485 2.2972 2.3150
2.9435 2.9454 3.0387 3.0408 3.1605 3.1709 3.3645 3.3669
4.1174 4.1473 4.3680 4.3803 4.4360 4.4568 4.4892 4.5048
4.9794 5.0071 5.0411 5.0732 5.1677 5.1698 5.5827 5.5969
5.8048 5.8163 6.4556 6.4833 6.8540 6.8609 8.5085 8.5135
9.9421 9.9593 10.4554 10.4691
k = 0.4815 0.3178 0.0519 ( 4598 PWs) bands (ev):
-8.4138 -8.4135 -7.0371 -7.0370 -6.5918 -6.5907 -1.4735 -1.4642
1.4887 1.5159 1.8321 1.8391 1.9459 1.9538 2.3032 2.3166
2.9411 2.9421 3.0405 3.0426 3.1586 3.1668 3.3730 3.3750
4.1150 4.1372 4.3698 4.3783 4.4377 4.4543 4.4902 4.5019
4.9774 4.9986 5.0505 5.0738 5.1689 5.1702 5.5839 5.5945
5.8355 5.8473 6.3950 6.4179 6.8831 6.8883 8.5099 8.5134
10.0028 10.0179 10.4222 10.4339
k = 0.4877 0.3070 0.0346 ( 4600 PWs) bands (ev):
-8.4186 -8.4184 -7.0398 -7.0397 -6.5912 -6.5905 -1.4656 -1.4594
1.4969 1.5142 1.8473 1.8506 1.9535 1.9593 2.3082 2.3171
2.9391 2.9396 3.0421 3.0437 3.1576 3.1633 3.3794 3.3807
4.1139 4.1286 4.3713 4.3767 4.4400 4.4514 4.4914 4.4993
4.9765 4.9909 5.0580 5.0732 5.1699 5.1707 5.5852 5.5923
5.8616 5.8716 6.3502 6.3671 6.9046 6.9082 8.5107 8.5129
10.0528 10.0644 10.3971 10.4060
k = 0.4938 0.2962 0.0173 ( 4598 PWs) bands (ev):
-8.4214 -8.4213 -7.0415 -7.0414 -6.5908 -6.5904 -1.4602 -1.4571
1.5031 1.5116 1.8556 1.8569 1.9601 1.9631 2.3121 2.3166
2.9379 2.9380 3.0433 3.0442 3.1576 3.1605 3.3833 3.3840
4.1146 4.1219 4.3727 4.3753 4.4426 4.4485 4.4929 4.4969
4.9772 4.9845 5.0639 5.0714 5.1706 5.1709 5.5867 5.5903
5.8806 5.8864 6.3238 6.3329 6.9182 6.9200 8.5114 8.5124
10.0872 10.0937 10.3821 10.3871
k = 0.5000 0.2853 0.0000 ( 4616 PWs) bands (ev):
-8.4223 -8.4223 -7.0420 -7.0420 -6.5905 -6.5905 -1.4574 -1.4574
1.5079 1.5079 1.8585 1.8585 1.9636 1.9636 2.3149 2.3149
2.9374 2.9374 3.0440 3.0440 3.1585 3.1585 3.3848 3.3848
4.1172 4.1172 4.3739 4.3739 4.4454 4.4454 4.4947 4.4947
4.9798 4.9798 5.0683 5.0683 5.1709 5.1709 5.5884 5.5884
5.8895 5.8895 6.3179 6.3179 6.9234 6.9234 8.5119 8.5119
10.1018 10.1018 10.3787 10.3787
k = 0.5000 0.2853 0.0000 ( 4616 PWs) bands (ev):
-8.4223 -8.4223 -7.0420 -7.0420 -6.5905 -6.5905 -1.4574 -1.4574
1.5079 1.5079 1.8585 1.8585 1.9636 1.9636 2.3149 2.3149
2.9374 2.9374 3.0440 3.0440 3.1585 3.1585 3.3848 3.3848
4.1172 4.1172 4.3739 4.3739 4.4454 4.4454 4.4947 4.4947
4.9798 4.9798 5.0683 5.0683 5.1709 5.1709 5.5884 5.5884
5.8895 5.8895 6.3179 6.3179 6.9234 6.9234 8.5119 8.5119
10.1018 10.1018 10.3787 10.3787
k = 0.4815 0.2748 0.0000 ( 4602 PWs) bands (ev):
-8.4229 -8.4229 -7.0414 -7.0410 -6.5904 -6.5899 -1.4583 -1.4579
1.5043 1.5067 1.8538 1.8642 1.9623 1.9639 2.3148 2.3178
2.9277 2.9463 3.0363 3.0497 3.1583 3.1587 3.3846 3.3852
4.1174 4.1206 4.3734 4.3746 4.4414 4.4492 4.4913 4.4985
4.9735 4.9759 5.0589 5.0792 5.1568 5.1877 5.5895 5.5955
5.8877 5.8892 6.3181 6.3191 6.9229 6.9241 8.5170 8.5189
10.1023 10.1024 10.3644 10.3698
k = 0.4630 0.2642 0.0000 ( 4606 PWs) bands (ev):
-8.4247 -8.4247 -7.0392 -7.0384 -6.5897 -6.5887 -1.4607 -1.4598
1.4964 1.5010 1.8500 1.8701 1.9600 1.9627 2.3179 2.3236
2.9168 2.9546 3.0262 3.0538 3.1579 3.1588 3.3844 3.3857
4.1212 4.1274 4.3728 4.3752 4.4370 4.4523 4.4881 4.5024
4.9596 4.9627 5.0488 5.0897 5.1464 5.2068 5.5988 5.6106
5.8840 5.8868 6.3196 6.3216 6.9227 6.9250 8.5339 8.5376
10.1039 10.1041 10.3307 10.3410
k = 0.4444 0.2536 0.0000 ( 4600 PWs) bands (ev):
-8.4276 -8.4275 -7.0356 -7.0343 -6.5883 -6.5868 -1.4645 -1.4631
1.4850 1.4916 1.8466 1.8751 1.9561 1.9593 2.3251 2.3332
2.9042 2.9624 3.0134 3.0568 3.1573 3.1587 3.3844 3.3863
4.1287 4.1375 4.3722 4.3759 4.4324 4.4549 4.4855 4.5066
4.9416 4.9434 5.0354 5.0909 5.1462 5.2277 5.6163 5.6332
5.8784 5.8824 6.3225 6.3255 6.9228 6.9262 8.5620 8.5676
10.1065 10.1069 10.2838 10.2987
k = 0.4259 0.2431 0.0000 ( 4598 PWs) bands (ev):
-8.4315 -8.4315 -7.0305 -7.0289 -6.5862 -6.5842 -1.4696 -1.4677
1.4714 1.4796 1.8426 1.8780 1.9499 1.9532 2.3375 2.3474
2.8893 2.9691 2.9984 3.0590 3.1567 3.1585 3.3845 3.3870
4.1394 4.1505 4.3716 4.3767 4.4277 4.4567 4.4838 4.5110
4.9208 4.9217 5.0178 5.0773 5.1597 5.2496 5.6417 5.6627
5.8712 5.8760 6.3268 6.3309 6.9232 6.9275 8.6002 8.6077
10.1100 10.1108 10.2293 10.2480
k = 0.4074 0.2325 0.0000 ( 4606 PWs) bands (ev):
-8.4364 -8.4364 -7.0240 -7.0221 -6.5834 -6.5810 -1.4760 -1.4738
1.4566 1.4663 1.8362 1.8771 1.9417 1.9445 2.3561 2.3668
2.8716 2.9696 2.9863 3.0608 3.1560 3.1582 3.3847 3.3878
4.1530 4.1659 4.3708 4.3774 4.4229 4.4572 4.4832 4.5157
4.8967 4.9012 4.9962 5.0549 5.1804 5.2721 5.6742 5.6977
5.8627 5.8677 6.3326 6.3378 6.9237 6.9290 8.6471 8.6566
10.1138 10.1156 10.1710 10.1924
k = 0.3889 0.2219 0.0000 ( 4598 PWs) bands (ev):
-8.4422 -8.4422 -7.0164 -7.0141 -6.5800 -6.5771 -1.4836 -1.4810
1.4417 1.4530 1.8256 1.8703 1.9331 1.9345 2.3807 2.3912
2.8510 2.9522 2.9886 3.0624 3.1552 3.1579 3.3851 3.3887
4.1692 4.1832 4.3701 4.3780 4.4185 4.4567 4.4841 4.5207
4.8724 4.8810 4.9712 5.0277 5.2045 5.2951 5.7132 5.7365
5.8539 5.8576 6.3399 6.3465 6.9245 6.9307 8.7011 8.7126
10.1018 10.1213 10.1268 10.1341
k = 0.3704 0.2114 0.0000 ( 4594 PWs) bands (ev):
-8.4488 -8.4488 -7.0078 -7.0051 -6.5760 -6.5727 -1.4923 -1.4894
1.4273 1.4405 1.8090 1.8552 1.9252 1.9268 2.4108 2.4198
2.8272 2.9277 2.9946 3.0638 3.1544 3.1574 3.3857 3.3898
4.1875 4.2018 4.3694 4.3786 4.4146 4.4551 4.4864 4.5260
4.8484 4.8612 4.9437 4.9976 5.2309 5.3188 5.7574 5.7743
5.8459 5.8482 6.3488 6.3573 6.9256 6.9325 8.7597 8.7733
10.0438 10.0751 10.1278 10.1290
k = 0.3519 0.2008 0.0000 ( 4594 PWs) bands (ev):
-8.4561 -8.4561 -6.9983 -6.9953 -6.5713 -6.5677 -1.5020 -1.4988
1.4141 1.4296 1.7855 1.8321 1.9180 1.9235 2.4449 2.4516
2.8003 2.8999 3.0007 3.0651 3.1535 3.1569 3.3863 3.3909
4.2073 4.2212 4.3686 4.3788 4.4117 4.4530 4.4898 4.5316
4.8251 4.8420 4.9144 4.9657 5.2594 5.3437 5.7962 5.8055
5.8327 5.8599 6.3596 6.3703 6.9268 6.9343 8.8204 8.8361
9.9836 10.0172 10.1348 10.1354
k = 0.3333 0.1902 0.0000 ( 4586 PWs) bands (ev):
-8.4639 -8.4639 -6.9881 -6.9849 -6.5661 -6.5621 -1.5126 -1.5092
1.4024 1.4209 1.7559 1.8032 1.9131 1.9223 2.4815 2.4849
2.7709 2.8700 3.0064 3.0662 3.1525 3.1564 3.3871 3.3922
4.2281 4.2406 4.3679 4.3787 4.4103 4.4507 4.4941 4.5376
4.8026 4.8234 4.8846 4.9332 5.2899 5.3702 5.7929 5.8180
5.8569 5.8970 6.3724 6.3861 6.9282 6.9362 8.8796 8.8974
9.9266 9.9627 10.1424 10.1427
k = 0.3148 0.1797 0.0000 ( 4588 PWs) bands (ev):
-8.4721 -8.4721 -6.9774 -6.9740 -6.5603 -6.5561 -1.5238 -1.5203
1.3923 1.4149 1.7215 1.7710 1.9101 1.9223 2.5176 2.5185
2.7399 2.8391 3.0117 3.0670 3.1515 3.1557 3.3881 3.3935
4.2493 4.2591 4.3673 4.3782 4.4105 4.4484 4.4991 4.5438
4.7811 4.8047 4.8554 4.9009 5.3223 5.3982 5.7803 5.8025
5.9097 5.9428 6.3875 6.4051 6.9297 6.9381 8.9331 8.9528
9.8763 9.9148 10.1503 10.1505
k = 0.2963 0.1691 0.0000 ( 4582 PWs) bands (ev):
-8.4806 -8.4806 -6.9664 -6.9628 -6.5541 -6.5496 -1.5357 -1.5320
1.3840 1.4117 1.6839 1.7374 1.9083 1.9228 2.5470 2.5519
2.7103 2.8096 3.0164 3.0677 3.1505 3.1550 3.3891 3.3948
4.2703 4.2761 4.3668 4.3775 4.4128 4.4463 4.5048 4.5504
4.7603 4.7853 4.8286 4.8697 5.3568 5.4281 5.7648 5.7862
5.9634 5.9901 6.4052 6.4276 6.9314 6.9400 8.9756 8.9968
9.8369 9.8775 10.1585 10.1586
k = 0.2778 0.1585 0.0000 ( 4582 PWs) bands (ev):
-8.4893 -8.4893 -6.9553 -6.9516 -6.5474 -6.5427 -1.5479 -1.5443
1.3771 1.4116 1.6445 1.7039 1.9072 1.9237 2.5680 2.5720
2.6913 2.7859 3.0208 3.0681 3.1495 3.1542 3.3903 3.3962
4.2905 4.2907 4.3664 4.3771 4.4169 4.4445 4.5113 4.5572
4.7404 4.7636 4.8059 4.8404 5.3930 5.4595 5.7481 5.7692
6.0170 6.0365 6.4256 6.4539 6.9332 6.9418 9.0015 9.0233
9.8133 9.8554 10.1667 10.1669
k = 0.2593 0.1480 0.0000 ( 4576 PWs) bands (ev):
-8.4980 -8.4980 -6.9442 -6.9404 -6.5403 -6.5356 -1.5604 -1.5568
1.3710 1.4145 1.6045 1.6722 1.9066 1.9248 2.5637 2.5736
2.6974 2.7745 3.0246 3.0682 3.1485 3.1535 3.3916 3.3977
4.3023 4.3092 4.3664 4.3772 4.4229 4.4431 4.5184 4.5644
4.7210 4.7396 4.7882 4.8137 5.4307 5.4923 5.7307 5.7519
6.0701 6.0813 6.4487 6.4841 6.9352 6.9436 9.0061 9.0272
9.8093 9.8520 10.1750 10.1753
k = 0.2407 0.1374 0.0000 ( 4562 PWs) bands (ev):
-8.5066 -8.5066 -6.9334 -6.9295 -6.5329 -6.5282 -1.5730 -1.5694
1.3650 1.4200 1.5652 1.6440 1.9062 1.9260 2.5315 2.5594
2.7239 2.7796 3.0282 3.0681 3.1475 3.1526 3.3929 3.3991
4.3108 4.3260 4.3667 4.3780 4.4302 4.4420 4.5262 4.5717
4.7021 4.7150 4.7742 4.7902 5.4696 5.5258 5.7130 5.7346
6.1223 6.1241 6.4745 6.5179 6.9373 6.9454 8.9878 9.0072
9.8254 9.8681 10.1832 10.1837
k = 0.2222 0.1268 0.0000 ( 4562 PWs) bands (ev):
-8.5150 -8.5150 -6.9229 -6.9191 -6.5254 -6.5207 -1.5855 -1.5821
1.3581 1.4269 1.5287 1.6210 1.9059 1.9273 2.4888 2.5290
2.7569 2.7975 3.0314 3.0678 3.1466 3.1518 3.3943 3.4005
4.3166 4.3404 4.3674 4.3793 4.4384 4.4413 4.5345 4.5791
4.6836 4.6910 4.7629 4.7700 5.5090 5.5592 5.6955 5.7179
6.1652 6.1737 6.5025 6.5544 6.9396 6.9472 8.9486 8.9657
9.8584 9.9011 10.1912 10.1920
k = 0.2037 0.1162 0.0000 ( 4556 PWs) bands (ev):
-8.5232 -8.5232 -6.9128 -6.9091 -6.5177 -6.5131 -1.5977 -1.5944
1.3491 1.4305 1.5001 1.6048 1.9055 1.9288 2.4414 2.4888
2.7909 2.8218 3.0343 3.0674 3.1457 3.1509 3.3958 3.4018
4.3203 4.3516 4.3689 4.3810 4.4409 4.4466 4.5433 4.5866
4.6656 4.6686 4.7534 4.7536 5.5484 5.5912 5.6785 5.7025
6.2053 6.2246 6.5320 6.5928 6.9421 6.9489 8.8928 8.9078
9.9028 9.9463 10.1990 10.2003
k = 0.1852 0.1057 0.0000 ( 4552 PWs) bands (ev):
-8.5309 -8.5309 -6.9033 -6.8998 -6.5101 -6.5057 -1.6095 -1.6064
1.3373 1.4190 1.4918 1.5966 1.9050 1.9302 2.3914 2.4432
2.8236 2.8480 3.0371 3.0669 3.1449 3.1500 3.3973 3.4031
4.3227 4.3589 4.3720 4.3827 4.4409 4.4542 4.5521 4.5938
4.6485 4.6487 4.7403 4.7459 5.5867 5.6189 5.6622 5.6909
6.2452 6.2757 6.5620 6.6317 6.9448 6.9506 8.8251 8.8385
9.9533 9.9986 10.2067 10.2087
k = 0.1667 0.0951 0.0000 ( 4544 PWs) bands (ev):
-8.5381 -8.5381 -6.8946 -6.8912 -6.5027 -6.4985 -1.6207 -1.6179
1.3228 1.3931 1.5034 1.5965 1.9043 1.9317 2.3397 2.3948
2.8543 2.8739 3.0398 3.0663 3.1442 3.1492 3.3988 3.4043
4.3243 4.3623 4.3765 4.3844 4.4413 4.4607 4.5604 4.6001
4.6317 4.6329 4.7304 4.7396 5.6215 5.6346 5.6487 5.6902
6.2857 6.3274 6.5913 6.6700 6.9477 6.9523 8.7499 8.7622
10.0058 10.0537 10.2145 10.2173
k = 0.1481 0.0845 0.0000 ( 4544 PWs) bands (ev):
-8.5448 -8.5448 -6.8865 -6.8834 -6.4956 -6.4917 -1.6312 -1.6286
1.3064 1.3638 1.5242 1.6039 1.9032 1.9332 2.2873 2.3449
2.8822 2.8980 3.0424 3.0657 3.1437 3.1484 3.4002 3.4054
4.3257 4.3635 4.3808 4.3860 4.4421 4.4657 4.5671 4.6033
4.6184 4.6211 4.7232 4.7345 5.6281 5.6327 5.6619 5.7055
6.3275 6.3804 6.6187 6.7062 6.9508 6.9540 8.6707 8.6823
10.0571 10.1077 10.2232 10.2265
k = 0.1296 0.0740 0.0000 ( 4542 PWs) bands (ev):
-8.5509 -8.5509 -6.8793 -6.8765 -6.4888 -6.4854 -1.6407 -1.6384
1.2894 1.3355 1.5499 1.6178 1.9016 1.9347 2.2349 2.2948
2.9070 2.9198 3.0452 3.0652 3.1432 3.1476 3.4016 3.4063
4.3270 4.3635 4.3843 4.3874 4.4433 4.4694 4.5705 4.5971
4.6105 4.6193 4.7183 4.7305 5.6161 5.6229 5.6919 5.7267
6.3707 6.4347 6.6430 6.7391 6.9541 6.9557 8.5907 8.6018
10.1042 10.1558 10.2350 10.2372
k = 0.1111 0.0634 0.0000 ( 4538 PWs) bands (ev):
-8.5563 -8.5563 -6.8729 -6.8704 -6.4827 -6.4796 -1.6493 -1.6473
1.2729 1.3095 1.5791 1.6367 1.8994 1.9359 2.1832 2.2453
2.9286 2.9387 3.0481 3.0649 3.1429 3.1469 3.4029 3.4071
4.3285 4.3626 4.3868 4.3887 4.4450 4.4717 4.5690 4.5863
4.6092 4.6229 4.7155 4.7274 5.6045 5.6118 5.7193 5.7470
6.4152 6.4898 6.6632 6.7675 6.9574 6.9575 8.5128 8.5235
10.1444 10.1905 10.2508 10.2554
k = 0.0926 0.0528 0.0000 ( 4532 PWs) bands (ev):
-8.5609 -8.5609 -6.8674 -6.8653 -6.4772 -6.4746 -1.6567 -1.6550
1.2579 1.2866 1.6111 1.6595 1.8962 1.9365 2.1334 2.1974
2.9467 2.9544 3.0512 3.0648 3.1427 3.1462 3.4041 3.4077
4.3302 4.3608 4.3887 4.3898 4.4472 4.4728 4.5643 4.5759
4.6124 4.6267 4.7142 4.7250 5.5944 5.6012 5.7428 5.7646
6.4602 6.5449 6.6786 6.7901 6.9594 6.9606 8.4398 8.4499
10.1750 10.2082 10.2691 10.2861
k = 0.0741 0.0423 0.0000 ( 4523 PWs) bands (ev):
-8.5648 -8.5648 -6.8629 -6.8611 -6.4725 -6.4703 -1.6629 -1.6615
1.2452 1.2671 1.6452 1.6848 1.8919 1.9355 2.0875 2.1521
2.9613 2.9669 3.0543 3.0648 3.1426 3.1456 3.4052 3.4082
4.3323 4.3582 4.3902 4.3908 4.4499 4.4727 4.5591 4.5669
4.6171 4.6297 4.7140 4.7231 5.5860 5.5918 5.7623 5.7789
6.5046 6.5980 6.6890 6.8058 6.9613 6.9635 8.3746 8.3839
10.1952 10.2165 10.2923 10.3180
k = 0.0556 0.0317 0.0000 ( 4521 PWs) bands (ev):
-8.5678 -8.5678 -6.8592 -6.8579 -6.4687 -6.4670 -1.6677 -1.6667
1.2353 1.2511 1.6803 1.7109 1.8863 1.9305 2.0494 2.1109
2.9725 2.9763 3.0574 3.0649 3.1427 3.1450 3.4062 3.4084
4.3347 4.3550 4.3913 4.3916 4.4530 4.4717 4.5545 4.5597
4.6218 4.6318 4.7145 4.7215 5.5794 5.5841 5.7776 5.7896
6.5468 6.6443 6.6966 6.8133 6.9632 6.9658 8.3202 8.3280
10.2076 10.2208 10.3171 10.3442
k = 0.0370 0.0211 0.0000 ( 4517 PWs) bands (ev):
-8.5700 -8.5700 -6.8566 -6.8557 -6.4658 -6.4647 -1.6712 -1.6705
1.2287 1.2390 1.7144 1.7354 1.8799 1.9173 2.0254 2.0752
2.9803 2.9826 3.0602 3.0650 3.1429 3.1445 3.4070 3.4085
4.3375 4.3514 4.3920 4.3922 4.4565 4.4698 4.5512 4.5542
4.6260 4.6328 4.7154 4.7202 5.5750 5.5782 5.7889 5.7967
6.5852 6.6676 6.7156 6.8116 6.9650 6.9673 8.2794 8.2851
10.2152 10.2229 10.3396 10.3618
k = 0.0185 0.0106 0.0000 ( 4517 PWs) bands (ev):
-8.5713 -8.5713 -6.8549 -6.8544 -6.4639 -6.4634 -1.6732 -1.6729
1.2256 1.2307 1.7432 1.7537 1.8755 1.8968 2.0192 2.0469
2.9850 2.9861 3.0623 3.0647 3.1432 3.1440 3.4076 3.4084
4.3406 4.3477 4.3925 4.3925 4.4602 4.4671 4.5493 4.5507
4.6293 4.6327 4.7165 4.7190 5.5726 5.5742 5.7964 5.8002
6.6182 6.6623 6.7488 6.8001 6.9665 6.9679 8.2545 8.2575
10.2198 10.2234 10.3572 10.3696
k = 0.0000 0.0000 0.0000 ( 4515 PWs) bands (ev):
-8.5717 -8.5717 -6.8542 -6.8542 -6.4631 -6.4631 -1.6738 -1.6738
1.2262 1.2262 1.7582 1.7582 1.8798 1.8798 2.0276 2.0276
2.9869 2.9869 3.0638 3.0638 3.1436 3.1436 3.4081 3.4081
4.3441 4.3441 4.3926 4.3926 4.4638 4.4638 4.5491 4.5491
4.6315 4.6315 4.7177 4.7177 5.5723 5.5723 5.8001 5.8001
6.6444 6.6444 6.7788 6.7788 6.9675 6.9675 8.2471 8.2471
10.2224 10.2224 10.3677 10.3677
k = 0.0000 0.0000 0.0000 ( 4515 PWs) bands (ev):
-8.5717 -8.5717 -6.8542 -6.8542 -6.4631 -6.4631 -1.6738 -1.6738
1.2262 1.2262 1.7582 1.7582 1.8798 1.8798 2.0276 2.0276
2.9869 2.9869 3.0638 3.0638 3.1436 3.1436 3.4081 3.4081
4.3441 4.3441 4.3926 4.3926 4.4638 4.4638 4.5491 4.5491
4.6315 4.6315 4.7177 4.7177 5.5723 5.5723 5.8001 5.8001
6.6444 6.6444 6.7788 6.7788 6.9675 6.9675 8.2471 8.2471
10.2224 10.2224 10.3677 10.3677
k = 0.0087-0.0152 0.0126 ( 4515 PWs) bands (ev):
-8.5712 -8.5712 -6.8547 -6.8547 -6.4635 -6.4635 -1.6736 -1.6736
1.2198 1.2198 1.7652 1.7653 1.8809 1.8810 2.0290 2.0290
2.9864 2.9865 3.0626 3.0626 3.1438 3.1438 3.4077 3.4077
4.3431 4.3432 4.3929 4.3929 4.4635 4.4635 4.5497 4.5498
4.6314 4.6315 4.7201 4.7202 5.5734 5.5734 5.7961 5.7961
6.6431 6.6431 6.7786 6.7786 6.9650 6.9650 8.2518 8.2518
10.2255 10.2255 10.3705 10.3705
k = 0.0173-0.0304 0.0252 ( 4511 PWs) bands (ev):
-8.5696 -8.5696 -6.8564 -6.8564 -6.4646 -6.4646 -1.6730 -1.6730
1.2016 1.2016 1.7847 1.7849 1.8846 1.8847 2.0333 2.0334
2.9849 2.9849 3.0589 3.0590 3.1443 3.1444 3.4064 3.4064
4.3403 4.3405 4.3935 4.3936 4.4626 4.4628 4.5515 4.5518
4.6310 4.6312 4.7274 4.7275 5.5765 5.5765 5.7844 5.7844
6.6389 6.6389 6.7785 6.7785 6.9573 6.9573 8.2660 8.2661
10.2345 10.2345 10.3786 10.3786
k = 0.0260-0.0456 0.0378 ( 4517 PWs) bands (ev):
-8.5669 -8.5669 -6.8591 -6.8591 -6.4665 -6.4665 -1.6721 -1.6721
1.1741 1.1742 1.8132 1.8135 1.8918 1.8919 2.0407 2.0407
2.9820 2.9821 3.0531 3.0532 3.1453 3.1454 3.4043 3.4043
4.3360 4.3362 4.3944 4.3945 4.4612 4.4614 4.5544 4.5549
4.6307 4.6309 4.7390 4.7392 5.5816 5.5817 5.7657 5.7657
6.6307 6.6308 6.7789 6.7790 6.9448 6.9448 8.2894 8.2894
10.2492 10.2493 10.3919 10.3919
k = 0.0347-0.0608 0.0504 ( 4517 PWs) bands (ev):
-8.5632 -8.5632 -6.8629 -6.8629 -6.4692 -6.4692 -1.6707 -1.6707
1.1403 1.1403 1.8443 1.8447 1.9055 1.9057 2.0513 2.0514
2.9771 2.9772 3.0459 3.0460 3.1468 3.1469 3.4013 3.4013
4.3306 4.3308 4.3954 4.3955 4.4595 4.4597 4.5582 4.5587
4.6308 4.6311 4.7548 4.7551 5.5887 5.5888 5.7409 5.7410
6.6174 6.6175 6.7806 6.7807 6.9279 6.9279 8.3212 8.3212
10.2695 10.2695 10.4103 10.4103
k = 0.0434-0.0760 0.0630 ( 4515 PWs) bands (ev):
-8.5584 -8.5584 -6.8678 -6.8678 -6.4726 -6.4726 -1.6689 -1.6689
1.1025 1.1026 1.8683 1.8686 1.9326 1.9327 2.0656 2.0657
2.9693 2.9695 3.0380 3.0381 3.1488 3.1489 3.3976 3.3976
4.3244 4.3246 4.3964 4.3965 4.4576 4.4578 4.5625 4.5630
4.6316 4.6319 4.7746 4.7748 5.5975 5.5975 5.7114 5.7115
6.5983 6.5984 6.7834 6.7835 6.9072 6.9072 8.3609 8.3609
10.2946 10.2947 10.4332 10.4333
k = 0.0520-0.0912 0.0756 ( 4519 PWs) bands (ev):
-8.5526 -8.5526 -6.8736 -6.8736 -6.4768 -6.4768 -1.6666 -1.6666
1.0627 1.0628 1.8825 1.8827 1.9730 1.9731 2.0839 2.0841
2.9576 2.9577 3.0307 3.0309 3.1513 3.1514 3.3931 3.3932
4.3177 4.3180 4.3972 4.3972 4.4556 4.4558 4.5667 4.5672
4.6333 4.6336 4.7979 4.7982 5.6070 5.6071 5.6792 5.6793
6.5734 6.5735 6.7861 6.7862 6.8839 6.8840 8.4074 8.4074
10.3242 10.3243 10.4604 10.4604
k = 0.0607-0.1064 0.0882 ( 4511 PWs) bands (ev):
-8.5459 -8.5458 -6.8803 -6.8803 -6.4817 -6.4817 -1.6637 -1.6637
1.0221 1.0222 1.8919 1.8921 2.0194 2.0197 2.1069 2.1072
2.9411 2.9412 3.0249 3.0251 3.1543 3.1544 3.3880 3.3881
4.3108 4.3111 4.3977 4.3978 4.4540 4.4542 4.5705 4.5709
4.6363 4.6365 4.8247 4.8250 5.6115 5.6118 5.6509 5.6513
6.5432 6.5433 6.7858 6.7859 6.8608 6.8609 8.4597 8.4597
10.3576 10.3576 10.4911 10.4911
k = 0.0694-0.1216 0.1009 ( 4519 PWs) bands (ev):
-8.5382 -8.5382 -6.8879 -6.8879 -6.4873 -6.4873 -1.6604 -1.6604
0.9818 0.9818 1.8994 1.8995 2.0665 2.0670 2.1358 2.1362
2.9198 2.9200 3.0207 3.0209 3.1578 3.1579 3.3823 3.3823
4.3038 4.3041 4.3979 4.3980 4.4528 4.4529 4.5733 4.5737
4.6406 4.6408 4.8548 4.8551 5.5900 5.5903 5.6489 5.6491
6.5081 6.5082 6.7763 6.7764 6.8438 6.8439 8.5166 8.5166
10.3939 10.3939 10.5245 10.5245
k = 0.0781-0.1368 0.1135 ( 4519 PWs) bands (ev):
-8.5296 -8.5296 -6.8962 -6.8962 -6.4937 -6.4937 -1.6565 -1.6565
0.9423 0.9424 1.9060 1.9060 2.1108 2.1114 2.1721 2.1726
2.8943 2.8944 3.0178 3.0180 3.1617 3.1619 3.3759 3.3760
4.2970 4.2973 4.3978 4.3979 4.4521 4.4523 4.5751 4.5754
4.6463 4.6465 4.8881 4.8883 5.5532 5.5534 5.6631 5.6632
6.4690 6.4691 6.7531 6.7532 6.8375 6.8375 8.5768 8.5768
10.4323 10.4324 10.5589 10.5589
k = 0.0867-0.1520 0.1261 ( 4519 PWs) bands (ev):
-8.5203 -8.5203 -6.9052 -6.9052 -6.5008 -6.5008 -1.6519 -1.6519
0.9042 0.9043 1.9119 1.9119 2.1507 2.1513 2.2159 2.2165
2.8651 2.8652 3.0159 3.0161 3.1661 3.1663 3.3692 3.3693
4.2905 4.2908 4.3974 4.3975 4.4521 4.4524 4.5758 4.5761
4.6532 4.6534 4.9245 4.9246 5.5136 5.5137 5.6815 5.6816
6.4263 6.4264 6.7202 6.7203 6.8376 6.8377 8.6388 8.6388
10.4719 10.4720 10.5865 10.5865
k = 0.0954-0.1672 0.1387 ( 4521 PWs) bands (ev):
-8.5101 -8.5101 -6.9147 -6.9147 -6.5086 -6.5086 -1.6467 -1.6467
0.8680 0.8680 1.9173 1.9173 2.1879 2.1884 2.2647 2.2651
2.8328 2.8330 3.0147 3.0150 3.1709 3.1711 3.3620 3.3621
4.2843 4.2846 4.3968 4.3969 4.4528 4.4530 4.5756 4.5759
4.6611 4.6612 4.9637 4.9638 5.4735 5.4736 5.7024 5.7025
6.3808 6.3809 6.6823 6.6823 6.8397 6.8398 8.7012 8.7012
10.5113 10.5113 10.5908 10.5909
k = 0.1041-0.1824 0.1513 ( 4531 PWs) bands (ev):
-8.4993 -8.4993 -6.9248 -6.9248 -6.5171 -6.5171 -1.6409 -1.6409
0.8338 0.8339 1.9223 1.9223 2.2239 2.2243 2.3153 2.3157
2.7983 2.7985 3.0141 3.0143 3.1760 3.1762 3.3544 3.3545
4.2786 4.2789 4.3960 4.3962 4.4540 4.4542 4.5747 4.5750
4.6696 4.6697 5.0056 5.0057 5.4339 5.4340 5.7254 5.7254
6.3329 6.3330 6.6414 6.6415 6.8418 6.8418 8.7623 8.7623
10.5469 10.5470 10.5909 10.5910
k = 0.1128-0.1976 0.1639 ( 4551 PWs) bands (ev):
-8.4879 -8.4879 -6.9351 -6.9351 -6.5263 -6.5263 -1.6343 -1.6343
0.8020 0.8021 1.9270 1.9270 2.2592 2.2596 2.3661 2.3664
2.7624 2.7625 3.0139 3.0141 3.1814 3.1816 3.3466 3.3467
4.2734 4.2738 4.3952 4.3954 4.4556 4.4558 4.5732 4.5735
4.6784 4.6785 5.0498 5.0499 5.3955 5.3956 5.7501 5.7502
6.2834 6.2835 6.5988 6.5989 6.8430 6.8430 8.8208 8.8208
10.5684 10.5685 10.6076 10.6077
k = 0.1214-0.2128 0.1765 ( 4555 PWs) bands (ev):
-8.4760 -8.4760 -6.9457 -6.9457 -6.5361 -6.5361 -1.6270 -1.6270
0.7727 0.7728 1.9313 1.9314 2.2931 2.2935 2.4160 2.4162
2.7263 2.7265 3.0142 3.0144 3.1872 3.1875 3.3385 3.3386
4.2689 4.2692 4.3946 4.3948 4.4576 4.4578 4.5714 4.5717
4.6874 4.6875 5.0960 5.0960 5.3587 5.3588 5.7766 5.7766
6.2328 6.2329 6.5551 6.5552 6.8428 6.8428 8.8750 8.8750
10.5790 10.5790 10.6393 10.6394
k = 0.1301-0.2280 0.1891 ( 4555 PWs) bands (ev):
-8.4637 -8.4637 -6.9563 -6.9563 -6.5466 -6.5466 -1.6190 -1.6190
0.7462 0.7462 1.9354 1.9355 2.3240 2.3244 2.4644 2.4646
2.6920 2.6923 3.0150 3.0152 3.1934 3.1936 3.3303 3.3304
4.2650 4.2653 4.3941 4.3944 4.4599 4.4601 4.5693 4.5696
4.6964 4.6965 5.1432 5.1433 5.3245 5.3246 5.8046 5.8047
6.1818 6.1819 6.5108 6.5108 6.8410 6.8410 8.9237 8.9237
10.5923 10.5923 10.6723 10.6723
k = 0.1388-0.2432 0.2017 ( 4577 PWs) bands (ev):
-8.4511 -8.4511 -6.9669 -6.9669 -6.5576 -6.5576 -1.6102 -1.6102
0.7224 0.7225 1.9392 1.9393 2.3487 2.3491 2.5107 2.5109
2.6630 2.6633 3.0161 3.0163 3.1996 3.1999 3.3220 3.3221
4.2618 4.2621 4.3939 4.3941 4.4622 4.4625 4.5670 4.5673
4.7051 4.7052 5.1891 5.1893 5.2948 5.2950 5.8341 5.8341
6.1310 6.1311 6.4661 6.4662 6.8374 6.8374 8.9657 8.9657
10.6117 10.6117 10.7015 10.7016
k = 0.1475-0.2584 0.2143 ( 4583 PWs) bands (ev):
-8.4383 -8.4383 -6.9772 -6.9771 -6.5693 -6.5693 -1.6008 -1.6008
0.7016 0.7017 1.9428 1.9428 2.3620 2.3624 2.5546 2.5547
2.6443 2.6446 3.0178 3.0180 3.2062 3.2065 3.3137 3.3138
4.2594 4.2597 4.3939 4.3942 4.4648 4.4650 4.5646 4.5649
4.7133 4.7134 5.2217 5.2221 5.2814 5.2818 5.8650 5.8650
6.0815 6.0816 6.4215 6.4216 6.8319 6.8319 9.0003 9.0004
10.6365 10.6365 10.7047 10.7049
k = 0.1561-0.2736 0.2269 ( 4567 PWs) bands (ev):
-8.4254 -8.4254 -6.9870 -6.9870 -6.5816 -6.5816 -1.5906 -1.5906
0.6839 0.6839 1.9460 1.9460 2.3592 2.3596 2.5952 2.5953
2.6414 2.6418 3.0201 3.0203 3.2130 3.2132 3.3054 3.3055
4.2578 4.2581 4.3943 4.3946 4.4674 4.4677 4.5622 4.5625
4.7209 4.7209 5.2151 5.2155 5.3098 5.3101 5.8971 5.8971
6.0344 6.0345 6.3774 6.3775 6.8244 6.8244 9.0271 9.0271
10.6368 10.6369 10.6792 10.6793
k = 0.1648-0.2888 0.2395 ( 4575 PWs) bands (ev):
-8.4126 -8.4126 -6.9964 -6.9963 -6.5943 -6.5943 -1.5798 -1.5798
0.6692 0.6692 1.9489 1.9489 2.3391 2.3395 2.6313 2.6315
2.6564 2.6566 3.0229 3.0232 3.2197 3.2200 3.2972 3.2973
4.2569 4.2573 4.3950 4.3952 4.4700 4.4703 4.5598 4.5601
4.7271 4.7272 5.1946 5.1948 5.3533 5.3536 5.9303 5.9303
5.9912 5.9913 6.3338 6.3339 6.8149 6.8149 9.0459 9.0459
10.5661 10.5661 10.7109 10.7110
k = 0.1735-0.3040 0.2521 ( 4575 PWs) bands (ev):
-8.4000 -8.4000 -7.0049 -7.0049 -6.6076 -6.6076 -1.5684 -1.5684
0.6577 0.6577 1.9514 1.9515 2.3060 2.3063 2.6629 2.6634
2.6846 2.6848 3.0265 3.0267 3.2266 3.2268 3.2893 3.2894
4.2568 4.2572 4.3959 4.3961 4.4726 4.4729 4.5575 4.5578
4.7319 4.7319 5.1747 5.1749 5.3956 5.3957 5.9530 5.9530
5.9657 5.9657 6.2912 6.2913 6.8033 6.8033 9.0569 9.0569
10.4821 10.4821 10.7469 10.7470
k = 0.1822-0.3192 0.2647 ( 4571 PWs) bands (ev):
-8.3877 -8.3877 -7.0125 -7.0125 -6.6214 -6.6214 -1.5565 -1.5565
0.6493 0.6494 1.9535 1.9535 2.2647 2.2649 2.6939 2.6945
2.7173 2.7176 3.0308 3.0310 3.2333 3.2336 3.2816 3.2817
4.2575 4.2579 4.3970 4.3973 4.4751 4.4754 4.5552 4.5555
4.7346 4.7347 5.1583 5.1585 5.4311 5.4312 5.9260 5.9261
6.0001 6.0001 6.2497 6.2498 6.7896 6.7896 9.0607 9.0607
10.3922 10.3922 10.7746 10.7747
k = 0.1908-0.3344 0.2774 ( 4571 PWs) bands (ev):
-8.3759 -8.3759 -7.0191 -7.0191 -6.6355 -6.6355 -1.5441 -1.5441
0.6442 0.6443 1.9551 1.9551 2.2188 2.2190 2.7242 2.7250
2.7508 2.7513 3.0359 3.0361 3.2397 3.2400 3.2744 3.2745
4.2589 4.2593 4.3984 4.3987 4.4776 4.4779 4.5529 4.5532
4.7350 4.7351 5.1464 5.1466 5.4552 5.4553 5.9116 5.9117
6.0360 6.0360 6.2095 6.2096 6.7737 6.7737 9.0578 9.0578
10.2992 10.2992 10.7862 10.7863
k = 0.1995-0.3496 0.2900 ( 4565 PWs) bands (ev):
-8.3647 -8.3647 -7.0244 -7.0244 -6.6501 -6.6501 -1.5313 -1.5313
0.6423 0.6424 1.9559 1.9559 2.1706 2.1708 2.7520 2.7528
2.7849 2.7855 3.0419 3.0421 3.2452 3.2454 3.2684 3.2685
4.2610 4.2614 4.4000 4.4002 4.4800 4.4803 4.5507 4.5510
4.7326 4.7327 5.1398 5.1399 5.4644 5.4645 5.9136 5.9137
6.0725 6.0725 6.1710 6.1711 6.7558 6.7558 9.0487 9.0488
10.2047 10.2047 10.7873 10.7873
k = 0.2082-0.3648 0.3026 ( 4569 PWs) bands (ev):
-8.3543 -8.3543 -7.0282 -7.0282 -6.6650 -6.6650 -1.5183 -1.5182
0.6436 0.6437 1.9555 1.9555 2.1218 2.1220 2.7761 2.7769
2.8193 2.8199 3.0486 3.0488 3.2477 3.2478 3.2655 3.2656
4.2637 4.2641 4.4015 4.4018 4.4822 4.4825 4.5485 4.5488
4.7272 4.7273 5.1387 5.1389 5.4581 5.4582 5.9321 5.9322
6.1080 6.1080 6.1359 6.1360 6.7357 6.7357 9.0343 9.0343
10.1101 10.1102 10.7819 10.7819
k = 0.2169-0.3800 0.3152 ( 4569 PWs) bands (ev):
-8.3447 -8.3447 -7.0305 -7.0305 -6.6802 -6.6802 -1.5050 -1.5050
0.6482 0.6482 1.9530 1.9530 2.0744 2.0746 2.7965 2.7972
2.8533 2.8539 3.0560 3.0562 3.2452 3.2453 3.2676 3.2679
4.2669 4.2673 4.4031 4.4034 4.4844 4.4847 4.5462 4.5466
4.7190 4.7191 5.1434 5.1435 5.4392 5.4393 5.9635 5.9637
6.0973 6.0975 6.1496 6.1496 6.7136 6.7136 9.0151 9.0151
10.0168 10.0168 10.7714 10.7715
k = 0.2255-0.3952 0.3278 ( 4563 PWs) bands (ev):
-8.3362 -8.3362 -7.0311 -7.0311 -6.6957 -6.6957 -1.4917 -1.4917
0.6560 0.6560 1.9456 1.9457 2.0317 2.0319 2.8133 2.8140
2.8861 2.8866 3.0640 3.0641 3.2400 3.2402 3.2727 3.2729
4.2706 4.2711 4.4046 4.4049 4.4864 4.4867 4.5439 4.5442
4.7084 4.7085 5.1537 5.1538 5.4116 5.4117 6.0015 6.0017
6.0677 6.0679 6.1870 6.1870 6.6894 6.6894 8.9917 8.9917
9.9257 9.9257 10.7568 10.7568
k = 0.2342-0.4104 0.3404 ( 4561 PWs) bands (ev):
-8.3288 -8.3288 -7.0298 -7.0298 -6.7114 -6.7114 -1.4785 -1.4785
0.6669 0.6669 1.9267 1.9267 2.0009 2.0011 2.8271 2.8277
2.9170 2.9175 3.0722 3.0723 3.2341 3.2343 3.2785 3.2787
4.2747 4.2752 4.4059 4.4061 4.4881 4.4884 4.5413 4.5417
4.6960 4.6961 5.1691 5.1692 5.3792 5.3793 6.0188 6.0191
6.0651 6.0654 6.2252 6.2252 6.6633 6.6633 8.9647 8.9647
9.8379 9.8379 10.7385 10.7385
k = 0.2429-0.4256 0.3530 ( 4545 PWs) bands (ev):
-8.3225 -8.3225 -7.0267 -7.0267 -6.7272 -6.7272 -1.4656 -1.4655
0.6810 0.6810 1.8928 1.8928 1.9859 1.9860 2.8381 2.8386
2.9456 2.9461 3.0803 3.0804 3.2283 3.2285 3.2844 3.2847
4.2791 4.2795 4.4068 4.4071 4.4897 4.4899 4.5386 4.5390
4.6824 4.6825 5.1890 5.1891 5.3446 5.3446 5.9964 5.9965
6.1062 6.1063 6.2637 6.2637 6.6352 6.6352 8.9347 8.9347
9.7544 9.7544 10.7172 10.7172
k = 0.2516-0.4408 0.3656 ( 4541 PWs) bands (ev):
-8.3175 -8.3175 -7.0216 -7.0216 -6.7432 -6.7432 -1.4529 -1.4529
0.6981 0.6982 1.8515 1.8515 1.9794 1.9794 2.8466 2.8471
2.9716 2.9721 3.0882 3.0883 3.2225 3.2227 3.2903 3.2905
4.2836 4.2840 4.4073 4.4075 4.4908 4.4910 4.5356 4.5360
4.6685 4.6685 5.2119 5.2120 5.3104 5.3105 5.9704 5.9705
6.1525 6.1526 6.3021 6.3022 6.6054 6.6054 8.9023 8.9023
9.6762 9.6762 10.6932 10.6932
k = 0.2602-0.4560 0.3782 ( 4539 PWs) bands (ev):
-8.3138 -8.3138 -7.0146 -7.0146 -6.7592 -6.7592 -1.4408 -1.4408
0.7183 0.7183 1.8087 1.8087 1.9758 1.9759 2.8530 2.8535
2.9947 2.9952 3.0955 3.0956 3.2171 3.2172 3.2960 3.2962
4.2881 4.2885 4.4070 4.4072 4.4913 4.4916 4.5323 4.5327
4.6550 4.6551 5.2317 5.2318 5.2834 5.2835 5.9457 5.9457
6.1973 6.1973 6.3404 6.3404 6.5738 6.5738 8.8681 8.8681
9.6044 9.6044 10.6672 10.6672
k = 0.2689-0.4712 0.3908 ( 4545 PWs) bands (ev):
-8.3114 -8.3114 -7.0056 -7.0056 -6.7752 -6.7752 -1.4294 -1.4294
0.7415 0.7415 1.7666 1.7667 1.9733 1.9733 2.8575 2.8580
3.0148 3.0153 3.1019 3.1022 3.2118 3.2120 3.3014 3.3016
4.2924 4.2928 4.4057 4.4059 4.4911 4.4913 4.5290 4.5293
4.6426 4.6427 5.2229 5.2230 5.2894 5.2895 5.9231 5.9231
6.2385 6.2385 6.3783 6.3783 6.5406 6.5406 8.8327 8.8327
9.5399 9.5399 10.6394 10.6394
k = 0.2776-0.4864 0.4034 ( 4539 PWs) bands (ev):
-8.3102 -8.3102 -6.9947 -6.9947 -6.7912 -6.7912 -1.4188 -1.4188
0.7675 0.7676 1.7263 1.7264 1.9711 1.9711 2.8604 2.8608
3.0317 3.0323 3.1075 3.1078 3.2069 3.2071 3.3066 3.3068
4.2963 4.2968 4.4035 4.4036 4.4897 4.4900 4.5258 4.5261
4.6320 4.6321 5.1944 5.1945 5.3196 5.3196 5.9027 5.9027
6.2747 6.2747 6.4155 6.4156 6.5062 6.5062 8.7968 8.7968
9.4838 9.4838 10.6104 10.6104
k = 0.2863-0.5016 0.4160 ( 4543 PWs) bands (ev):
-8.3103 -8.3103 -6.9820 -6.9820 -6.8071 -6.8071 -1.4092 -1.4091
0.7964 0.7964 1.6883 1.6884 1.9689 1.9689 2.8616 2.8621
3.0454 3.0460 3.1119 3.1123 3.2023 3.2025 3.3116 3.3118
4.2996 4.3001 4.4000 4.4001 4.4871 4.4875 4.5232 4.5235
4.6235 4.6237 5.1642 5.1644 5.3555 5.3555 5.8847 5.8847
6.3045 6.3045 6.4512 6.4512 6.4717 6.4717 8.7609 8.7609
9.4370 9.4371 10.5804 10.5805
k = 0.2949-0.5168 0.4286 ( 4545 PWs) bands (ev):
-8.3115 -8.3115 -6.9675 -6.9675 -6.8228 -6.8228 -1.4006 -1.4006
0.8280 0.8281 1.6530 1.6530 1.9666 1.9666 2.8614 2.8619
3.0558 3.0565 3.1152 3.1157 3.1979 3.1981 3.3164 3.3166
4.3019 4.3023 4.3954 4.3956 4.4835 4.4839 4.5214 4.5217
4.6172 4.6175 5.1355 5.1357 5.3939 5.3939 5.8690 5.8690
6.3261 6.3261 6.4351 6.4351 6.4880 6.4881 8.7257 8.7257
9.4004 9.4005 10.5499 10.5499
k = 0.3036-0.5320 0.4412 ( 4547 PWs) bands (ev):
-8.3139 -8.3139 -6.9514 -6.9514 -6.8384 -6.8383 -1.3932 -1.3932
0.8623 0.8623 1.6205 1.6206 1.9641 1.9642 2.8597 2.8601
3.0631 3.0638 3.1175 3.1179 3.1939 3.1940 3.3209 3.3211
4.3026 4.3030 4.3901 4.3903 4.4793 4.4798 4.5202 4.5205
4.6131 4.6134 5.1090 5.1091 5.4336 5.4336 5.8557 5.8557
6.3360 6.3360 6.4035 6.4035 6.5221 6.5221 8.6916 8.6916
9.3748 9.3748 10.5191 10.5191
k = 0.3036-0.5320 0.4412 ( 4547 PWs) bands (ev):
-8.3139 -8.3139 -6.9514 -6.9514 -6.8384 -6.8383 -1.3932 -1.3932
0.8623 0.8623 1.6205 1.6206 1.9641 1.9642 2.8597 2.8601
3.0631 3.0638 3.1175 3.1179 3.1939 3.1940 3.3209 3.3211
4.3026 4.3030 4.3901 4.3903 4.4793 4.4798 4.5202 4.5205
4.6131 4.6134 5.1090 5.1091 5.4336 5.4336 5.8557 5.8557
6.3360 6.3360 6.4035 6.4035 6.5221 6.5221 8.6916 8.6916
9.3748 9.3748 10.5191 10.5191
k = 0.3167-0.5162 0.4360 ( 4552 PWs) bands (ev):
-8.3129 -8.3129 -6.9590 -6.9588 -6.8310 -6.8308 -1.3967 -1.3967
0.8475 0.8476 1.6355 1.6357 1.9649 1.9655 2.8580 2.8600
3.0577 3.0639 3.1125 3.1212 3.1954 3.1960 3.3184 3.3197
4.2991 4.3047 4.3852 4.4002 4.4779 4.4843 4.5207 4.5214
4.6139 4.6163 5.1139 5.1242 5.4166 5.4192 5.8605 5.8618
6.3133 6.3283 6.4198 6.4361 6.5076 6.5085 8.7076 8.7094
9.3851 9.3854 10.5322 10.5325
k = 0.3298-0.5005 0.4309 ( 4556 PWs) bands (ev):
-8.3124 -8.3124 -6.9674 -6.9671 -6.8220 -6.8216 -1.4016 -1.4015
0.8327 0.8330 1.6546 1.6550 1.9657 1.9668 2.8519 2.8563
3.0525 3.0627 3.1083 3.1238 3.1969 3.1982 3.3155 3.3182
4.2938 4.3047 4.3819 4.4091 4.4766 4.4877 4.5218 4.5230
4.6153 4.6207 5.1183 5.1380 5.4015 5.4064 5.8661 5.8688
6.2848 6.3020 6.4504 6.4681 6.4961 6.4963 8.7298 8.7333
9.3997 9.4000 10.5461 10.5467
k = 0.3429-0.4847 0.4257 ( 4559 PWs) bands (ev):
-8.3122 -8.3122 -6.9761 -6.9758 -6.8119 -6.8115 -1.4076 -1.4074
0.8186 0.8191 1.6771 1.6778 1.9665 1.9682 2.8420 2.8487
3.0477 3.0603 3.1053 3.1256 3.1986 3.2007 3.3125 3.3164
4.2877 4.3024 4.3805 4.4163 4.4757 4.4899 4.5236 4.5251
4.6178 4.6263 5.1219 5.1497 5.3886 5.3954 5.8728 5.8766
6.2553 6.2720 6.4647 6.4678 6.5009 6.5153 8.7580 8.7630
9.4178 9.4179 10.5606 10.5613
k = 0.3560-0.4689 0.4205 ( 4559 PWs) bands (ev):
-8.3123 -8.3123 -6.9847 -6.9843 -6.8013 -6.8008 -1.4145 -1.4143
0.8055 0.8062 1.7023 1.7031 1.9673 1.9696 2.8286 2.8373
3.0433 3.0568 3.1037 3.1269 3.2005 3.2033 3.3093 3.3143
4.2812 4.2979 4.3810 4.4213 4.4753 4.4909 4.5261 4.5276
4.6212 4.6329 5.1246 5.1589 5.3784 5.3865 5.8803 5.8853
6.2260 6.2416 6.4514 6.4526 6.5301 6.5476 8.7917 8.7978
9.4383 9.4387 10.5752 10.5760
k = 0.3691-0.4531 0.4153 ( 4558 PWs) bands (ev):
-8.3126 -8.3126 -6.9930 -6.9926 -6.7905 -6.7900 -1.4222 -1.4219
0.7937 0.7945 1.7294 1.7302 1.9680 1.9710 2.8123 2.8226
3.0395 3.0526 3.1033 3.1277 3.2025 3.2059 3.3061 3.3120
4.2746 4.2919 4.3829 4.4244 4.4752 4.4909 4.5289 4.5301
4.6254 4.6400 5.1263 5.1652 5.3711 5.3798 5.8887 5.8946
6.1975 6.2116 6.4331 6.4357 6.5615 6.5788 8.8302 8.8372
9.4606 9.4616 10.5896 10.5903
k = 0.3822-0.4374 0.4101 ( 4558 PWs) bands (ev):
-8.3132 -8.3131 -7.0007 -7.0003 -6.7800 -6.7795 -1.4302 -1.4300
0.7833 0.7843 1.7577 1.7584 1.9688 1.9726 2.7936 2.8051
3.0359 3.0479 3.1038 3.1281 3.2047 3.2087 3.3029 3.3095
4.2681 4.2850 4.3857 4.4258 4.4754 4.4901 4.5317 4.5326
4.6302 4.6475 5.1270 5.1682 5.3670 5.3753 5.8978 5.9045
6.1701 6.1828 6.4143 6.4178 6.5914 6.6078 8.8727 8.8803
9.4840 9.4858 10.6034 10.6041
k = 0.3953-0.4216 0.4049 ( 4554 PWs) bands (ev):
-8.3138 -8.3137 -7.0078 -7.0075 -6.7698 -6.7694 -1.4384 -1.4382
0.7744 0.7754 1.7866 1.7869 1.9695 1.9742 2.7732 2.7854
3.0327 3.0432 3.1051 3.1281 3.2070 3.2114 3.2997 3.3068
4.2619 4.2776 4.3892 4.4261 4.4759 4.4890 4.5343 4.5349
4.6356 4.6547 5.1267 5.1682 5.3657 5.3729 5.9076 5.9148
6.1443 6.1555 6.3956 6.3996 6.6191 6.6341 8.9181 8.9260
9.5081 9.5108 10.6164 10.6170
k = 0.4083-0.4058 0.3997 ( 4552 PWs) bands (ev):
-8.3144 -8.3144 -7.0143 -7.0139 -6.7604 -6.7600 -1.4465 -1.4462
0.7669 0.7680 1.8150 1.8152 1.9703 1.9760 2.7519 2.7643
3.0298 3.0386 3.1068 3.1280 3.2094 3.2140 3.2967 3.3041
4.2562 4.2702 4.3928 4.4257 4.4763 4.4875 4.5367 4.5369
4.6414 4.6615 5.1258 5.1656 5.3668 5.3725 5.9177 5.9252
6.1203 6.1301 6.3772 6.3815 6.6441 6.6576 8.9651 8.9728
9.5322 9.5359 10.6283 10.6289
k = 0.4214-0.3900 0.3945 ( 4554 PWs) bands (ev):
-8.3151 -8.3151 -7.0199 -7.0196 -6.7519 -6.7515 -1.4541 -1.4539
0.7608 0.7619 1.8417 1.8428 1.9713 1.9779 2.7306 2.7426
3.0271 3.0343 3.1088 3.1276 3.2117 3.2165 3.2939 3.3012
4.2510 4.2632 4.3964 4.4247 4.4767 4.4860 4.5385 4.5387
4.6473 4.6674 5.1245 5.1610 5.3696 5.3735 5.9279 5.9356
6.0986 6.1070 6.3597 6.3642 6.6663 6.6781 9.0120 9.0192
9.5561 9.5607 10.6389 10.6395
k = 0.4345-0.3743 0.3893 ( 4555 PWs) bands (ev):
-8.3158 -8.3158 -7.0247 -7.0245 -6.7443 -6.7440 -1.4611 -1.4608
0.7559 0.7569 1.8661 1.8684 1.9725 1.9801 2.7102 2.7213
3.0247 3.0304 3.1109 3.1270 3.2141 3.2187 3.2916 3.2985
4.2466 4.2568 4.4000 4.4234 4.4770 4.4844 4.5400 4.5403
4.6533 4.6722 5.1231 5.1552 5.3733 5.3757 5.9380 5.9454
6.0795 6.0865 6.3435 6.3479 6.6855 6.6955 9.0568 9.0633
9.5792 9.5845 10.6480 10.6487
k = 0.4476-0.3585 0.3841 ( 4557 PWs) bands (ev):
-8.3164 -8.3164 -7.0287 -7.0285 -6.7380 -6.7377 -1.4671 -1.4669
0.7522 0.7531 1.8874 1.8908 1.9741 1.9825 2.6917 2.7015
3.0227 3.0270 3.1131 3.1262 3.2163 3.2206 3.2896 3.2958
4.2430 4.2512 4.4034 4.4219 4.4773 4.4830 4.5412 4.5416
4.6591 4.6758 5.1221 5.1488 5.3772 5.3783 5.9475 5.9543
6.0633 6.0691 6.3293 6.3333 6.7016 6.7097 9.0975 9.1029
9.6010 9.6066 10.6556 10.6562
k = 0.4607-0.3427 0.3789 ( 4559 PWs) bands (ev):
-8.3169 -8.3169 -7.0319 -7.0317 -6.7329 -6.7327 -1.4720 -1.4719
0.7495 0.7502 1.9046 1.9087 1.9766 1.9849 2.6762 2.6841
3.0211 3.0242 3.1153 3.1252 3.2184 3.2219 3.2883 3.2933
4.2403 4.2464 4.4065 4.4202 4.4775 4.4817 4.5421 4.5425
4.6645 4.6780 5.1218 5.1424 5.3807 5.3811 5.9559 5.9617
6.0505 6.0550 6.3175 6.3209 6.7144 6.7205 9.1320 9.1361
9.6207 9.6258 10.6614 10.6621
k = 0.4738-0.3269 0.3737 ( 4555 PWs) bands (ev):
-8.3172 -8.3172 -7.0341 -7.0340 -6.7292 -6.7290 -1.4756 -1.4755
0.7477 0.7482 1.9173 1.9211 1.9800 1.9868 2.6647 2.6702
3.0201 3.0221 3.1173 3.1240 3.2201 3.2227 3.2875 3.2911
4.2387 4.2427 4.4095 4.4185 4.4779 4.4806 4.5428 4.5431
4.6693 4.6788 5.1225 5.1365 5.3835 5.3835 5.9628 5.9670
6.0413 6.0445 6.3087 6.3112 6.7239 6.7280 9.1582 9.1610
9.6369 9.6409 10.6656 10.6661
k = 0.4869-0.3112 0.3685 ( 4556 PWs) bands (ev):
-8.3175 -8.3175 -7.0354 -7.0354 -6.7269 -6.7268 -1.4778 -1.4778
0.7467 0.7470 1.9253 1.9276 1.9837 1.9876 2.6580 2.6609
3.0196 3.0206 3.1193 3.1226 3.2216 3.2229 3.2875 3.2893
4.2380 4.2400 4.4120 4.4165 4.4783 4.4796 4.5433 4.5434
4.6733 4.6782 5.1243 5.1314 5.3852 5.3852 5.9676 5.9699
6.0361 6.0378 6.3036 6.3049 6.7301 6.7321 9.1749 9.1762
9.6480 9.6502 10.6681 10.6684
k = 0.5000-0.2954 0.3633 ( 4558 PWs) bands (ev):
-8.3175 -8.3175 -7.0359 -7.0359 -6.7261 -6.7261 -1.4786 -1.4786
0.7465 0.7465 1.9288 1.9288 1.9865 1.9865 2.6567 2.6567
3.0197 3.0197 3.1210 3.1210 3.2225 3.2225 3.2881 3.2881
4.2385 4.2385 4.4144 4.4144 4.4789 4.4789 4.5435 4.5435
4.6763 4.6763 5.1273 5.1273 5.3858 5.3858 5.9701 5.9701
6.0349 6.0349 6.3023 6.3023 6.7328 6.7328 9.1810 9.1810
9.6527 9.6527 10.6690 10.6690
k = 0.5000-0.2954 0.3633 ( 4558 PWs) bands (ev):
-8.3175 -8.3175 -7.0359 -7.0359 -6.7261 -6.7261 -1.4786 -1.4786
0.7465 0.7465 1.9288 1.9288 1.9865 1.9865 2.6567 2.6567
3.0197 3.0197 3.1210 3.1210 3.2225 3.2225 3.2881 3.2881
4.2385 4.2385 4.4144 4.4144 4.4789 4.4789 4.5435 4.5435
4.6763 4.6763 5.1273 5.1273 5.3858 5.3858 5.9701 5.9701
6.0349 6.0349 6.3023 6.3023 6.7328 6.7328 9.1810 9.1810
9.6527 9.6527 10.6690 10.6690
k = 0.4938-0.2845 0.3808 ( 4556 PWs) bands (ev):
-8.3167 -8.3165 -7.0357 -7.0355 -6.7258 -6.7257 -1.4811 -1.4787
0.7455 0.7485 1.8849 1.9404 1.9700 2.0234 2.6538 2.6595
3.0156 3.0232 3.1195 3.1220 3.2212 3.2222 3.2845 3.2904
4.2359 4.2433 4.4092 4.4201 4.4756 4.4817 4.5405 4.5456
4.6712 4.6858 5.1262 5.1291 5.3842 5.3887 5.9631 5.9655
6.0346 6.0435 6.2945 6.2961 6.7382 6.7411 9.1794 9.1852
9.6545 9.6559 10.6546 10.6644
k = 0.4875-0.2735 0.3983 ( 4558 PWs) bands (ev):
-8.3139 -8.3136 -7.0348 -7.0344 -6.7248 -6.7244 -1.4863 -1.4815
0.7454 0.7515 1.8343 1.8929 2.0008 2.0554 2.6509 2.6621
3.0110 3.0259 3.1172 3.1222 3.2181 3.2202 3.2796 3.2912
4.2356 4.2499 4.4043 4.4262 4.4719 4.4840 4.5374 4.5463
4.6709 4.6988 5.1255 5.1314 5.3846 5.3931 5.9485 5.9509
6.0409 6.0559 6.2738 6.2771 6.7563 6.7623 9.1804 9.1916
9.6615 9.6640 10.6289 10.6433
k = 0.4813-0.2625 0.4159 ( 4560 PWs) bands (ev):
-8.3092 -8.3089 -7.0334 -7.0328 -6.7230 -6.7225 -1.4942 -1.4870
0.7463 0.7554 1.7778 1.8388 2.0276 2.0827 2.6478 2.6640
3.0059 3.0276 3.1142 3.1219 3.2135 3.2168 3.2736 3.2906
4.2375 4.2576 4.3996 4.4328 4.4679 4.4857 4.5348 4.5454
4.6751 4.7143 5.1245 5.1335 5.3876 5.3992 5.9291 5.9316
6.0496 6.0689 6.2428 6.2475 6.7855 6.7950 9.1834 9.1996
9.6739 9.6771 10.5983 10.6141
k = 0.4750-0.2516 0.4334 ( 4552 PWs) bands (ev):
-8.3027 -8.3022 -7.0314 -7.0306 -6.7205 -6.7198 -1.5049 -1.4954
0.7479 0.7602 1.7164 1.7798 2.0500 2.1060 2.6441 2.6647
3.0002 3.0281 3.1105 3.1211 3.2073 3.2121 3.2669 3.2886
4.2411 4.2658 4.3950 4.4397 4.4640 4.4869 4.5329 4.5434
4.6831 4.7314 5.1219 5.1344 5.3940 5.4075 5.9062 5.9101
6.0582 6.0809 6.2044 6.2102 6.8240 6.8376 9.1874 9.2079
9.6921 9.6950 10.5650 10.5816
k = 0.4688-0.2406 0.4509 ( 4554 PWs) bands (ev):
-8.2943 -8.2937 -7.0287 -7.0277 -6.7173 -6.7164 -1.5185 -1.5067
0.7503 0.7658 1.6510 1.7172 2.0684 2.1261 2.6393 2.6639
2.9940 3.0269 3.1060 3.1196 3.2000 3.2064 3.2594 3.2854
4.2460 4.2739 4.3904 4.4466 4.4602 4.4875 4.5317 4.5407
4.6935 4.7491 5.1168 5.1329 5.4042 5.4184 5.8812 5.8870
6.0653 6.0907 6.1617 6.1680 6.8709 6.8892 9.1914 9.2156
9.7162 9.7179 10.5298 10.5477
k = 0.4625-0.2297 0.4684 ( 4556 PWs) bands (ev):
-8.2841 -8.2834 -7.0256 -7.0244 -6.7133 -6.7123 -1.5351 -1.5211
0.7532 0.7721 1.5831 1.6521 2.0836 2.1436 2.6329 2.6614
2.9869 3.0237 3.1009 3.1174 3.1918 3.2001 3.2514 3.2811
4.2517 4.2814 4.3857 4.4531 4.4568 4.4875 4.5313 4.5382
4.7054 4.7666 5.1083 5.1282 5.4177 5.4320 5.8549 5.8621
6.0685 6.0929 6.1208 6.1269 6.9258 6.9494 9.1943 9.2218
9.7452 9.7461 10.4934 10.5131
k = 0.4562-0.2187 0.4859 ( 4562 PWs) bands (ev):
-8.2721 -8.2713 -7.0219 -7.0205 -6.7087 -6.7075 -1.5550 -1.5388
0.7564 0.7788 1.5140 1.5860 2.0960 2.1589 2.6246 2.6571
2.9788 3.0182 3.0951 3.1146 3.1832 3.1934 3.2430 3.2759
4.2576 4.2880 4.3808 4.4535 4.4589 4.4871 4.5314 4.5365
4.7178 4.7834 5.0962 5.1196 5.4331 5.4473 5.8276 5.8357
6.0486 6.0701 6.0905 6.1184 6.9884 7.0182 9.1953 9.2261
9.7770 9.7810 10.4562 10.4783
k = 0.4500-0.2078 0.5034 ( 4564 PWs) bands (ev):
-8.2582 -8.2573 -7.0177 -7.0161 -6.7034 -6.7020 -1.5782 -1.5599
0.7596 0.7858 1.4455 1.5202 2.1059 2.1725 2.6141 2.6511
2.9694 3.0100 3.0888 3.1110 3.1747 3.1866 3.2344 3.2698
4.2635 4.2938 4.3759 4.4509 4.4633 4.4864 4.5313 4.5364
4.7301 4.7991 5.0811 5.1073 5.4481 5.4623 5.7995 5.8074
6.0049 6.0279 6.0898 6.1233 7.0589 7.0954 9.1939 9.2284
9.8122 9.8203 10.4189 10.4438
k = 0.4437-0.1968 0.5209 ( 4564 PWs) bands (ev):
-8.2426 -8.2416 -7.0130 -7.0113 -6.6975 -6.6959 -1.6050 -1.5848
0.7626 0.7925 1.3789 1.4561 2.1135 2.1845 2.6016 2.6435
2.9584 2.9988 3.0821 3.1066 3.1669 3.1799 3.2255 3.2630
4.2689 4.2988 4.3708 4.4488 4.4659 4.4855 4.5312 4.5380
4.7420 4.8133 5.0637 5.0915 5.4601 5.4746 5.7706 5.7772
5.9601 5.9872 6.0926 6.1288 7.1368 7.1808 9.1901 9.2291
9.8501 9.8630 10.3823 10.4097
k = 0.4375-0.1859 0.5384 ( 4564 PWs) bands (ev):
-8.2253 -8.2242 -7.0080 -7.0060 -6.6910 -6.6892 -1.6354 -1.6134
0.7649 0.7985 1.3160 1.3952 2.1188 2.1947 2.5871 2.6348
2.9454 2.9847 3.0748 3.1015 3.1601 3.1735 3.2165 3.2557
4.2735 4.3031 4.3656 4.4471 4.4667 4.4846 4.5314 4.5406
4.7534 4.8259 5.0450 5.0731 5.4663 5.4808 5.7408 5.7451
5.9196 5.9521 6.0954 6.1338 7.2214 7.2737 9.1845 9.2291
9.8895 9.9078 10.3469 10.3764
k = 0.4313-0.1749 0.5559 ( 4576 PWs) bands (ev):
-8.2064 -8.2051 -7.0026 -7.0005 -6.6839 -6.6820 -1.6695 -1.6460
0.7661 0.8032 1.2583 1.3388 2.1218 2.2030 2.5711 2.6252
2.9303 2.9678 3.0667 3.0960 3.1544 3.1675 3.2074 3.2478
4.2771 4.3070 4.3604 4.4457 4.4660 4.4838 4.5319 4.5438
4.7641 4.8366 5.0261 5.0527 5.4643 5.4782 5.7085 5.7129
5.8861 5.9244 6.0977 6.1381 7.3117 7.3728 9.1780 9.2294
9.9294 9.9539 10.3132 10.3443
k = 0.4250-0.1640 0.5734 ( 4586 PWs) bands (ev):
-8.1857 -8.1844 -6.9969 -6.9946 -6.6763 -6.6742 -1.7076 -1.6826
0.7655 0.8057 1.2075 1.2881 2.1223 2.2090 2.5544 2.6150
2.9130 2.9483 3.0577 3.0900 3.1499 3.1621 3.1982 3.2395
4.2793 4.3108 4.3553 4.4445 4.4642 4.4831 4.5326 4.5472
4.7743 4.8449 5.0083 5.0312 5.4524 5.4652 5.6736 5.6819
5.8609 5.9043 6.0996 6.1419 7.4058 7.4762 9.1723 9.2315
9.9685 10.0000 10.2821 10.3136
k = 0.4188-0.1530 0.5909 ( 4588 PWs) bands (ev):
-8.1635 -8.1622 -6.9909 -6.9885 -6.6682 -6.6659 -1.7495 -1.7234
0.7626 0.8050 1.1653 1.2441 2.1202 2.2120 2.5377 2.6048
2.8934 2.9265 3.0479 3.0837 3.1462 3.1575 3.1891 3.2309
4.2801 4.3146 4.3505 4.4433 4.4622 4.4823 4.5333 4.5507
4.7841 4.8501 4.9931 5.0093 5.4301 5.4422 5.6381 5.6511
5.8437 5.8908 6.1013 6.1452 7.5014 7.5814 9.1695 9.2374
10.0050 10.0455 10.2544 10.2851
k = 0.4125-0.1421 0.6084 ( 4588 PWs) bands (ev):
-8.1398 -8.1384 -6.9848 -6.9822 -6.6596 -6.6572 -1.7951 -1.7681
0.7571 0.8005 1.1328 1.2075 2.1152 2.2115 2.5219 2.5948
2.8718 2.9031 3.0373 3.0769 3.1430 3.1539 3.1803 3.2219
4.2794 4.3184 4.3460 4.4419 4.4603 4.4814 4.5338 4.5538
4.7934 4.8509 4.9818 4.9884 5.3983 5.4114 5.6032 5.6205
5.8324 5.8821 6.1027 6.1482 7.5956 7.6852 9.1721 9.2490
10.0363 10.0892 10.2313 10.2607
k = 0.4062-0.1311 0.6259 ( 4584 PWs) bands (ev):
-8.1146 -8.1131 -6.9786 -6.9759 -6.6507 -6.6482 -1.8445 -1.8168
0.7488 0.7922 1.1104 1.1786 2.1075 2.2068 2.5078 2.5852
2.8488 2.8785 3.0258 3.0690 3.1400 3.1512 3.1721 3.2126
4.2774 4.3219 4.3421 4.4399 4.4592 4.4805 4.5341 4.5565
4.8021 4.8466 4.9669 4.9778 5.3595 5.3753 5.5690 5.5899
5.8247 5.8762 6.1041 6.1509 7.6850 7.7835 9.1830 9.2688
10.0577 10.1286 10.2139 10.2461
k = 0.4000-0.1202 0.6434 ( 4572 PWs) bands (ev):
-8.0881 -8.0865 -6.9723 -6.9695 -6.6414 -6.6387 -1.8972 -1.8692
0.7379 0.7807 1.0974 1.1573 2.0969 2.1976 2.4956 2.5759
2.8249 2.8534 3.0135 3.0599 3.1372 3.1487 3.1653 3.2031
4.2744 4.3242 4.3396 4.4373 4.4588 4.4796 4.5340 4.5586
4.8098 4.8376 4.9493 4.9778 5.3163 5.3359 5.5352 5.5596
5.8184 5.8714 6.1054 6.1532 7.7664 7.8722 9.2054 9.2989
10.0644 10.1523 10.2096 10.2507
k = 0.3937-0.1092 0.6609 ( 4580 PWs) bands (ev):
-8.0602 -8.0586 -6.9662 -6.9632 -6.6318 -6.6290 -1.9531 -1.9249
0.7253 0.7676 1.0922 1.1426 2.0839 2.1840 2.4853 2.5667
2.8010 2.8285 3.0002 3.0490 3.1345 3.1454 3.1611 3.1934
4.2705 4.3238 4.3399 4.4342 4.4589 4.4788 4.5334 4.5602
4.8157 4.8249 4.9348 4.9826 5.2710 5.2949 5.5016 5.5294
5.8120 5.8663 6.1066 6.1551 7.8366 7.9473 9.2418 9.3409
10.0568 10.1433 10.2351 10.2754
k = 0.3875-0.0983 0.6784 ( 4586 PWs) bands (ev):
-8.0311 -8.0294 -6.9601 -6.9571 -6.6220 -6.6191 -2.0119 -1.9837
0.7119 0.7542 1.0929 1.1336 2.0687 2.1667 2.4758 2.5568
2.7782 2.8050 2.9860 3.0362 3.1311 3.1414 3.1598 3.1835
4.2661 4.3207 4.3428 4.4309 4.4591 4.4783 4.5323 4.5614
4.8097 4.8191 4.9251 4.9905 5.2252 5.2537 5.4682 5.4995
5.8048 5.8601 6.1075 6.1564 7.8936 8.0061 9.2932 9.3953
10.0403 10.1209 10.2739 10.3135
k = 0.3812-0.0873 0.6959 ( 4588 PWs) bands (ev):
-8.0009 -7.9992 -6.9543 -6.9512 -6.6120 -6.6090 -2.0729 -2.0451
0.6989 0.7417 1.0976 1.1289 2.0521 2.1466 2.4660 2.5455
2.7574 2.7839 2.9709 3.0216 3.1258 3.1389 3.1602 3.1736
4.2614 4.3163 4.3470 4.4276 4.4591 4.4784 4.5306 4.5623
4.7938 4.8185 4.9210 5.0005 5.1802 5.2132 5.4352 5.4701
5.7962 5.8523 6.1081 6.1570 7.9364 8.0474 9.3584 9.4607
10.0192 10.0956 10.3184 10.3601
k = 0.3750-0.0764 0.7134 ( 4590 PWs) bands (ev):
-7.9697 -7.9680 -6.9488 -6.9456 -6.6018 -6.5987 -2.1359 -2.1086
0.6872 0.7309 1.1047 1.1274 2.0347 2.1249 2.4543 2.5318
2.7399 2.7661 2.9549 3.0051 3.1188 3.1384 3.1595 3.1659
4.2567 4.3113 4.3516 4.4244 4.4585 4.4790 4.5286 4.5629
4.7775 4.8141 4.9225 5.0118 5.1369 5.1743 5.4027 5.4412
5.7861 5.8428 6.1080 6.1567 7.9656 8.0724 9.4341 9.5341
9.9961 10.0695 10.3688 10.4140
k = 0.3688-0.0654 0.7309 ( 4586 PWs) bands (ev):
-7.9376 -7.9359 -6.9437 -6.9404 -6.5917 -6.5885 -2.2003 -2.1737
0.6777 0.7223 1.1129 1.1281 2.0173 2.1028 2.4395 2.5149
2.7264 2.7525 2.9382 2.9870 3.1110 3.1387 3.1517 3.1662
4.2522 4.3059 4.3564 4.4216 4.4573 4.4801 4.5263 4.5635
4.7616 4.8069 4.9279 5.0230 5.0970 5.1375 5.3711 5.4129
5.7745 5.8314 6.1072 6.1553 7.9828 8.0835 9.5150 9.6111
9.9720 10.0430 10.4264 10.4754
k = 0.3625-0.0545 0.7484 ( 4578 PWs) bands (ev):
-7.9048 -7.9030 -6.9390 -6.9357 -6.5815 -6.5782 -2.2654 -2.2397
0.6705 0.7159 1.1211 1.1303 2.0005 2.0814 2.4208 2.4946
2.7169 2.7430 2.9209 2.9676 3.1028 3.1362 3.1454 3.1688
4.2480 4.3002 4.3613 4.4192 4.4555 4.4815 4.5241 4.5638
4.7465 4.7979 4.9346 5.0289 5.0665 5.1037 5.3405 5.3854
5.7615 5.8183 6.1052 6.1526 7.9900 8.0836 9.5954 9.6867
9.9478 10.0164 10.4926 10.5451
k = 0.3563-0.0435 0.7660 ( 4578 PWs) bands (ev):
-7.8713 -7.8695 -6.9350 -6.9316 -6.5714 -6.5680 -2.3309 -2.3061
0.6659 0.7118 1.1272 1.1345 1.9851 2.0616 2.3984 2.4715
2.7108 2.7373 2.9035 2.9471 3.0945 3.1271 3.1460 3.1719
4.2441 4.2945 4.3659 4.4172 4.4530 4.4827 4.5222 4.5640
4.7325 4.7877 4.9387 5.0140 5.0601 5.0766 5.3113 5.3587
5.7473 5.8037 6.1019 6.1485 7.9894 8.0757 9.6705 9.7556
9.9246 9.9901 10.5682 10.6232
k = 0.3500-0.0326 0.7835 ( 4576 PWs) bands (ev):
-7.8374 -7.8356 -6.9316 -6.9282 -6.5614 -6.5580 -2.3960 -2.3724
0.6636 0.7100 1.1303 1.1407 1.9717 2.0442 2.3729 2.4463
2.7069 2.7344 2.8862 2.9262 3.0861 3.1162 3.1486 3.1751
4.2407 4.2887 4.3703 4.4159 4.4501 4.4836 4.5209 4.5640
4.7200 4.7764 4.9330 4.9948 5.0460 5.0782 5.2838 5.3331
5.7322 5.7877 6.0971 6.1426 7.9832 8.0625 9.7366 9.8117
9.9056 9.9642 10.6523 10.7086
k = 0.3438-0.0216 0.8010 ( 4578 PWs) bands (ev):
-7.8031 -7.8014 -6.9289 -6.9256 -6.5517 -6.5481 -2.4604 -2.4379
0.6636 0.7100 1.1318 1.1467 1.9606 2.0298 2.3451 2.4201
2.7033 2.7330 2.8695 2.9056 3.0779 3.1051 3.1518 3.1784
4.2377 4.2830 4.3741 4.4153 4.4466 4.4840 4.5204 4.5638
4.7091 4.7640 4.9145 4.9805 5.0350 5.0914 5.2585 5.3085
5.7163 5.7706 6.0905 6.1351 7.9733 8.0459 9.7919 9.8389
9.9053 9.9397 10.7422 10.7985
k = 0.3375-0.0107 0.8185 ( 4584 PWs) bands (ev):
-7.7688 -7.7671 -6.9270 -6.9237 -6.5421 -6.5386 -2.5234 -2.5022
0.6655 0.7116 1.1322 1.1514 1.9521 2.0189 2.3162 2.3936
2.6982 2.7318 2.8535 2.8868 3.0698 3.0939 3.1554 3.1817
4.2354 4.2776 4.3773 4.4155 4.4427 4.4839 4.5206 4.5636
4.7001 4.7501 4.8903 4.9633 5.0376 5.1056 5.2361 5.2852
5.7000 5.7528 6.0822 6.1257 7.9609 8.0276 9.8291 9.8356
9.9139 9.9360 10.8335 10.8887
k = 0.3312 0.0003 0.8360 ( 4586 PWs) bands (ev):
-7.7346 -7.7329 -6.9260 -6.9227 -6.5330 -6.5293 -2.5844 -2.5646
0.6690 0.7144 1.1316 1.1546 1.9462 2.0116 2.2870 2.3680
2.6901 2.7294 2.8381 2.8719 3.0620 3.0829 3.1592 3.1849
4.2335 4.2725 4.3796 4.4163 4.4384 4.4835 4.5214 4.5633
4.6929 4.7347 4.8660 4.9445 5.0477 5.1189 5.2175 5.2631
5.6836 5.7346 6.0720 6.1145 7.9474 8.0089 9.8089 9.8595
9.9030 9.9653 10.9210 10.9739
k = 0.3250 0.0112 0.8535 ( 4586 PWs) bands (ev):
-7.7006 -7.6990 -6.9259 -6.9227 -6.5242 -6.5205 -2.6431 -2.6246
0.6736 0.7181 1.1304 1.1564 1.9429 2.0079 2.2584 2.3438
2.6779 2.7240 2.8231 2.8624 3.0547 3.0723 3.1631 3.1880
4.2322 4.2678 4.3811 4.4174 4.4343 4.4830 4.5225 4.5632
4.6873 4.7178 4.8436 4.9268 5.0600 5.1299 5.2044 5.2424
5.6673 5.7163 6.0600 6.1016 7.9335 7.9906 9.7865 9.8509
9.9167 9.9911 10.9994 11.0490
k = 0.3187 0.0222 0.8710 ( 4588 PWs) bands (ev):
-7.6673 -7.6658 -6.9266 -6.9235 -6.5158 -6.5121 -2.6990 -2.6818
0.6791 0.7222 1.1287 1.1567 1.9418 2.0073 2.2313 2.3218
2.6619 2.7139 2.8100 2.8580 3.0479 3.0625 3.1670 3.1909
4.2313 4.2637 4.3818 4.4176 4.4309 4.4828 4.5236 4.5635
4.6831 4.6998 4.8235 4.9114 5.0714 5.1370 5.1988 5.2239
5.6515 5.6984 6.0463 6.0871 7.9200 7.9734 9.7640 9.8309
9.9364 10.0121 11.0656 11.1106
k = 0.3125 0.0332 0.8885 ( 4582 PWs) bands (ev):
-7.6348 -7.6333 -6.9283 -6.9252 -6.5080 -6.5042 -2.7515 -2.7358
0.6850 0.7263 1.1270 1.1560 1.9425 2.0092 2.2065 2.3026
2.6425 2.6986 2.8001 2.8569 3.0418 3.0537 3.1709 3.1936
4.2308 4.2602 4.3821 4.4157 4.4295 4.4831 4.5246 4.5643
4.6792 4.6821 4.8060 4.8985 5.0788 5.1418 5.1956 5.2128
5.6365 5.6813 6.0310 6.0711 7.9073 7.9577 9.7422 9.8097
9.9533 10.0291 11.1193 11.1594
k = 0.3063 0.0441 0.9060 ( 4586 PWs) bands (ev):
-7.6035 -7.6021 -6.9307 -6.9278 -6.5007 -6.4969 -2.8003 -2.7860
0.6910 0.7300 1.1254 1.1545 1.9443 2.0125 2.1851 2.2867
2.6208 2.6789 2.7929 2.8576 3.0364 3.0462 3.1746 3.1961
4.2306 4.2573 4.3819 4.4118 4.4294 4.4840 4.5253 4.5657
4.6631 4.6771 4.7912 4.8879 5.0800 5.1486 5.1829 5.2180
5.6226 5.6654 6.0143 6.0541 7.8957 7.9438 9.7215 9.7892
9.9668 10.0427 11.1633 11.1988
k = 0.3000 0.0551 0.9235 ( 4588 PWs) bands (ev):
-7.5737 -7.5724 -6.9339 -6.9312 -6.4940 -6.4902 -2.8450 -2.8321
0.6969 0.7332 1.1242 1.1526 1.9468 2.0156 2.1686 2.2745
2.5977 2.6563 2.7875 2.8587 3.0318 3.0402 3.1781 3.1983
4.2307 4.2550 4.3812 4.4074 4.4293 4.4856 4.5258 4.5677
4.6461 4.6738 4.7795 4.8791 5.0763 5.1564 5.1706 5.2287
5.6100 5.6512 5.9967 6.0362 7.8854 7.9317 9.7020 9.7699
9.9775 10.0536 11.2008 11.2328
k = 0.2938 0.0660 0.9410 ( 4590 PWs) bands (ev):
-7.5458 -7.5445 -6.9377 -6.9351 -6.4880 -6.4842 -2.8852 -2.8738
0.7023 0.7357 1.1238 1.1504 1.9495 2.0167 2.1583 2.2661
2.5742 2.6323 2.7830 2.8596 3.0280 3.0357 3.1813 3.2003
4.2309 4.2535 4.3801 4.4034 4.4285 4.4879 4.5262 4.5703
4.6306 4.6694 4.7712 4.8716 5.0705 5.1493 5.1759 5.2401
5.5989 5.6391 5.9785 6.0182 7.8764 7.9216 9.6842 9.7521
9.9859 10.0623 11.2346 11.2640
k = 0.2875 0.0770 0.9585 ( 4594 PWs) bands (ev):
-7.5202 -7.5190 -6.9419 -6.9395 -6.4827 -6.4789 -2.9206 -2.9107
0.7073 0.7373 1.1240 1.1483 1.9521 2.0145 2.1551 2.2613
2.5509 2.6082 2.7788 2.8598 3.0252 3.0326 3.1841 3.2021
4.2311 4.2524 4.3785 4.4003 4.4267 4.4906 4.5264 4.5732
4.6173 4.6637 4.7664 4.8652 5.0646 5.1362 5.1887 5.2506
5.5896 5.6294 5.9604 6.0003 7.8689 7.9133 9.6682 9.7362
9.9925 10.0694 11.2662 11.2937
k = 0.2812 0.0879 0.9760 ( 4598 PWs) bands (ev):
-7.4973 -7.4962 -6.9462 -6.9440 -6.4782 -6.4743 -2.9509 -2.9425
0.7117 0.7381 1.1250 1.1462 1.9544 2.0090 2.1585 2.2596
2.5288 2.5848 2.7748 2.8593 3.0235 3.0304 3.1865 3.2037
4.2315 4.2519 4.3762 4.3985 4.4240 4.4935 4.5265 4.5760
4.6068 4.6566 4.7648 4.8594 5.0597 5.1236 5.2016 5.2594
5.5822 5.6222 5.9430 5.9834 7.8627 7.9066 9.6542 9.7223
9.9976 10.0749 11.2963 11.3223
k = 0.2750 0.0989 0.9935 ( 4592 PWs) bands (ev):
-7.4777 -7.4766 -6.9505 -6.9484 -6.4744 -6.4705 -2.9760 -2.9690
0.7154 0.7383 1.1265 1.1443 1.9567 2.0013 2.1665 2.2602
2.5087 2.5632 2.7712 2.8583 3.0227 3.0289 3.1885 3.2050
4.2318 4.2516 4.3738 4.3981 4.4207 4.4964 4.5265 4.5777
4.6004 4.6486 4.7655 4.8543 5.0561 5.1123 5.2136 5.2662
5.5766 5.6174 5.9270 5.9680 7.8578 7.9015 9.6425 9.7107
10.0014 10.0792 11.3252 11.3498
k = 0.2687 0.1098 1.0110 ( 4594 PWs) bands (ev):
-7.4618 -7.4607 -6.9542 -6.9523 -6.4714 -6.4676 -2.9956 -2.9899
0.7184 0.7379 1.1285 1.1425 1.9590 1.9929 2.1768 2.2620
2.4918 2.5442 2.7681 2.8570 3.0227 3.0279 3.1900 3.2060
4.2322 4.2516 4.3713 4.3987 4.4170 4.4989 4.5263 4.5768
4.5993 4.6401 4.7676 4.8496 5.0541 5.1024 5.2239 5.2708
5.5729 5.6145 5.9132 5.9550 7.8541 7.8978 9.6331 9.7014
10.0042 10.0825 11.3522 11.3757
k = 0.2625 0.1208 1.0285 ( 4594 PWs) bands (ev):
-7.4500 -7.4490 -6.9572 -6.9555 -6.4693 -6.4654 -3.0096 -3.0051
0.7208 0.7373 1.1305 1.1408 1.9618 1.9848 2.1867 2.2638
2.4790 2.5290 2.7657 2.8557 3.0230 3.0272 3.1910 3.2068
4.2325 4.2516 4.3694 4.4003 4.4131 4.5009 4.5261 4.5744
4.6025 4.6318 4.7701 4.8457 5.0534 5.0946 5.2321 5.2734
5.5706 5.6131 5.9025 5.9450 7.8515 7.8952 9.6264 9.6947
10.0062 10.0847 11.3765 11.3988
k = 0.2562 0.1317 1.0460 ( 4600 PWs) bands (ev):
-7.4428 -7.4418 -6.9591 -6.9575 -6.4680 -6.4641 -3.0179 -3.0144
0.7223 0.7368 1.1323 1.1393 1.9651 1.9779 2.1941 2.2649
2.4711 2.5191 2.7641 2.8549 3.0234 3.0267 3.1915 3.2072
4.2327 4.2517 4.3681 4.4026 4.4093 4.5022 4.5259 4.5724
4.6077 4.6241 4.7721 4.8430 5.0534 5.0895 5.2374 5.2745
5.5695 5.6125 5.8957 5.9387 7.8500 7.8937 9.6223 9.6907
10.0073 10.0860 11.3953 11.4168
k = 0.2500 0.1427 1.0635 ( 4600 PWs) bands (ev):
-7.4403 -7.4393 -6.9598 -6.9582 -6.4676 -6.4637 -3.0207 -3.0175
0.7229 0.7365 1.1331 1.1386 1.9675 1.9742 2.1968 2.2653
2.4684 2.5156 2.7636 2.8546 3.0236 3.0266 3.1917 3.2073
4.2328 4.2517 4.3676 4.4050 4.4064 4.5026 4.5257 4.5717
4.6112 4.6197 4.7729 4.8420 5.0535 5.0877 5.2392 5.2748
5.5692 5.6124 5.8933 5.9365 7.8495 7.8932 9.6209 9.6893
10.0076 10.0865 11.4031 11.4244
k = 0.0814-0.1427 1.0635 ( 4578 PWs) bands (ev):
-7.4812 -7.4804 -6.9394 -6.9380 -6.5051 -6.5050 -2.9435 -2.9368
0.7042 0.7272 1.4277 1.4512 1.5843 1.6077 2.2662 2.3153
2.6871 2.7045 2.7993 2.8142 3.0672 3.0991 3.1183 3.1276
4.2577 4.2770 4.4077 4.4142 4.4482 4.4504 4.5441 4.5572
4.6245 4.6546 4.6962 4.7027 4.9295 4.9389 5.3048 5.3188
5.6952 5.7062 5.8681 5.8837 7.7636 7.7979 9.7742 9.7933
9.8750 9.8846 10.9443 10.9509
k = 0.0876-0.1535 1.0463 ( 4578 PWs) bands (ev):
-7.5007 -7.4998 -6.9336 -6.9319 -6.5133 -6.5131 -2.9158 -2.9075
0.6951 0.7207 1.4479 1.4690 1.5728 1.5934 2.3010 2.3552
2.6809 2.7068 2.8022 2.8210 3.0621 3.0975 3.1132 3.1190
4.2504 4.2762 4.4042 4.4170 4.4473 4.4493 4.5459 4.5569
4.6229 4.6624 4.7090 4.7215 4.9343 4.9470 5.3096 5.3314
5.6686 5.6788 5.8564 5.8704 7.8052 7.8420 9.8032 9.8248
9.9060 9.9161 10.8992 10.9046
k = 0.0938-0.1643 1.0290 ( 4574 PWs) bands (ev):
-7.5236 -7.5225 -6.9274 -6.9254 -6.5222 -6.5219 -2.8832 -2.8733
0.6869 0.7151 1.4654 1.4790 1.5696 1.5820 2.3334 2.3924
2.6785 2.7123 2.8071 2.8293 3.0560 3.0946 3.1084 3.1113
4.2434 4.2758 4.4008 4.4186 4.4470 4.4478 4.5470 4.5563
4.6240 4.6686 4.7262 4.7423 4.9406 4.9576 5.3146 5.3444
5.6437 5.6530 5.8465 5.8586 7.8466 7.8859 9.8316 9.8557
9.9345 9.9449 10.8524 10.8566
k = 0.0999-0.1751 1.0117 ( 4581 PWs) bands (ev):
-7.5492 -7.5480 -6.9210 -6.9188 -6.5317 -6.5313 -2.8457 -2.8343
0.6799 0.7105 1.4761 1.4770 1.5771 1.5787 2.3638 2.4266
2.6800 2.7207 2.8137 2.8389 3.0491 3.0895 3.1041 3.1057
4.2366 4.2758 4.3975 4.4190 4.4438 4.4493 4.5471 4.5551
4.6277 4.6740 4.7469 4.7652 4.9485 4.9705 5.3195 5.3573
5.6206 5.6290 5.8388 5.8490 7.8872 7.9289 9.8589 9.8853
9.9600 9.9706 10.8037 10.8067
k = 0.1061-0.1859 0.9944 ( 4577 PWs) bands (ev):
-7.5771 -7.5759 -6.9148 -6.9123 -6.5419 -6.5413 -2.8038 -2.7909
0.6740 0.7070 1.4649 1.4762 1.5827 1.5976 2.3925 2.4581
2.6855 2.7317 2.8217 2.8495 3.0418 3.0826 3.1003 3.1024
4.2305 4.2761 4.3941 4.4186 4.4404 4.4516 4.5465 4.5535
4.6333 4.6788 4.7710 4.7902 4.9580 4.9859 5.3238 5.3695
5.5994 5.6069 5.8338 5.8421 7.9264 7.9707 9.8845 9.9123
9.9825 9.9924 10.7524 10.7545
k = 0.1123-0.1967 0.9771 ( 4580 PWs) bands (ev):
-7.6070 -7.6056 -6.9090 -6.9063 -6.5526 -6.5520 -2.7577 -2.7433
0.6693 0.7046 1.4475 1.4656 1.5984 1.6217 2.4199 2.4868
2.6948 2.7445 2.8309 2.8604 3.0346 3.0751 3.0968 3.1002
4.2250 4.2769 4.3907 4.4178 4.4371 4.4543 4.5453 4.5514
4.6400 4.6832 4.7979 4.8173 4.9693 5.0036 5.3271 5.3803
5.5803 5.5871 5.8320 5.8386 7.9635 8.0105 9.9075 9.9350
10.0025 10.0103 10.6978 10.6993
k = 0.1184-0.2076 0.9598 ( 4577 PWs) bands (ev):
-7.6383 -7.6369 -6.9037 -6.9009 -6.5638 -6.5631 -2.7077 -2.6918
0.6660 0.7036 1.4270 1.4484 1.6201 1.6485 2.4467 2.5134
2.7074 2.7583 2.8410 2.8711 3.0284 3.0684 3.0938 3.0987
4.2203 4.2780 4.3872 4.4169 4.4344 4.4572 4.5438 4.5488
4.6470 4.6869 4.8278 4.8467 4.9823 5.0236 5.3289 5.3891
5.5634 5.5697 5.8337 5.8391 7.9979 8.0477 9.9265 9.9503
10.0219 10.0245 10.6391 10.6405
k = 0.1246-0.2184 0.9425 ( 4575 PWs) bands (ev):
-7.6707 -7.6692 -6.8992 -6.8962 -6.5755 -6.5747 -2.6542 -2.6369
0.6643 0.7040 1.4046 1.4273 1.6450 1.6766 2.4733 2.5384
2.7226 2.7721 2.8518 2.8809 3.0239 3.0630 3.0910 3.0976
4.2166 4.2796 4.3836 4.4160 4.4326 4.4602 4.5422 4.5459
4.6537 4.6899 4.8605 4.8783 4.9970 5.0456 5.3290 5.3952
5.5486 5.5548 5.8395 5.8440 8.0287 8.0818 9.9393 9.9554
10.0359 10.0422 10.5759 10.5777
k = 0.1308-0.2292 0.9252 ( 4575 PWs) bands (ev):
-7.7040 -7.7024 -6.8955 -6.8924 -6.5875 -6.5866 -2.5976 -2.5789
0.6642 0.7061 1.3808 1.4038 1.6716 1.7054 2.5001 2.5625
2.7395 2.7850 2.8632 2.8890 3.0220 3.0594 3.0885 3.0970
4.2139 4.2815 4.3799 4.4151 4.4317 4.4633 4.5406 4.5427
4.6597 4.6922 4.8959 4.9120 5.0135 5.0693 5.3272 5.3982
5.5360 5.5428 5.8494 5.8537 8.0552 8.1117 9.9430 9.9487
10.0460 10.0632 10.5086 10.5115
k = 0.1370-0.2400 0.9080 ( 4586 PWs) bands (ev):
-7.7378 -7.7362 -6.8925 -6.8894 -6.5999 -6.5989 -2.5383 -2.5182
0.6659 0.7099 1.3558 1.3786 1.6989 1.7345 2.5274 2.5863
2.7573 2.7962 2.8753 2.8949 3.0234 3.0578 3.0863 3.0969
4.2123 4.2838 4.3762 4.4142 4.4318 4.4664 4.5390 4.5393
4.6647 4.6936 4.9340 4.9477 5.0318 5.0944 5.3237 5.3978
5.5256 5.5337 5.8634 5.8682 8.0765 8.1369 9.9291 9.9344
10.0559 10.0840 10.4392 10.4436
k = 0.1431-0.2508 0.8907 ( 4580 PWs) bands (ev):
-7.7719 -7.7702 -6.8905 -6.8872 -6.6125 -6.6115 -2.4767 -2.4553
0.6698 0.7157 1.3301 1.3523 1.7265 1.7634 2.5553 2.6101
2.7754 2.8053 2.8881 2.8989 3.0282 3.0582 3.0846 3.0977
4.2118 4.2865 4.3728 4.4135 4.4331 4.4697 4.5358 4.5377
4.6686 4.6943 4.9745 4.9852 5.0519 5.1206 5.3187 5.3944
5.5173 5.5278 5.8814 5.8873 8.0914 8.1561 9.8950 9.9107
10.0656 10.1034 10.3712 10.3776
k = 0.1493-0.2616 0.8734 ( 4575 PWs) bands (ev):
-7.8061 -7.8043 -6.8893 -6.8860 -6.6253 -6.6242 -2.4133 -2.3906
0.6761 0.7239 1.3037 1.3251 1.7539 1.7917 2.5840 2.6341
2.7931 2.8123 2.9012 2.9015 3.0358 3.0602 3.0833 3.0996
4.2125 4.2894 4.3697 4.4128 4.4352 4.4730 4.5324 4.5364
4.6713 4.6943 5.0175 5.0237 5.0744 5.1474 5.3127 5.3883
5.5115 5.5249 5.9031 5.9104 8.0989 8.1682 9.8441 9.8699
10.0738 10.1205 10.3092 10.3184
k = 0.1555-0.2724 0.8561 ( 4577 PWs) bands (ev):
-7.8401 -7.8383 -6.8888 -6.8855 -6.6382 -6.6371 -2.3485 -2.3246
0.6850 0.7345 1.2769 1.2973 1.7807 1.8190 2.6132 2.6583
2.8102 2.8176 2.9037 2.9143 3.0451 3.0635 3.0829 3.1031
4.2143 4.2926 4.3669 4.4122 4.4381 4.4762 4.5290 4.5353
4.6729 4.6937 5.0607 5.0623 5.1011 5.1741 5.3062 5.3803
5.5080 5.5251 5.9280 5.9370 8.0975 8.1719 9.7760 9.8112
10.0794 10.1344 10.2573 10.2703
k = 0.1617-0.2833 0.8388 ( 4577 PWs) bands (ev):
-7.8737 -7.8720 -6.8892 -6.8859 -6.6512 -6.6500 -2.2829 -2.2579
0.6968 0.7478 1.2498 1.2692 1.8064 1.8449 2.6428 2.6826
2.8219 2.8264 2.9067 2.9272 3.0549 3.0673 3.0840 3.1084
4.2172 4.2960 4.3645 4.4117 4.4418 4.4794 4.5257 4.5345
4.6734 4.6927 5.0923 5.1085 5.1356 5.2002 5.3004 5.3712
5.5073 5.5281 5.9557 5.9665 8.0858 8.1655 9.6929 9.7369
10.0816 10.1445 10.2172 10.2350
k = 0.1678-0.2941 0.8215 ( 4577 PWs) bands (ev):
-7.9069 -7.9052 -6.8903 -6.8870 -6.6641 -6.6630 -2.2170 -2.1910
0.7118 0.7643 1.2227 1.2410 1.8307 1.8690 2.6727 2.7065
2.8258 2.8418 2.9113 2.9395 3.0631 3.0713 3.0879 3.1156
4.2212 4.2996 4.3626 4.4112 4.4461 4.4826 4.5225 4.5338
4.6729 4.6915 5.1180 5.1538 5.1775 5.2253 5.2974 5.3622
5.5095 5.5340 5.9856 5.9982 8.0622 8.1471 9.5999 9.6519
10.0802 10.1494 10.1887 10.2110
k = 0.1740-0.3049 0.8042 ( 4573 PWs) bands (ev):
-7.9395 -7.9377 -6.8919 -6.8887 -6.6770 -6.6758 -2.1512 -2.1243
0.7302 0.7840 1.1958 1.2129 1.8533 1.8909 2.7024 2.7297
2.8300 2.8566 2.9179 2.9511 3.0683 3.0754 3.0959 3.1245
4.2261 4.3033 4.3612 4.4107 4.4509 4.4855 4.5194 4.5334
4.6717 4.6901 5.1402 5.1915 5.2224 5.2518 5.3013 5.3554
5.5149 5.5425 6.0174 6.0316 8.0254 8.1150 9.5033 9.5621
10.0759 10.1473 10.1714 10.1950
k = 0.1802-0.3157 0.7870 ( 4575 PWs) bands (ev):
-7.9712 -7.9695 -6.8942 -6.8910 -6.6898 -6.6886 -2.0861 -2.0585
0.7525 0.8073 1.1691 1.1851 1.8738 1.9104 2.7316 2.7514
2.8350 2.8716 2.9264 2.9620 3.0712 3.0797 3.1067 3.1347
4.2319 4.3070 4.3601 4.4102 4.4560 4.4883 4.5164 4.5332
4.6698 4.6887 5.1603 5.2101 5.2636 5.2840 5.3190 5.3563
5.5237 5.5537 6.0504 6.0660 7.9742 8.0673 9.4086 9.4728
10.0697 10.1392 10.1619 10.1837
k = 0.1863-0.3265 0.7697 ( 4579 PWs) bands (ev):
-8.0021 -8.0004 -6.8970 -6.8938 -6.7023 -6.7012 -2.0222 -1.9941
0.7787 0.8343 1.1431 1.1578 1.8921 1.9272 2.7596 2.7712
2.8414 2.8875 2.9367 2.9724 3.0735 3.0843 3.1187 3.1459
4.2385 4.3106 4.3596 4.4097 4.4613 4.4908 4.5134 4.5332
4.6674 4.6875 5.1782 5.2121 5.2883 5.3103 5.3593 5.3778
5.5361 5.5671 6.0843 6.1009 7.9081 8.0032 9.3202 9.3878
10.0616 10.1302 10.1537 10.1753
k = 0.1925-0.3373 0.7524 ( 4579 PWs) bands (ev):
-8.0319 -8.0302 -6.9001 -6.8971 -6.7146 -6.7135 -1.9600 -1.9315
0.8090 0.8652 1.1177 1.1312 1.9079 1.9412 2.7854 2.7886
2.8499 2.9048 2.9483 2.9824 3.0758 3.0892 3.1311 3.1576
4.2458 4.3141 4.3594 4.4092 4.4665 4.4929 4.5105 4.5333
4.6646 4.6866 5.1930 5.2068 5.2949 5.3295 5.4140 5.4225
5.5517 5.5827 6.1186 6.1360 7.8275 7.9226 9.2408 9.3097
10.0508 10.1188 10.1471 10.1693
k = 0.1987-0.3482 0.7351 ( 4579 PWs) bands (ev):
-8.0606 -8.0590 -6.9036 -6.9007 -6.7266 -6.7255 -1.8999 -1.8713
0.8435 0.9001 1.0933 1.1055 1.9213 1.9525 2.8035 2.8074
2.8616 2.9236 2.9609 2.9924 3.0786 3.0945 3.1435 3.1696
4.2535 4.3174 4.3597 4.4086 4.4716 4.4948 4.5076 4.5336
4.6616 4.6860 5.1987 5.2035 5.2971 5.3461 5.4743 5.4779
5.5703 5.6003 6.1529 6.1709 7.7336 7.8268 9.1712 9.2395
10.0357 10.0999 10.1464 10.1669
k = 0.2049-0.3590 0.7178 ( 4575 PWs) bands (ev):
-8.0881 -8.0865 -6.9074 -6.9045 -6.7382 -6.7371 -1.8423 -1.8139
0.8819 0.9386 1.0702 1.0809 1.9322 1.9611 2.8160 2.8243
2.8774 2.9435 2.9742 3.0026 3.0821 3.1001 3.1559 3.1818
4.2616 4.3203 4.3604 4.4079 4.4764 4.4962 4.5048 4.5340
4.6583 4.6859 5.1894 5.2080 5.3024 5.3610 5.5373 5.5377
5.5915 5.6201 6.1869 6.2051 7.6288 7.7183 9.1112 9.1770
10.0143 10.0727 10.1522 10.1691
k = 0.2110-0.3698 0.7005 ( 4581 PWs) bands (ev):
-8.1143 -8.1128 -6.9113 -6.9086 -6.7494 -6.7483 -1.7877 -1.7596
0.9234 0.9800 1.0493 1.0585 1.9409 1.9673 2.8263 2.8361
2.8966 2.9637 2.9881 3.0134 3.0863 3.1061 3.1682 3.1941
4.2698 4.3227 4.3616 4.4071 4.4808 4.4966 4.5025 4.5342
4.6549 4.6861 5.1797 5.2067 5.3124 5.3747 5.5965 5.6000
5.6170 5.6442 6.2203 6.2383 7.5155 7.6003 9.0594 9.1214
9.9860 10.0383 10.1630 10.1765
k = 0.2172-0.3806 0.6832 ( 4571 PWs) bands (ev):
-8.1391 -8.1376 -6.9154 -6.9128 -6.7601 -6.7590 -1.7363 -1.7088
0.9640 1.0143 1.0346 1.0481 1.9476 1.9713 2.8346 2.8444
2.9173 2.9833 3.0025 3.0249 3.0914 3.1122 3.1804 3.2063
4.2780 4.3246 4.3632 4.4061 4.4848 4.4951 4.5018 4.5344
4.6514 4.6866 5.1702 5.2014 5.3264 5.3874 5.6344 5.6417
5.6732 5.6849 6.2527 6.2703 7.3970 7.4761 9.0140 9.0716
9.9508 9.9975 10.1782 10.1889
k = 0.2234-0.3914 0.6660 ( 4579 PWs) bands (ev):
-8.1624 -8.1611 -6.9195 -6.9170 -6.7703 -6.7693 -1.6883 -1.6617
0.9827 1.0059 1.0469 1.0849 1.9524 1.9734 2.8412 2.8503
2.9379 3.0010 3.0176 3.0368 3.0974 3.1186 3.1926 3.2185
4.2859 4.3257 4.3653 4.4049 4.4884 4.4920 4.5024 4.5341
4.6476 4.6871 5.1609 5.1938 5.3425 5.3992 5.6587 5.6682
5.7409 5.7457 6.2840 6.3009 7.2761 7.3492 8.9737 9.0264
9.9094 9.9510 10.1972 10.2058
k = 0.2295-0.4022 0.6487 ( 4584 PWs) bands (ev):
-8.1843 -8.1830 -6.9235 -6.9212 -6.7799 -6.7789 -1.6440 -1.6184
0.9728 0.9872 1.0923 1.1363 1.9558 1.9740 2.8464 2.8546
2.9574 3.0158 3.0335 3.0490 3.1045 3.1251 3.2049 3.2305
4.2933 4.3261 4.3679 4.4035 4.4883 4.4915 4.5033 4.5335
4.6435 4.6874 5.1521 5.1852 5.3595 5.4101 5.6823 5.6898
5.8095 5.8119 6.3139 6.3298 7.1558 7.2226 8.9369 8.9848
9.8627 9.8997 10.2195 10.2263
k = 0.2357-0.4130 0.6314 ( 4582 PWs) bands (ev):
-8.2046 -8.2034 -6.9274 -6.9253 -6.7888 -6.7880 -1.6034 -1.5792
0.9572 0.9686 1.1474 1.1911 1.9580 1.9734 2.8505 2.8575
2.9753 3.0277 3.0492 3.0610 3.1127 3.1320 3.2174 3.2425
4.3001 4.3257 4.3707 4.4018 4.4845 4.4945 4.5045 4.5323
4.6390 4.6873 5.1439 5.1762 5.3765 5.4199 5.7053 5.7100
5.8781 5.8793 6.3422 6.3569 7.0387 7.0992 8.9029 8.9460
9.8119 9.8446 10.2446 10.2498
k = 0.2419-0.4239 0.6141 ( 4580 PWs) bands (ev):
-8.2232 -8.2222 -6.9312 -6.9293 -6.7972 -6.7964 -1.5666 -1.5440
0.9416 0.9511 1.2059 1.2476 1.9593 1.9720 2.8535 2.8595
2.9915 3.0374 3.0637 3.0724 3.1220 3.1392 3.2300 3.2542
4.3062 4.3246 4.3738 4.3997 4.4808 4.4972 4.5057 4.5305
4.6339 4.6863 5.1364 5.1673 5.3926 5.4284 5.7274 5.7292
5.9457 5.9463 6.3689 6.3820 6.9272 6.9813 8.8710 8.9094
9.7580 9.7868 10.2719 10.2756
k = 0.2481-0.4347 0.5968 ( 4570 PWs) bands (ev):
-8.2403 -8.2393 -6.9348 -6.9331 -6.8048 -6.8041 -1.5336 -1.5127
0.9268 0.9350 1.2658 1.3046 1.9600 1.9700 2.8557 2.8607
3.0059 3.0451 3.0763 3.0827 3.1322 3.1468 3.2426 3.2656
4.3112 4.3229 4.3770 4.3974 4.4774 4.4998 4.5071 4.5282
4.6284 4.6843 5.1297 5.1587 5.4071 5.4353 5.7477 5.7486
6.0115 6.0117 6.3938 6.4050 6.8236 6.8713 8.8409 8.8749
9.7025 9.7276 10.3007 10.3029
k = 0.2542-0.4455 0.5795 ( 4574 PWs) bands (ev):
-8.2556 -8.2547 -6.9382 -6.9366 -6.8117 -6.8111 -1.5043 -1.4854
0.9133 0.9204 1.3256 1.3608 1.9604 1.9679 2.8573 2.8613
3.0183 3.0512 3.0868 3.0916 3.1427 3.1545 3.2551 3.2765
4.3150 4.3205 4.3800 4.3948 4.4744 4.5022 4.5085 4.5252
4.6223 4.6808 5.1238 5.1505 5.4193 5.4403 5.7654 5.7686
6.0744 6.0745 6.4167 6.4258 6.7297 6.7709 8.8126 8.8423
9.6468 9.6683 10.3306 10.3312
k = 0.2604-0.4563 0.5622 ( 4568 PWs) bands (ev):
-8.2692 -8.2684 -6.9412 -6.9398 -6.8179 -6.8173 -1.4787 -1.4619
0.9012 0.9073 1.3837 1.4150 1.9607 1.9658 2.8584 2.8614
3.0290 3.0559 3.0952 3.0990 3.1532 3.1624 3.2672 3.2868
4.3171 4.3178 4.3829 4.3924 4.4721 4.5044 4.5101 4.5220
4.6161 4.6758 5.1187 5.1428 5.4286 5.4431 5.7824 5.7872
6.1334 6.1335 6.4377 6.4442 6.6473 6.6817 8.7862 8.8118
9.5923 9.6106 10.3599 10.3608
k = 0.2666-0.4671 0.5450 ( 4562 PWs) bands (ev):
-8.2810 -8.2803 -6.9439 -6.9427 -6.8233 -6.8228 -1.4566 -1.4420
0.8907 0.8958 1.4387 1.4656 1.9612 1.9641 2.8591 2.8613
3.0378 3.0595 3.1019 3.1050 3.1630 3.1699 3.2788 3.2962
4.3142 4.3181 4.3855 4.3902 4.4705 4.5055 4.5117 4.5190
4.6103 4.6692 5.1145 5.1358 5.4348 5.4439 5.7985 5.8043
6.1872 6.1874 6.4565 6.4595 6.5781 6.6047 8.7621 8.7838
9.5406 9.5559 10.3883 10.3908
k = 0.2727-0.4779 0.5277 ( 4560 PWs) bands (ev):
-8.2910 -8.2905 -6.9462 -6.9452 -6.8279 -6.8275 -1.4380 -1.4257
0.8817 0.8860 1.4890 1.5111 1.9618 1.9628 2.8595 2.8611
3.0451 3.0621 3.1070 3.1096 3.1719 3.1769 3.2895 3.3045
4.3108 4.3171 4.3876 4.3888 4.4698 4.5044 4.5133 4.5176
4.6054 4.6610 5.1112 5.1294 5.4380 5.4429 5.8134 5.8195
6.2346 6.2347 6.4683 6.4725 6.5260 6.5413 8.7407 8.7586
9.4934 9.5058 10.4161 10.4200
k = 0.2789-0.4887 0.5104 ( 4554 PWs) bands (ev):
-8.2993 -8.2988 -6.9481 -6.9473 -6.8317 -6.8313 -1.4227 -1.4128
0.8745 0.8778 1.5329 1.5502 1.9622 1.9625 2.8598 2.8608
3.0510 3.0638 3.1109 3.1130 3.1794 3.1830 3.2990 3.3114
4.3075 4.3147 4.3881 4.3893 4.4699 4.5005 4.5150 4.5182
4.6021 4.6517 5.1089 5.1237 5.4387 5.4408 5.8268 5.8326
6.2740 6.2741 6.4559 6.4765 6.5007 6.5062 8.7225 8.7368
9.4522 9.4619 10.4427 10.4479
k = 0.2851-0.4996 0.4931 ( 4554 PWs) bands (ev):
-8.3057 -8.3053 -6.9496 -6.9490 -6.8346 -6.8344 -1.4107 -1.4032
0.8688 0.8713 1.5690 1.5816 1.9623 1.9634 2.8598 2.8605
3.0555 3.0647 3.1138 3.1154 3.1855 3.1879 3.3072 3.3167
4.3047 4.3114 4.3881 4.3903 4.4709 4.4952 4.5167 4.5194
4.6010 4.6416 5.1075 5.1188 5.4377 5.4381 5.8382 5.8431
6.3037 6.3045 6.4304 6.4461 6.5049 6.5101 8.7081 8.7187
9.4186 9.4258 10.4679 10.4738
k = 0.2913-0.5104 0.4758 ( 4550 PWs) bands (ev):
-8.3103 -8.3100 -6.9507 -6.9503 -6.8367 -6.8365 -1.4018 -1.3968
0.8649 0.8666 1.5961 1.6043 1.9628 1.9640 2.8598 2.8603
3.0590 3.0650 3.1158 3.1170 3.1900 3.1915 3.3137 3.3202
4.3028 4.3079 4.3886 4.3908 4.4728 4.4896 4.5182 4.5204
4.6025 4.6314 5.1070 5.1147 5.4356 5.4360 5.8471 5.8506
6.3230 6.3247 6.4126 6.4213 6.5137 6.5164 8.6979 8.7050
9.3938 9.3986 10.4908 10.4967
k = 0.2974-0.5212 0.4585 ( 4555 PWs) bands (ev):
-8.3130 -8.3129 -6.9513 -6.9511 -6.8380 -6.8379 -1.3960 -1.3935
0.8627 0.8636 1.6134 1.6174 1.9635 1.9643 2.8597 2.8602
3.0616 3.0646 3.1170 3.1177 3.1928 3.1935 3.3183 3.3216
4.3021 4.3048 4.3894 4.3908 4.4757 4.4842 4.5194 4.5207
4.6067 4.6217 5.1076 5.1114 5.4340 5.4344 5.8530 5.8549
6.3327 6.3343 6.4046 6.4080 6.5197 6.5209 8.6923 8.6959
9.3790 9.3814 10.5096 10.5137
k = 0.3036-0.5320 0.4412 ( 4547 PWs) bands (ev):
-8.3139 -8.3139 -6.9514 -6.9514 -6.8384 -6.8383 -1.3932 -1.3932
0.8623 0.8623 1.6205 1.6206 1.9641 1.9642 2.8597 2.8601
3.0631 3.0638 3.1175 3.1179 3.1939 3.1940 3.3209 3.3211
4.3026 4.3030 4.3901 4.3903 4.4793 4.4798 4.5202 4.5205
4.6131 4.6134 5.1090 5.1091 5.4336 5.4336 5.8557 5.8557
6.3360 6.3360 6.4035 6.4035 6.5221 6.5221 8.6916 8.6916
9.3748 9.3748 10.5191 10.5191
k = 0.6964-0.0588 0.2854 ( 4547 PWs) bands (ev):
-8.3139 -8.3139 -6.9514 -6.9514 -6.8384 -6.8383 -1.3932 -1.3932
0.8623 0.8623 1.6205 1.6206 1.9641 1.9642 2.8597 2.8601
3.0631 3.0638 3.1175 3.1179 3.1939 3.1940 3.3209 3.3211
4.3026 4.3030 4.3901 4.3903 4.4793 4.4798 4.5202 4.5205
4.6131 4.6134 5.1090 5.1091 5.4336 5.4336 5.8557 5.8557
6.3360 6.3360 6.4035 6.4035 6.5221 6.5221 8.6916 8.6916
9.3748 9.3748 10.5191 10.5191
k = 0.6879-0.0438 0.2730 ( 4549 PWs) bands (ev):
-8.3171 -8.3171 -6.9342 -6.9342 -6.8534 -6.8534 -1.3872 -1.3872
0.8984 0.8985 1.5915 1.5916 1.9616 1.9616 2.8566 2.8569
3.0672 3.0679 3.1186 3.1191 3.1902 3.1903 3.3252 3.3254
4.3011 4.3014 4.3851 4.3853 4.4750 4.4755 4.5193 4.5197
4.6112 4.6115 5.0853 5.0855 5.4730 5.4730 5.8449 5.8449
6.3263 6.3263 6.3832 6.3832 6.5547 6.5547 8.6597 8.6597
9.3607 9.3607 10.4886 10.4887
k = 0.6793-0.0289 0.2606 ( 4547 PWs) bands (ev):
-8.3212 -8.3212 -6.9158 -6.9158 -6.8681 -6.8681 -1.3826 -1.3826
0.9370 0.9370 1.5657 1.5658 1.9588 1.9589 2.8518 2.8521
3.0686 3.0693 3.1188 3.1192 3.1868 3.1869 3.3294 3.3296
4.2968 4.2971 4.3811 4.3814 4.4709 4.4715 4.5186 4.5190
4.6111 4.6115 5.0642 5.0644 5.5117 5.5117 5.8364 5.8364
6.2983 6.2984 6.3730 6.3731 6.5861 6.5861 8.6299 8.6299
9.3579 9.3579 10.4584 10.4584
k = 0.6708-0.0139 0.2482 ( 4557 PWs) bands (ev):
-8.3261 -8.3261 -6.8964 -6.8964 -6.8825 -6.8824 -1.3793 -1.3793
0.9777 0.9777 1.5430 1.5431 1.9560 1.9560 2.8452 2.8456
3.0675 3.0681 3.1178 3.1183 3.1835 3.1837 3.3335 3.3336
4.2896 4.2899 4.3786 4.3789 4.4670 4.4675 4.5177 4.5181
4.6129 4.6133 5.0459 5.0461 5.5485 5.5485 5.8300 5.8300
6.2641 6.2641 6.3616 6.3617 6.6163 6.6163 8.6025 8.6025
9.3665 9.3665 10.4284 10.4285
k = 0.6622 0.0010 0.2358 ( 4561 PWs) bands (ev):
-8.3315 -8.3315 -6.8968 -6.8968 -6.8758 -6.8758 -1.3774 -1.3774
1.0205 1.0205 1.5236 1.5237 1.9530 1.9530 2.8367 2.8371
3.0642 3.0648 3.1159 3.1162 3.1806 3.1807 3.3374 3.3375
4.2799 4.2801 4.3778 4.3781 4.4634 4.4638 4.5167 4.5171
4.6164 4.6169 5.0304 5.0306 5.5820 5.5820 5.8257 5.8258
6.2296 6.2296 6.3444 6.3445 6.6454 6.6454 8.5779 8.5779
9.3863 9.3863 10.3990 10.3990
k = 0.6537 0.0160 0.2234 ( 4569 PWs) bands (ev):
-8.3375 -8.3375 -6.9103 -6.9103 -6.8548 -6.8548 -1.3769 -1.3769
1.0653 1.0653 1.5074 1.5074 1.9499 1.9499 2.8260 2.8263
3.0593 3.0598 3.1129 3.1132 3.1778 3.1779 3.3412 3.3414
4.2681 4.2683 4.3784 4.3788 4.4599 4.4603 4.5154 4.5158
4.6216 4.6221 5.0178 5.0179 5.6105 5.6105 5.8234 5.8234
6.1974 6.1974 6.3206 6.3206 6.6732 6.6732 8.5562 8.5562
9.4167 9.4167 10.3703 10.3703
k = 0.6452 0.0310 0.2110 ( 4561 PWs) bands (ev):
-8.3439 -8.3439 -6.9234 -6.9234 -6.8334 -6.8334 -1.3777 -1.3777
1.1118 1.1118 1.4943 1.4944 1.9467 1.9467 2.8129 2.8132
3.0531 3.0534 3.1089 3.1091 3.1753 3.1754 3.3450 3.3451
4.2553 4.2554 4.3799 4.3803 4.4565 4.4569 4.5140 4.5144
4.6286 4.6291 5.0081 5.0083 5.6318 5.6319 5.8229 5.8229
6.1699 6.1699 6.2904 6.2904 6.6998 6.6998 8.5376 8.5376
9.4572 9.4573 10.3424 10.3425
k = 0.6366 0.0459 0.1986 ( 4561 PWs) bands (ev):
-8.3505 -8.3505 -6.9361 -6.9361 -6.8118 -6.8118 -1.3799 -1.3799
1.1600 1.1600 1.4844 1.4844 1.9435 1.9436 2.7971 2.7973
3.0459 3.0462 3.1041 3.1042 3.1730 3.1731 3.3487 3.3488
4.2418 4.2419 4.3819 4.3822 4.4533 4.4537 4.5124 4.5128
4.6371 4.6377 5.0012 5.0014 5.6439 5.6439 5.8240 5.8240
6.1489 6.1490 6.2546 6.2546 6.7250 6.7250 8.5221 8.5221
9.5070 9.5071 10.3159 10.3159
k = 0.6281 0.0609 0.1862 ( 4561 PWs) bands (ev):
-8.3573 -8.3573 -6.9481 -6.9481 -6.7902 -6.7902 -1.3832 -1.3832
1.2095 1.2095 1.4774 1.4774 1.9404 1.9404 2.7784 2.7786
3.0381 3.0383 3.0986 3.0986 3.1709 3.1710 3.3523 3.3524
4.2283 4.2284 4.3840 4.3843 4.4502 4.4505 4.5107 4.5111
4.6473 4.6479 4.9971 4.9973 5.6449 5.6450 5.8263 5.8264
6.1358 6.1359 6.2147 6.2147 6.7488 6.7488 8.5098 8.5098
9.5653 9.5653 10.2910 10.2910
k = 0.6195 0.0759 0.1737 ( 4573 PWs) bands (ev):
-8.3641 -8.3641 -6.9596 -6.9596 -6.7687 -6.7687 -1.3875 -1.3875
1.2601 1.2601 1.4733 1.4733 1.9373 1.9373 2.7568 2.7570
3.0299 3.0300 3.0925 3.0926 3.1689 3.1690 3.3558 3.3559
4.2150 4.2151 4.3858 4.3861 4.4474 4.4476 4.5090 4.5093
4.6592 4.6598 4.9958 4.9961 5.6343 5.6344 5.8297 5.8297
6.1282 6.1283 6.1744 6.1744 6.7712 6.7712 8.5004 8.5004
9.6310 9.6310 10.2680 10.2680
k = 0.6110 0.0908 0.1613 ( 4573 PWs) bands (ev):
-8.3709 -8.3709 -6.9705 -6.9705 -6.7477 -6.7477 -1.3927 -1.3927
1.3113 1.3114 1.4721 1.4721 1.9343 1.9343 2.7321 2.7322
3.0215 3.0215 3.0862 3.0863 3.1672 3.1673 3.3593 3.3594
4.2021 4.2022 4.3873 4.3876 4.4449 4.4451 4.5072 4.5076
4.6728 4.6733 4.9973 4.9975 5.6130 5.6131 5.8339 5.8339
6.1058 6.1060 6.1540 6.1541 6.7921 6.7921 8.4939 8.4939
9.7032 9.7032 10.2470 10.2470
k = 0.6025 0.1058 0.1489 ( 4573 PWs) bands (ev):
-8.3775 -8.3775 -6.9806 -6.9806 -6.7272 -6.7272 -1.3986 -1.3986
1.3623 1.3624 1.4742 1.4743 1.9315 1.9315 2.7044 2.7045
3.0128 3.0130 3.0800 3.0801 3.1658 3.1658 3.3626 3.3626
4.1900 4.1901 4.3882 4.3884 4.4430 4.4431 4.5055 4.5059
4.6881 4.6887 5.0014 5.0016 5.5827 5.5828 5.8387 5.8387
6.0605 6.0606 6.1610 6.1610 6.8115 6.8115 8.4898 8.4898
9.7811 9.7811 10.2275 10.2276
k = 0.5939 0.1208 0.1365 ( 4570 PWs) bands (ev):
-8.3839 -8.3839 -6.9901 -6.9901 -6.7076 -6.7076 -1.4051 -1.4051
1.4103 1.4105 1.4817 1.4819 1.9289 1.9289 2.6739 2.6740
3.0041 3.0043 3.0739 3.0741 3.1644 3.1645 3.3657 3.3658
4.1786 4.1787 4.3884 4.3886 4.4417 4.4418 4.5040 4.5043
4.7052 4.7057 5.0080 5.0082 5.5457 5.5458 5.8440 5.8440
6.0095 6.0096 6.1764 6.1764 6.8294 6.8294 8.4880 8.4880
9.8635 9.8635 10.2096 10.2096
k = 0.5854 0.1357 0.1241 ( 4570 PWs) bands (ev):
-8.3900 -8.3900 -6.9989 -6.9989 -6.6890 -6.6890 -1.4119 -1.4119
1.4463 1.4466 1.5031 1.5034 1.9266 1.9266 2.6408 2.6408
2.9953 2.9955 3.0683 3.0685 3.1633 3.1634 3.3687 3.3688
4.1681 4.1682 4.3879 4.3881 4.4409 4.4410 4.5025 4.5028
4.7242 4.7246 5.0169 5.0172 5.5040 5.5041 5.8496 5.8496
5.9570 5.9571 6.1949 6.1950 6.8458 6.8458 8.4880 8.4880
9.9493 9.9494 10.1933 10.1934
k = 0.5769 0.1507 0.1117 ( 4580 PWs) bands (ev):
-8.3957 -8.3957 -7.0069 -7.0069 -6.6716 -6.6716 -1.4188 -1.4188
1.4636 1.4638 1.5445 1.5447 1.9246 1.9247 2.6052 2.6053
2.9865 2.9868 3.0632 3.0635 3.1623 3.1623 3.3715 3.3716
4.1585 4.1586 4.3868 4.3870 4.4407 4.4408 4.5011 4.5013
4.7449 4.7454 5.0280 5.0283 5.4593 5.4594 5.8548 5.8548
5.9049 5.9050 6.2146 6.2146 6.8605 6.8605 8.4895 8.4895
10.0365 10.0366 10.1800 10.1800
k = 0.5683 0.1656 0.0993 ( 4588 PWs) bands (ev):
-8.4010 -8.4010 -7.0142 -7.0142 -6.6555 -6.6555 -1.4256 -1.4256
1.4730 1.4732 1.5942 1.5944 1.9232 1.9233 2.5677 2.5678
2.9779 2.9782 3.0588 3.0590 3.1614 3.1614 3.3741 3.3742
4.1499 4.1500 4.3851 4.3853 4.4409 4.4411 4.4998 4.5000
4.7676 4.7680 5.0411 5.0413 5.4130 5.4130 5.8473 5.8475
5.8661 5.8662 6.2340 6.2340 6.8738 6.8738 8.4920 8.4920
10.1153 10.1154 10.1781 10.1782
k = 0.5598 0.1806 0.0869 ( 4590 PWs) bands (ev):
-8.4058 -8.4058 -7.0206 -7.0206 -6.6409 -6.6409 -1.4322 -1.4322
1.4803 1.4805 1.6453 1.6455 1.9225 1.9225 2.5287 2.5288
2.9697 2.9699 3.0550 3.0552 3.1607 3.1607 3.3765 3.3765
4.1423 4.1424 4.3832 4.3834 4.4416 4.4417 4.4986 4.4988
4.7922 4.7926 5.0556 5.0558 5.3660 5.3660 5.8003 5.8004
5.8685 5.8685 6.2523 6.2523 6.8854 6.8854 8.4952 8.4952
10.1372 10.1372 10.2340 10.2342
k = 0.5512 0.1956 0.0745 ( 4590 PWs) bands (ev):
-8.4101 -8.4101 -7.0262 -7.0262 -6.6279 -6.6279 -1.4383 -1.4383
1.4868 1.4870 1.6955 1.6956 1.9227 1.9228 2.4888 2.4888
2.9619 2.9622 3.0519 3.0521 3.1601 3.1601 3.3786 3.3787
4.1357 4.1357 4.3812 4.3813 4.4424 4.4425 4.4976 4.4978
4.8186 4.8190 5.0710 5.0713 5.3193 5.3194 5.7530 5.7531
5.8733 5.8734 6.2690 6.2690 6.8955 6.8955 8.4987 8.4987
10.1307 10.1307 10.2863 10.2864
k = 0.5427 0.2105 0.0621 ( 4598 PWs) bands (ev):
-8.4138 -8.4138 -7.0310 -7.0310 -6.6167 -6.6167 -1.4438 -1.4438
1.4927 1.4928 1.7428 1.7429 1.9245 1.9246 2.4488 2.4488
2.9550 2.9552 3.0493 3.0495 3.1596 3.1596 3.3805 3.3805
4.1301 4.1301 4.3792 4.3793 4.4431 4.4432 4.4967 4.4969
4.8468 4.8472 5.0862 5.0866 5.2741 5.2741 5.7089 5.7090
5.8779 5.8779 6.2835 6.2835 6.9040 6.9040 8.5022 8.5022
10.1225 10.1225 10.3077 10.3077
k = 0.5342 0.2255 0.0496 ( 4598 PWs) bands (ev):
-8.4168 -8.4168 -7.0349 -7.0349 -6.6074 -6.6074 -1.4485 -1.4485
1.4979 1.4979 1.7850 1.7851 1.9286 1.9287 2.4099 2.4099
2.9489 2.9491 3.0473 3.0475 3.1592 3.1592 3.3820 3.3820
4.1255 4.1255 4.3775 4.3776 4.4439 4.4440 4.4960 4.4961
4.8766 4.8770 5.0995 5.0999 5.2319 5.2320 5.6694 5.6695
5.8819 5.8819 6.2957 6.2957 6.9110 6.9110 8.5054 8.5054
10.1153 10.1153 10.3282 10.3282
k = 0.5256 0.2405 0.0372 ( 4606 PWs) bands (ev):
-8.4192 -8.4192 -7.0380 -7.0380 -6.6001 -6.6001 -1.4523 -1.4523
1.5021 1.5022 1.8192 1.8193 1.9363 1.9364 2.3739 2.3739
2.9440 2.9441 3.0458 3.0459 3.1589 3.1589 3.3832 3.3833
4.1219 4.1219 4.3759 4.3760 4.4445 4.4446 4.4954 4.4955
4.9075 4.9079 5.1067 5.1071 5.1966 5.1967 5.6360 5.6361
5.8852 5.8852 6.3054 6.3054 6.9164 6.9164 8.5082 8.5082
10.1094 10.1094 10.3476 10.3477
k = 0.5171 0.2554 0.0248 ( 4606 PWs) bands (ev):
-8.4210 -8.4210 -7.0402 -7.0402 -6.5948 -6.5948 -1.4551 -1.4551
1.5053 1.5053 1.8424 1.8425 1.9477 1.9478 2.3435 2.3435
2.9404 2.9404 3.0448 3.0449 3.1587 3.1587 3.3841 3.3841
4.1193 4.1193 4.3748 4.3749 4.4450 4.4450 4.4950 4.4951
4.9386 4.9389 5.0998 5.1003 5.1761 5.1763 5.6103 5.6104
5.8875 5.8875 6.3123 6.3123 6.9203 6.9203 8.5102 8.5102
10.1052 10.1052 10.3639 10.3639
k = 0.5085 0.2704 0.0124 ( 4604 PWs) bands (ev):
-8.4220 -8.4220 -7.0415 -7.0415 -6.5916 -6.5916 -1.4568 -1.4568
1.5073 1.5073 1.8548 1.8549 1.9588 1.9589 2.3225 2.3225
2.9381 2.9382 3.0442 3.0442 3.1586 3.1586 3.3847 3.3847
4.1178 4.1178 4.3741 4.3742 4.4453 4.4454 4.4948 4.4948
4.9663 4.9666 5.0802 5.0805 5.1711 5.1712 5.5940 5.5940
5.8890 5.8890 6.3165 6.3165 6.9226 6.9226 8.5115 8.5115
10.1026 10.1026 10.3748 10.3748
k = 0.5000 0.2853 0.0000 ( 4616 PWs) bands (ev):
-8.4223 -8.4223 -7.0420 -7.0420 -6.5905 -6.5905 -1.4574 -1.4574
1.5079 1.5079 1.8585 1.8585 1.9636 1.9636 2.3149 2.3149
2.9374 2.9374 3.0440 3.0440 3.1585 3.1585 3.3848 3.3848
4.1172 4.1172 4.3739 4.3739 4.4454 4.4454 4.4947 4.4947
4.9798 4.9798 5.0683 5.0683 5.1709 5.1709 5.5884 5.5884
5.8895 5.8895 6.3179 6.3179 6.9234 6.9234 8.5119 8.5119
10.1018 10.1018 10.3787 10.3787
Writing output data file Cu2GeSe3.save
init_run : 3.11s CPU 11.53s WALL ( 1 calls)
electrons : 904.43s CPU 911.70s WALL ( 1 calls)
Called by init_run:
wfcinit : 0.00s CPU 0.00s WALL ( 1 calls)
potinit : 0.42s CPU 1.56s WALL ( 1 calls)
Called by electrons:
c_bands : 904.33s CPU 911.11s WALL ( 1 calls)
v_of_rho : 0.04s CPU 0.94s WALL ( 1 calls)
v_h : 0.00s CPU 0.00s WALL ( 1 calls)
v_xc : 0.04s CPU 0.61s WALL ( 1 calls)
newd : 0.28s CPU 0.48s WALL ( 1 calls)
Called by c_bands:
init_us_2 : 0.01s CPU 0.13s WALL ( 358 calls)
cegterg : 845.98s CPU 850.60s WALL ( 747 calls)
Called by sum_band:
Called by *egterg:
h_psi : 538.72s CPU 545.83s WALL ( 10850 calls)
s_psi : 19.55s CPU 19.94s WALL ( 10850 calls)
g_psi : 0.71s CPU 0.74s WALL ( 9745 calls)
cdiaghg : 227.14s CPU 224.63s WALL ( 10103 calls)
cegterg:over : 54.51s CPU 52.23s WALL ( 9745 calls)
cegterg:upda : 12.22s CPU 15.12s WALL ( 9745 calls)
cegterg:last : 10.11s CPU 10.87s WALL ( 1885 calls)
Called by h_psi:
h_psi:vloc : 494.74s CPU 501.05s WALL ( 10850 calls)
h_psi:vnl : 43.65s CPU 44.04s WALL ( 10850 calls)
add_vuspsi : 13.10s CPU 16.17s WALL ( 10850 calls)
General routines
calbec : 30.51s CPU 27.72s WALL ( 10850 calls)
fft : 0.55s CPU 1.26s WALL ( 19 calls)
ffts : 0.09s CPU 0.09s WALL ( 4 calls)
fftw : 470.46s CPU 472.50s WALL ( 1233340 calls)
interpolate : 0.12s CPU 0.16s WALL ( 4 calls)
davcio : 0.03s CPU 1.27s WALL ( 716 calls)
Parallel routines
fft_scatter : 257.68s CPU 256.55s WALL ( 1233363 calls)
PWSCF : 16m 2.23s CPU 17m24.16s WALL
This run was terminated on: 7:51:46 12Oct2015
=------------------------------------------------------------------------------=
JOB DONE.
=------------------------------------------------------------------------------=