Program PWSCF v.5.1.1 starts on 12Oct2015 at 18:55: 8 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: ./InPS4.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 46 35 10 1087 708 108 Max 47 36 11 1089 724 110 Sum 2223 1685 487 52213 34343 5247 bravais-lattice index = 14 lattice parameter (alat) = 11.3888 a.u. unit-cell volume = 966.3512 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.388779 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.564739 celldm(5)= -0.564739 celldm(6)= 0.129479 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.129479 0.991582 0.000000 ) a(3) = ( -0.564739 -0.495791 0.659743 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.130578 0.757871 ) b(2) = ( 0.000000 1.008489 0.757871 ) b(3) = ( 0.000000 0.000000 1.515742 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 S 6.00 32.06500 S( 1.00) In 13.00 114.81800 In( 1.00) P 5.00 30.97380 P( 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= 293 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0000000 0.0000000 0.0189468), wk = 0.0034130 k( 3) = ( 0.0000000 0.0000000 0.0378935), wk = 0.0034130 k( 4) = ( 0.0000000 0.0000000 0.0568403), wk = 0.0034130 k( 5) = ( 0.0000000 0.0000000 0.0757871), wk = 0.0034130 k( 6) = ( 0.0000000 0.0000000 0.0947339), wk = 0.0034130 k( 7) = ( 0.0000000 0.0000000 0.1136806), wk = 0.0034130 k( 8) = ( 0.0000000 0.0000000 0.1326274), wk = 0.0034130 k( 9) = ( 0.0000000 0.0000000 0.1515742), wk = 0.0034130 k( 10) = ( 0.0000000 0.0000000 0.1705210), wk = 0.0034130 k( 11) = ( 0.0000000 0.0000000 0.1894677), wk = 0.0034130 k( 12) = ( 0.0000000 0.0000000 0.2084145), wk = 0.0034130 k( 13) = ( 0.0000000 0.0000000 0.2273613), wk = 0.0034130 k( 14) = ( 0.0000000 0.0000000 0.2463081), wk = 0.0034130 k( 15) = ( 0.0000000 0.0000000 0.2652548), wk = 0.0034130 k( 16) = ( 0.0000000 0.0000000 0.2842016), wk = 0.0034130 k( 17) = ( 0.0000000 0.0000000 0.3031484), wk = 0.0034130 k( 18) = ( 0.0000000 0.0000000 0.3220951), wk = 0.0034130 k( 19) = ( 0.0000000 0.0000000 0.3410419), wk = 0.0034130 k( 20) = ( 0.0000000 0.0000000 0.3599887), wk = 0.0034130 k( 21) = ( 0.0000000 0.0000000 0.3789355), wk = 0.0034130 k( 22) = ( 0.0000000 0.0000000 0.3978822), wk = 0.0034130 k( 23) = ( 0.0000000 0.0000000 0.4168290), wk = 0.0034130 k( 24) = ( 0.0000000 0.0000000 0.4357758), wk = 0.0034130 k( 25) = ( 0.0000000 0.0000000 0.4547226), wk = 0.0034130 k( 26) = ( 0.0000000 0.0000000 0.4736693), wk = 0.0034130 k( 27) = ( 0.0000000 0.0000000 0.4926161), wk = 0.0034130 k( 28) = ( 0.0000000 0.0000000 0.5115629), wk = 0.0034130 k( 29) = ( 0.0000000 0.0000000 0.5305097), wk = 0.0034130 k( 30) = ( 0.0000000 0.0000000 0.5494564), wk = 0.0034130 k( 31) = ( 0.0000000 0.0000000 0.5684032), wk = 0.0034130 k( 32) = ( 0.0000000 0.0000000 0.5873500), wk = 0.0034130 k( 33) = ( 0.0000000 0.0000000 0.6062967), wk = 0.0034130 k( 34) = ( 0.0000000 0.0000000 0.6252435), wk = 0.0034130 k( 35) = ( 0.0000000 0.0000000 0.6441903), wk = 0.0034130 k( 36) = ( 0.0000000 0.0000000 0.6631371), wk = 0.0034130 k( 37) = ( 0.0000000 0.0000000 0.6820838), wk = 0.0034130 k( 38) = ( 0.0000000 0.0000000 0.7010306), wk = 0.0034130 k( 39) = ( 0.0000000 0.0000000 0.7199774), wk = 0.0034130 k( 40) = ( 0.0000000 0.0000000 0.7389242), wk = 0.0034130 k( 41) = ( 0.0000000 0.0000000 0.7578709), wk = 0.0034130 k( 42) = ( 0.0000000 0.0000000 0.7578709), wk = 0.0034130 k( 43) = ( -0.0120426 0.0137174 0.7578709), wk = 0.0034130 k( 44) = ( -0.0240853 0.0274347 0.7578709), wk = 0.0034130 k( 45) = ( -0.0361279 0.0411521 0.7578709), wk = 0.0034130 k( 46) = ( -0.0481705 0.0548695 0.7578709), wk = 0.0034130 k( 47) = ( -0.0602132 0.0685868 0.7578709), wk = 0.0034130 k( 48) = ( -0.0722558 0.0823042 0.7578709), wk = 0.0034130 k( 49) = ( -0.0842984 0.0960216 0.7578709), wk = 0.0034130 k( 50) = ( -0.0963411 0.1097389 0.7578709), wk = 0.0034130 k( 51) = ( -0.1083837 0.1234563 0.7578709), wk = 0.0034130 k( 52) = ( -0.1204264 0.1371737 0.7578709), wk = 0.0034130 k( 53) = ( -0.1324690 0.1508910 0.7578709), wk = 0.0034130 k( 54) = ( -0.1445116 0.1646084 0.7578709), wk = 0.0034130 k( 55) = ( -0.1565543 0.1783258 0.7578709), wk = 0.0034130 k( 56) = ( -0.1685969 0.1920431 0.7578709), wk = 0.0034130 k( 57) = ( -0.1806395 0.2057605 0.7578709), wk = 0.0034130 k( 58) = ( -0.1926822 0.2194779 0.7578709), wk = 0.0034130 k( 59) = ( -0.1926822 0.2194779 0.7578709), wk = 0.0034130 k( 60) = ( -0.2012188 0.2292017 0.7449316), wk = 0.0034130 k( 61) = ( -0.2097554 0.2389254 0.7319924), wk = 0.0034130 k( 62) = ( -0.2182920 0.2486492 0.7190531), wk = 0.0034130 k( 63) = ( -0.2268286 0.2583730 0.7061138), wk = 0.0034130 k( 64) = ( -0.2353652 0.2680967 0.6931745), wk = 0.0034130 k( 65) = ( -0.2439018 0.2778205 0.6802352), wk = 0.0034130 k( 66) = ( -0.2524384 0.2875443 0.6672959), wk = 0.0034130 k( 67) = ( -0.2609750 0.2972680 0.6543566), wk = 0.0034130 k( 68) = ( -0.2695116 0.3069918 0.6414173), wk = 0.0034130 k( 69) = ( -0.2780482 0.3167155 0.6284780), wk = 0.0034130 k( 70) = ( -0.2865848 0.3264393 0.6155387), wk = 0.0034130 k( 71) = ( -0.2951215 0.3361631 0.6025994), wk = 0.0034130 k( 72) = ( -0.3036581 0.3458868 0.5896601), wk = 0.0034130 k( 73) = ( -0.3121947 0.3556106 0.5767209), wk = 0.0034130 k( 74) = ( -0.3207313 0.3653344 0.5637816), wk = 0.0034130 k( 75) = ( -0.3292679 0.3750581 0.5508423), wk = 0.0034130 k( 76) = ( -0.3378045 0.3847819 0.5379030), wk = 0.0034130 k( 77) = ( -0.3463411 0.3945057 0.5249637), wk = 0.0034130 k( 78) = ( -0.3463411 0.3945057 0.5249637), wk = 0.0034130 k( 79) = ( -0.3374606 0.3843901 0.5115031), wk = 0.0034130 k( 80) = ( -0.3285800 0.3742746 0.4980425), wk = 0.0034130 k( 81) = ( -0.3196995 0.3641591 0.4845819), wk = 0.0034130 k( 82) = ( -0.3108189 0.3540435 0.4711213), wk = 0.0034130 k( 83) = ( -0.3019384 0.3439280 0.4576606), wk = 0.0034130 k( 84) = ( -0.2930578 0.3338125 0.4442000), wk = 0.0034130 k( 85) = ( -0.2841773 0.3236970 0.4307394), wk = 0.0034130 k( 86) = ( -0.2752968 0.3135814 0.4172788), wk = 0.0034130 k( 87) = ( -0.2664162 0.3034659 0.4038182), wk = 0.0034130 k( 88) = ( -0.2575357 0.2933504 0.3903576), wk = 0.0034130 k( 89) = ( -0.2486551 0.2832348 0.3768970), wk = 0.0034130 k( 90) = ( -0.2397746 0.2731193 0.3634364), wk = 0.0034130 k( 91) = ( -0.2308941 0.2630038 0.3499758), wk = 0.0034130 k( 92) = ( -0.2220135 0.2528883 0.3365152), wk = 0.0034130 k( 93) = ( -0.2131330 0.2427727 0.3230546), wk = 0.0034130 k( 94) = ( -0.2042524 0.2326572 0.3095940), wk = 0.0034130 k( 95) = ( -0.1953719 0.2225417 0.2961334), wk = 0.0034130 k( 96) = ( -0.1864914 0.2124261 0.2826727), wk = 0.0034130 k( 97) = ( -0.1776108 0.2023106 0.2692121), wk = 0.0034130 k( 98) = ( -0.1687303 0.1921951 0.2557515), wk = 0.0034130 k( 99) = ( -0.1598497 0.1820795 0.2422909), wk = 0.0034130 k( 100) = ( -0.1509692 0.1719640 0.2288303), wk = 0.0034130 k( 101) = ( -0.1420887 0.1618485 0.2153697), wk = 0.0034130 k( 102) = ( -0.1332081 0.1517329 0.2019091), wk = 0.0034130 k( 103) = ( -0.1243276 0.1416174 0.1884485), wk = 0.0034130 k( 104) = ( -0.1154470 0.1315019 0.1749879), wk = 0.0034130 k( 105) = ( -0.1065665 0.1213864 0.1615273), wk = 0.0034130 k( 106) = ( -0.0976859 0.1112708 0.1480667), wk = 0.0034130 k( 107) = ( -0.0888054 0.1011553 0.1346061), wk = 0.0034130 k( 108) = ( -0.0799249 0.0910398 0.1211455), wk = 0.0034130 k( 109) = ( -0.0710443 0.0809242 0.1076849), wk = 0.0034130 k( 110) = ( -0.0621638 0.0708087 0.0942242), wk = 0.0034130 k( 111) = ( -0.0532832 0.0606932 0.0807636), wk = 0.0034130 k( 112) = ( -0.0444027 0.0505776 0.0673030), wk = 0.0034130 k( 113) = ( -0.0355222 0.0404621 0.0538424), wk = 0.0034130 k( 114) = ( -0.0266416 0.0303466 0.0403818), wk = 0.0034130 k( 115) = ( -0.0177611 0.0202311 0.0269212), wk = 0.0034130 k( 116) = ( -0.0088805 0.0101155 0.0134606), wk = 0.0034130 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 119) = ( 0.0142857 0.0125416 -0.0000000), wk = 0.0034130 k( 120) = ( 0.0285714 0.0250832 0.0000000), wk = 0.0034130 k( 121) = ( 0.0428571 0.0376248 0.0000000), wk = 0.0034130 k( 122) = ( 0.0571429 0.0501664 0.0000000), wk = 0.0034130 k( 123) = ( 0.0714286 0.0627080 0.0000000), wk = 0.0034130 k( 124) = ( 0.0857143 0.0752496 0.0000000), wk = 0.0034130 k( 125) = ( 0.1000000 0.0877912 0.0000000), wk = 0.0034130 k( 126) = ( 0.1142857 0.1003327 0.0000000), wk = 0.0034130 k( 127) = ( 0.1285714 0.1128743 0.0000000), wk = 0.0034130 k( 128) = ( 0.1428571 0.1254159 0.0000000), wk = 0.0034130 k( 129) = ( 0.1571429 0.1379575 0.0000000), wk = 0.0034130 k( 130) = ( 0.1714286 0.1504991 0.0000000), wk = 0.0034130 k( 131) = ( 0.1857143 0.1630407 0.0000000), wk = 0.0034130 k( 132) = ( 0.2000000 0.1755823 0.0000000), wk = 0.0034130 k( 133) = ( 0.2142857 0.1881239 0.0000000), wk = 0.0034130 k( 134) = ( 0.2285714 0.2006655 0.0000000), wk = 0.0034130 k( 135) = ( 0.2428571 0.2132071 0.0000000), wk = 0.0034130 k( 136) = ( 0.2571429 0.2257487 0.0000000), wk = 0.0034130 k( 137) = ( 0.2714286 0.2382903 0.0000000), wk = 0.0034130 k( 138) = ( 0.2857143 0.2508319 0.0000000), wk = 0.0034130 k( 139) = ( 0.3000000 0.2633735 0.0000000), wk = 0.0034130 k( 140) = ( 0.3142857 0.2759151 0.0000000), wk = 0.0034130 k( 141) = ( 0.3285714 0.2884567 0.0000000), wk = 0.0034130 k( 142) = ( 0.3428571 0.3009982 0.0000000), wk = 0.0034130 k( 143) = ( 0.3571429 0.3135398 0.0000000), wk = 0.0034130 k( 144) = ( 0.3714286 0.3260814 0.0000000), wk = 0.0034130 k( 145) = ( 0.3857143 0.3386230 0.0000000), wk = 0.0034130 k( 146) = ( 0.4000000 0.3511646 0.0000000), wk = 0.0034130 k( 147) = ( 0.4142857 0.3637062 0.0000000), wk = 0.0034130 k( 148) = ( 0.4285714 0.3762478 -0.0000000), wk = 0.0034130 k( 149) = ( 0.4428571 0.3887894 0.0000000), wk = 0.0034130 k( 150) = ( 0.4571429 0.4013310 0.0000000), wk = 0.0034130 k( 151) = ( 0.4714286 0.4138726 -0.0000000), wk = 0.0034130 k( 152) = ( 0.4857143 0.4264142 0.0000000), wk = 0.0034130 k( 153) = ( 0.5000000 0.4389558 0.0000000), wk = 0.0034130 k( 154) = ( 0.5000000 0.4389558 0.0000000), wk = 0.0034130 k( 155) = ( 0.4914634 0.4486795 0.0129393), wk = 0.0034130 k( 156) = ( 0.4829268 0.4584033 0.0258786), wk = 0.0034130 k( 157) = ( 0.4743902 0.4681271 0.0388179), wk = 0.0034130 k( 158) = ( 0.4658536 0.4778508 0.0517572), wk = 0.0034130 k( 159) = ( 0.4573170 0.4875746 0.0646965), wk = 0.0034130 k( 160) = ( 0.4487804 0.4972984 0.0776358), wk = 0.0034130 k( 161) = ( 0.4402438 0.5070221 0.0905750), wk = 0.0034130 k( 162) = ( 0.4317071 0.5167459 0.1035143), wk = 0.0034130 k( 163) = ( 0.4231705 0.5264697 0.1164536), wk = 0.0034130 k( 164) = ( 0.4146339 0.5361934 0.1293929), wk = 0.0034130 k( 165) = ( 0.4060973 0.5459172 0.1423322), wk = 0.0034130 k( 166) = ( 0.3975607 0.5556410 0.1552715), wk = 0.0034130 k( 167) = ( 0.3890241 0.5653647 0.1682108), wk = 0.0034130 k( 168) = ( 0.3804875 0.5750885 0.1811501), wk = 0.0034130 k( 169) = ( 0.3719509 0.5848123 0.1940894), wk = 0.0034130 k( 170) = ( 0.3634143 0.5945360 0.2070287), wk = 0.0034130 k( 171) = ( 0.3548777 0.6042598 0.2199680), wk = 0.0034130 k( 172) = ( 0.3463411 0.6139836 0.2329072), wk = 0.0034130 k( 173) = ( 0.3463411 0.6139836 0.2329072), wk = 0.0034130 k( 174) = ( 0.3298487 0.6087579 0.2398610), wk = 0.0034130 k( 175) = ( 0.3133562 0.6035322 0.2468147), wk = 0.0034130 k( 176) = ( 0.2968638 0.5983066 0.2537684), wk = 0.0034130 k( 177) = ( 0.2803714 0.5930809 0.2607221), wk = 0.0034130 k( 178) = ( 0.2638789 0.5878552 0.2676759), wk = 0.0034130 k( 179) = ( 0.2473865 0.5826296 0.2746296), wk = 0.0034130 k( 180) = ( 0.2308941 0.5774039 0.2815833), wk = 0.0034130 k( 181) = ( 0.2144016 0.5721782 0.2885370), wk = 0.0034130 k( 182) = ( 0.1979092 0.5669526 0.2954908), wk = 0.0034130 k( 183) = ( 0.1814168 0.5617269 0.3024445), wk = 0.0034130 k( 184) = ( 0.1649243 0.5565013 0.3093982), wk = 0.0034130 k( 185) = ( 0.1484319 0.5512756 0.3163519), wk = 0.0034130 k( 186) = ( 0.1319395 0.5460499 0.3233057), wk = 0.0034130 k( 187) = ( 0.1154470 0.5408243 0.3302594), wk = 0.0034130 k( 188) = ( 0.0989546 0.5355986 0.3372131), wk = 0.0034130 k( 189) = ( 0.0824622 0.5303729 0.3441669), wk = 0.0034130 k( 190) = ( 0.0659697 0.5251473 0.3511206), wk = 0.0034130 k( 191) = ( 0.0494773 0.5199216 0.3580743), wk = 0.0034130 k( 192) = ( 0.0329849 0.5146959 0.3650280), wk = 0.0034130 k( 193) = ( 0.0164924 0.5094703 0.3719817), wk = 0.0034130 k( 194) = ( 0.0000000 0.5042446 0.3789355), wk = 0.0034130 k( 195) = ( 0.0000000 0.5042446 0.3789355), wk = 0.0034130 k( 196) = ( 0.0089286 0.4940744 0.3924689), wk = 0.0034130 k( 197) = ( 0.0178571 0.4839041 0.4060023), wk = 0.0034130 k( 198) = ( 0.0267857 0.4737339 0.4195357), wk = 0.0034130 k( 199) = ( 0.0357143 0.4635636 0.4330691), wk = 0.0034130 k( 200) = ( 0.0446429 0.4533934 0.4466025), wk = 0.0034130 k( 201) = ( 0.0535714 0.4432232 0.4601359), wk = 0.0034130 k( 202) = ( 0.0625000 0.4330529 0.4736693), wk = 0.0034130 k( 203) = ( 0.0714286 0.4228827 0.4872027), wk = 0.0034130 k( 204) = ( 0.0803571 0.4127125 0.5007361), wk = 0.0034130 k( 205) = ( 0.0892857 0.4025422 0.5142696), wk = 0.0034130 k( 206) = ( 0.0982143 0.3923720 0.5278030), wk = 0.0034130 k( 207) = ( 0.1071429 0.3822017 0.5413364), wk = 0.0034130 k( 208) = ( 0.1160714 0.3720315 0.5548698), wk = 0.0034130 k( 209) = ( 0.1250000 0.3618613 0.5684032), wk = 0.0034130 k( 210) = ( 0.1339286 0.3516910 0.5819366), wk = 0.0034130 k( 211) = ( 0.1428571 0.3415208 0.5954700), wk = 0.0034130 k( 212) = ( 0.1517857 0.3313505 0.6090034), wk = 0.0034130 k( 213) = ( 0.1607143 0.3211803 0.6225368), wk = 0.0034130 k( 214) = ( 0.1696429 0.3110100 0.6360703), wk = 0.0034130 k( 215) = ( 0.1785714 0.3008398 0.6496037), wk = 0.0034130 k( 216) = ( 0.1875000 0.2906696 0.6631371), wk = 0.0034130 k( 217) = ( 0.1964286 0.2804993 0.6766705), wk = 0.0034130 k( 218) = ( 0.2053571 0.2703291 0.6902039), wk = 0.0034130 k( 219) = ( 0.2142857 0.2601589 0.7037373), wk = 0.0034130 k( 220) = ( 0.2232143 0.2499886 0.7172707), wk = 0.0034130 k( 221) = ( 0.2321429 0.2398184 0.7308041), wk = 0.0034130 k( 222) = ( 0.2410714 0.2296481 0.7443375), wk = 0.0034130 k( 223) = ( 0.2500000 0.2194779 0.7578709), wk = 0.0034130 k( 224) = ( 0.2500000 0.2194779 0.7578709), wk = 0.0034130 k( 225) = ( 0.2604167 0.2286228 0.7457019), wk = 0.0034130 k( 226) = ( 0.2708333 0.2377677 0.7335329), wk = 0.0034130 k( 227) = ( 0.2812500 0.2469126 0.7213639), wk = 0.0034130 k( 228) = ( 0.2916667 0.2560575 0.7091949), wk = 0.0034130 k( 229) = ( 0.3020833 0.2652024 0.6970258), wk = 0.0034130 k( 230) = ( 0.3125000 0.2743474 0.6848568), wk = 0.0034130 k( 231) = ( 0.3229167 0.2834923 0.6726878), wk = 0.0034130 k( 232) = ( 0.3333333 0.2926372 0.6605188), wk = 0.0034130 k( 233) = ( 0.3437500 0.3017821 0.6483498), wk = 0.0034130 k( 234) = ( 0.3541667 0.3109270 0.6361808), wk = 0.0034130 k( 235) = ( 0.3645833 0.3200719 0.6240117), wk = 0.0034130 k( 236) = ( 0.3750000 0.3292168 0.6118427), wk = 0.0034130 k( 237) = ( 0.3854167 0.3383617 0.5996737), wk = 0.0034130 k( 238) = ( 0.3958333 0.3475067 0.5875047), wk = 0.0034130 k( 239) = ( 0.4062500 0.3566516 0.5753357), wk = 0.0034130 k( 240) = ( 0.4166667 0.3657965 0.5631666), wk = 0.0034130 k( 241) = ( 0.4270833 0.3749414 0.5509976), wk = 0.0034130 k( 242) = ( 0.4375000 0.3840863 0.5388286), wk = 0.0034130 k( 243) = ( 0.4479167 0.3932312 0.5266596), wk = 0.0034130 k( 244) = ( 0.4583333 0.4023761 0.5144906), wk = 0.0034130 k( 245) = ( 0.4687500 0.4115210 0.5023216), wk = 0.0034130 k( 246) = ( 0.4791667 0.4206660 0.4901525), wk = 0.0034130 k( 247) = ( 0.4895833 0.4298109 0.4779835), wk = 0.0034130 k( 248) = ( 0.5000000 0.4389558 0.4658145), wk = 0.0034130 k( 249) = ( 0.5000000 0.4389558 0.4658145), wk = 0.0034130 k( 250) = ( 0.5000000 0.4389558 0.4471819), wk = 0.0034130 k( 251) = ( 0.5000000 0.4389558 0.4285493), wk = 0.0034130 k( 252) = ( 0.5000000 0.4389558 0.4099168), wk = 0.0034130 k( 253) = ( 0.5000000 0.4389558 0.3912842), wk = 0.0034130 k( 254) = ( 0.5000000 0.4389558 0.3726516), wk = 0.0034130 k( 255) = ( 0.5000000 0.4389558 0.3540190), wk = 0.0034130 k( 256) = ( 0.5000000 0.4389558 0.3353864), wk = 0.0034130 k( 257) = ( 0.5000000 0.4389558 0.3167539), wk = 0.0034130 k( 258) = ( 0.5000000 0.4389558 0.2981213), wk = 0.0034130 k( 259) = ( 0.5000000 0.4389558 0.2794887), wk = 0.0034130 k( 260) = ( 0.5000000 0.4389558 0.2608561), wk = 0.0034130 k( 261) = ( 0.5000000 0.4389558 0.2422235), wk = 0.0034130 k( 262) = ( 0.5000000 0.4389558 0.2235910), wk = 0.0034130 k( 263) = ( 0.5000000 0.4389558 0.2049584), wk = 0.0034130 k( 264) = ( 0.5000000 0.4389558 0.1863258), wk = 0.0034130 k( 265) = ( 0.5000000 0.4389558 0.1676932), wk = 0.0034130 k( 266) = ( 0.5000000 0.4389558 0.1490606), wk = 0.0034130 k( 267) = ( 0.5000000 0.4389558 0.1304281), wk = 0.0034130 k( 268) = ( 0.5000000 0.4389558 0.1117955), wk = 0.0034130 k( 269) = ( 0.5000000 0.4389558 0.0931629), wk = 0.0034130 k( 270) = ( 0.5000000 0.4389558 0.0745303), wk = 0.0034130 k( 271) = ( 0.5000000 0.4389558 0.0558977), wk = 0.0034130 k( 272) = ( 0.5000000 0.4389558 0.0372652), wk = 0.0034130 k( 273) = ( 0.5000000 0.4389558 0.0186326), wk = 0.0034130 k( 274) = ( 0.5000000 0.4389558 0.0000000), wk = 0.0034130 k( 275) = ( 0.0000000 0.0000000 0.7578709), wk = 0.0034130 k( 276) = ( 0.0138889 0.0121932 0.7578709), wk = 0.0034130 k( 277) = ( 0.0277778 0.0243864 0.7578709), wk = 0.0034130 k( 278) = ( 0.0416667 0.0365797 0.7578709), wk = 0.0034130 k( 279) = ( 0.0555556 0.0487729 0.7578709), wk = 0.0034130 k( 280) = ( 0.0694444 0.0609661 0.7578709), wk = 0.0034130 k( 281) = ( 0.0833333 0.0731593 0.7578709), wk = 0.0034130 k( 282) = ( 0.0972222 0.0853525 0.7578709), wk = 0.0034130 k( 283) = ( 0.1111111 0.0975457 0.7578709), wk = 0.0034130 k( 284) = ( 0.1250000 0.1097389 0.7578709), wk = 0.0034130 k( 285) = ( 0.1388889 0.1219322 0.7578709), wk = 0.0034130 k( 286) = ( 0.1527778 0.1341254 0.7578709), wk = 0.0034130 k( 287) = ( 0.1666667 0.1463186 0.7578709), wk = 0.0034130 k( 288) = ( 0.1805556 0.1585118 0.7578709), wk = 0.0034130 k( 289) = ( 0.1944444 0.1707050 0.7578709), wk = 0.0034130 k( 290) = ( 0.2083333 0.1828982 0.7578709), wk = 0.0034130 k( 291) = ( 0.2222222 0.1950915 0.7578709), wk = 0.0034130 k( 292) = ( 0.2361111 0.2072847 0.7578709), wk = 0.0034130 k( 293) = ( 0.2500000 0.2194779 0.7578709), wk = 0.0034130 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0034130 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0034130 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0034130 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0034130 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0034130 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0034130 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0034130 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0034130 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0034130 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0034130 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0034130 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0034130 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0034130 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0034130 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0034130 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0034130 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0034130 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0034130 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0034130 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034130 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0034130 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0034130 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0034130 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0034130 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0034130 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0034130 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0034130 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0034130 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0034130 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0034130 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0034130 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0034130 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0034130 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0034130 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0034130 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0034130 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0034130 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0034130 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0034130 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 43) = ( -0.0120426 0.0120426 0.5000000), wk = 0.0034130 k( 44) = ( -0.0240853 0.0240853 0.5000000), wk = 0.0034130 k( 45) = ( -0.0361279 0.0361279 0.5000000), wk = 0.0034130 k( 46) = ( -0.0481705 0.0481705 0.5000000), wk = 0.0034130 k( 47) = ( -0.0602132 0.0602132 0.5000000), wk = 0.0034130 k( 48) = ( -0.0722558 0.0722558 0.5000000), wk = 0.0034130 k( 49) = ( -0.0842984 0.0842984 0.5000000), wk = 0.0034130 k( 50) = ( -0.0963411 0.0963411 0.5000000), wk = 0.0034130 k( 51) = ( -0.1083837 0.1083837 0.5000000), wk = 0.0034130 k( 52) = ( -0.1204264 0.1204264 0.5000000), wk = 0.0034130 k( 53) = ( -0.1324690 0.1324690 0.5000000), wk = 0.0034130 k( 54) = ( -0.1445116 0.1445116 0.5000000), wk = 0.0034130 k( 55) = ( -0.1565543 0.1565543 0.5000000), wk = 0.0034130 k( 56) = ( -0.1685969 0.1685969 0.5000000), wk = 0.0034130 k( 57) = ( -0.1806395 0.1806395 0.5000000), wk = 0.0034130 k( 58) = ( -0.1926822 0.1926822 0.5000000), wk = 0.0034130 k( 59) = ( -0.1926822 0.1926822 0.5000000), wk = 0.0034130 k( 60) = ( -0.2012188 0.2012188 0.4914634), wk = 0.0034130 k( 61) = ( -0.2097554 0.2097554 0.4829268), wk = 0.0034130 k( 62) = ( -0.2182920 0.2182920 0.4743902), wk = 0.0034130 k( 63) = ( -0.2268286 0.2268286 0.4658536), wk = 0.0034130 k( 64) = ( -0.2353652 0.2353652 0.4573170), wk = 0.0034130 k( 65) = ( -0.2439018 0.2439018 0.4487804), wk = 0.0034130 k( 66) = ( -0.2524384 0.2524384 0.4402438), wk = 0.0034130 k( 67) = ( -0.2609750 0.2609750 0.4317071), wk = 0.0034130 k( 68) = ( -0.2695116 0.2695116 0.4231705), wk = 0.0034130 k( 69) = ( -0.2780482 0.2780482 0.4146339), wk = 0.0034130 k( 70) = ( -0.2865848 0.2865848 0.4060973), wk = 0.0034130 k( 71) = ( -0.2951215 0.2951214 0.3975607), wk = 0.0034130 k( 72) = ( -0.3036581 0.3036581 0.3890241), wk = 0.0034130 k( 73) = ( -0.3121947 0.3121947 0.3804875), wk = 0.0034130 k( 74) = ( -0.3207313 0.3207313 0.3719509), wk = 0.0034130 k( 75) = ( -0.3292679 0.3292679 0.3634143), wk = 0.0034130 k( 76) = ( -0.3378045 0.3378045 0.3548777), wk = 0.0034130 k( 77) = ( -0.3463411 0.3463411 0.3463411), wk = 0.0034130 k( 78) = ( -0.3463411 0.3463411 0.3463411), wk = 0.0034130 k( 79) = ( -0.3374606 0.3374606 0.3374605), wk = 0.0034130 k( 80) = ( -0.3285800 0.3285800 0.3285800), wk = 0.0034130 k( 81) = ( -0.3196995 0.3196995 0.3196995), wk = 0.0034130 k( 82) = ( -0.3108189 0.3108189 0.3108189), wk = 0.0034130 k( 83) = ( -0.3019384 0.3019384 0.3019384), wk = 0.0034130 k( 84) = ( -0.2930578 0.2930578 0.2930578), wk = 0.0034130 k( 85) = ( -0.2841773 0.2841773 0.2841773), wk = 0.0034130 k( 86) = ( -0.2752968 0.2752968 0.2752968), wk = 0.0034130 k( 87) = ( -0.2664162 0.2664162 0.2664162), wk = 0.0034130 k( 88) = ( -0.2575357 0.2575357 0.2575357), wk = 0.0034130 k( 89) = ( -0.2486551 0.2486551 0.2486551), wk = 0.0034130 k( 90) = ( -0.2397746 0.2397746 0.2397746), wk = 0.0034130 k( 91) = ( -0.2308941 0.2308941 0.2308941), wk = 0.0034130 k( 92) = ( -0.2220135 0.2220135 0.2220135), wk = 0.0034130 k( 93) = ( -0.2131330 0.2131330 0.2131330), wk = 0.0034130 k( 94) = ( -0.2042524 0.2042524 0.2042524), wk = 0.0034130 k( 95) = ( -0.1953719 0.1953719 0.1953719), wk = 0.0034130 k( 96) = ( -0.1864914 0.1864914 0.1864913), wk = 0.0034130 k( 97) = ( -0.1776108 0.1776108 0.1776108), wk = 0.0034130 k( 98) = ( -0.1687303 0.1687303 0.1687303), wk = 0.0034130 k( 99) = ( -0.1598497 0.1598497 0.1598497), wk = 0.0034130 k( 100) = ( -0.1509692 0.1509692 0.1509692), wk = 0.0034130 k( 101) = ( -0.1420887 0.1420887 0.1420886), wk = 0.0034130 k( 102) = ( -0.1332081 0.1332081 0.1332081), wk = 0.0034130 k( 103) = ( -0.1243276 0.1243276 0.1243276), wk = 0.0034130 k( 104) = ( -0.1154470 0.1154470 0.1154470), wk = 0.0034130 k( 105) = ( -0.1065665 0.1065665 0.1065665), wk = 0.0034130 k( 106) = ( -0.0976859 0.0976859 0.0976859), wk = 0.0034130 k( 107) = ( -0.0888054 0.0888054 0.0888054), wk = 0.0034130 k( 108) = ( -0.0799249 0.0799249 0.0799249), wk = 0.0034130 k( 109) = ( -0.0710443 0.0710443 0.0710443), wk = 0.0034130 k( 110) = ( -0.0621638 0.0621638 0.0621638), wk = 0.0034130 k( 111) = ( -0.0532832 0.0532832 0.0532832), wk = 0.0034130 k( 112) = ( -0.0444027 0.0444027 0.0444027), wk = 0.0034130 k( 113) = ( -0.0355222 0.0355222 0.0355222), wk = 0.0034130 k( 114) = ( -0.0266416 0.0266416 0.0266416), wk = 0.0034130 k( 115) = ( -0.0177611 0.0177611 0.0177611), wk = 0.0034130 k( 116) = ( -0.0088805 0.0088805 0.0088805), wk = 0.0034130 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 119) = ( 0.0142857 0.0142857 -0.0142857), wk = 0.0034130 k( 120) = ( 0.0285714 0.0285714 -0.0285714), wk = 0.0034130 k( 121) = ( 0.0428571 0.0428571 -0.0428571), wk = 0.0034130 k( 122) = ( 0.0571429 0.0571429 -0.0571429), wk = 0.0034130 k( 123) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0034130 k( 124) = ( 0.0857143 0.0857143 -0.0857143), wk = 0.0034130 k( 125) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0034130 k( 126) = ( 0.1142857 0.1142857 -0.1142857), wk = 0.0034130 k( 127) = ( 0.1285714 0.1285714 -0.1285714), wk = 0.0034130 k( 128) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0034130 k( 129) = ( 0.1571429 0.1571429 -0.1571429), wk = 0.0034130 k( 130) = ( 0.1714286 0.1714286 -0.1714286), wk = 0.0034130 k( 131) = ( 0.1857143 0.1857143 -0.1857143), wk = 0.0034130 k( 132) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0034130 k( 133) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0034130 k( 134) = ( 0.2285714 0.2285714 -0.2285714), wk = 0.0034130 k( 135) = ( 0.2428571 0.2428571 -0.2428571), wk = 0.0034130 k( 136) = ( 0.2571429 0.2571429 -0.2571429), wk = 0.0034130 k( 137) = ( 0.2714286 0.2714286 -0.2714286), wk = 0.0034130 k( 138) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0034130 k( 139) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0034130 k( 140) = ( 0.3142857 0.3142857 -0.3142857), wk = 0.0034130 k( 141) = ( 0.3285714 0.3285714 -0.3285714), wk = 0.0034130 k( 142) = ( 0.3428571 0.3428571 -0.3428571), wk = 0.0034130 k( 143) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0034130 k( 144) = ( 0.3714286 0.3714286 -0.3714286), wk = 0.0034130 k( 145) = ( 0.3857143 0.3857143 -0.3857143), wk = 0.0034130 k( 146) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0034130 k( 147) = ( 0.4142857 0.4142857 -0.4142857), wk = 0.0034130 k( 148) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0034130 k( 149) = ( 0.4428571 0.4428571 -0.4428571), wk = 0.0034130 k( 150) = ( 0.4571429 0.4571429 -0.4571429), wk = 0.0034130 k( 151) = ( 0.4714286 0.4714286 -0.4714286), wk = 0.0034130 k( 152) = ( 0.4857143 0.4857143 -0.4857143), wk = 0.0034130 k( 153) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034130 k( 154) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034130 k( 155) = ( 0.4914634 0.5085366 -0.4914634), wk = 0.0034130 k( 156) = ( 0.4829268 0.5170732 -0.4829268), wk = 0.0034130 k( 157) = ( 0.4743902 0.5256098 -0.4743902), wk = 0.0034130 k( 158) = ( 0.4658536 0.5341464 -0.4658536), wk = 0.0034130 k( 159) = ( 0.4573170 0.5426830 -0.4573170), wk = 0.0034130 k( 160) = ( 0.4487804 0.5512196 -0.4487804), wk = 0.0034130 k( 161) = ( 0.4402438 0.5597562 -0.4402438), wk = 0.0034130 k( 162) = ( 0.4317071 0.5682928 -0.4317071), wk = 0.0034130 k( 163) = ( 0.4231705 0.5768295 -0.4231705), wk = 0.0034130 k( 164) = ( 0.4146339 0.5853661 -0.4146339), wk = 0.0034130 k( 165) = ( 0.4060973 0.5939027 -0.4060973), wk = 0.0034130 k( 166) = ( 0.3975607 0.6024393 -0.3975607), wk = 0.0034130 k( 167) = ( 0.3890241 0.6109759 -0.3890241), wk = 0.0034130 k( 168) = ( 0.3804875 0.6195125 -0.3804875), wk = 0.0034130 k( 169) = ( 0.3719509 0.6280491 -0.3719509), wk = 0.0034130 k( 170) = ( 0.3634143 0.6365857 -0.3634143), wk = 0.0034130 k( 171) = ( 0.3548777 0.6451223 -0.3548777), wk = 0.0034130 k( 172) = ( 0.3463411 0.6536589 -0.3463411), wk = 0.0034130 k( 173) = ( 0.3463411 0.6536589 -0.3463411), wk = 0.0034130 k( 174) = ( 0.3298487 0.6463418 -0.3298486), wk = 0.0034130 k( 175) = ( 0.3133562 0.6390247 -0.3133562), wk = 0.0034130 k( 176) = ( 0.2968638 0.6317076 -0.2968638), wk = 0.0034130 k( 177) = ( 0.2803714 0.6243905 -0.2803714), wk = 0.0034130 k( 178) = ( 0.2638789 0.6170735 -0.2638789), wk = 0.0034130 k( 179) = ( 0.2473865 0.6097564 -0.2473865), wk = 0.0034130 k( 180) = ( 0.2308941 0.6024393 -0.2308941), wk = 0.0034130 k( 181) = ( 0.2144016 0.5951222 -0.2144016), wk = 0.0034130 k( 182) = ( 0.1979092 0.5878051 -0.1979092), wk = 0.0034130 k( 183) = ( 0.1814168 0.5804880 -0.1814168), wk = 0.0034130 k( 184) = ( 0.1649243 0.5731709 -0.1649243), wk = 0.0034130 k( 185) = ( 0.1484319 0.5658538 -0.1484319), wk = 0.0034130 k( 186) = ( 0.1319395 0.5585367 -0.1319395), wk = 0.0034130 k( 187) = ( 0.1154470 0.5512196 -0.1154470), wk = 0.0034130 k( 188) = ( 0.0989546 0.5439025 -0.0989546), wk = 0.0034130 k( 189) = ( 0.0824622 0.5365855 -0.0824622), wk = 0.0034130 k( 190) = ( 0.0659697 0.5292684 -0.0659697), wk = 0.0034130 k( 191) = ( 0.0494773 0.5219513 -0.0494773), wk = 0.0034130 k( 192) = ( 0.0329849 0.5146342 -0.0329849), wk = 0.0034130 k( 193) = ( 0.0164924 0.5073171 -0.0164924), wk = 0.0034130 k( 194) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034130 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034130 k( 196) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0034130 k( 197) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0034130 k( 198) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0034130 k( 199) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0034130 k( 200) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0034130 k( 201) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0034130 k( 202) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0034130 k( 203) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0034130 k( 204) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0034130 k( 205) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0034130 k( 206) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0034130 k( 207) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0034130 k( 208) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0034130 k( 209) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0034130 k( 210) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0034130 k( 211) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0034130 k( 212) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0034130 k( 213) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0034130 k( 214) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0034130 k( 215) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0034130 k( 216) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0034130 k( 217) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0034130 k( 218) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0034130 k( 219) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0034130 k( 220) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0034130 k( 221) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0034130 k( 222) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0034130 k( 223) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034130 k( 224) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034130 k( 225) = ( 0.2604167 0.2604167 0.2315549), wk = 0.0034130 k( 226) = ( 0.2708333 0.2708333 0.2131098), wk = 0.0034130 k( 227) = ( 0.2812500 0.2812500 0.1946647), wk = 0.0034130 k( 228) = ( 0.2916667 0.2916667 0.1762196), wk = 0.0034130 k( 229) = ( 0.3020833 0.3020833 0.1577745), wk = 0.0034130 k( 230) = ( 0.3125000 0.3125000 0.1393295), wk = 0.0034130 k( 231) = ( 0.3229167 0.3229167 0.1208844), wk = 0.0034130 k( 232) = ( 0.3333333 0.3333333 0.1024393), wk = 0.0034130 k( 233) = ( 0.3437500 0.3437500 0.0839942), wk = 0.0034130 k( 234) = ( 0.3541667 0.3541667 0.0655491), wk = 0.0034130 k( 235) = ( 0.3645833 0.3645833 0.0471040), wk = 0.0034130 k( 236) = ( 0.3750000 0.3750000 0.0286589), wk = 0.0034130 k( 237) = ( 0.3854167 0.3854167 0.0102138), wk = 0.0034130 k( 238) = ( 0.3958333 0.3958333 -0.0082313), wk = 0.0034130 k( 239) = ( 0.4062500 0.4062500 -0.0266764), wk = 0.0034130 k( 240) = ( 0.4166667 0.4166667 -0.0451215), wk = 0.0034130 k( 241) = ( 0.4270833 0.4270833 -0.0635665), wk = 0.0034130 k( 242) = ( 0.4375000 0.4375000 -0.0820116), wk = 0.0034130 k( 243) = ( 0.4479167 0.4479167 -0.1004567), wk = 0.0034130 k( 244) = ( 0.4583333 0.4583333 -0.1189018), wk = 0.0034130 k( 245) = ( 0.4687500 0.4687500 -0.1373469), wk = 0.0034130 k( 246) = ( 0.4791667 0.4791667 -0.1557920), wk = 0.0034130 k( 247) = ( 0.4895833 0.4895833 -0.1742371), wk = 0.0034130 k( 248) = ( 0.5000000 0.5000000 -0.1926822), wk = 0.0034130 k( 249) = ( 0.5000000 0.5000000 -0.1926822), wk = 0.0034130 k( 250) = ( 0.5000000 0.5000000 -0.2049749), wk = 0.0034130 k( 251) = ( 0.5000000 0.5000000 -0.2172676), wk = 0.0034130 k( 252) = ( 0.5000000 0.5000000 -0.2295603), wk = 0.0034130 k( 253) = ( 0.5000000 0.5000000 -0.2418530), wk = 0.0034130 k( 254) = ( 0.5000000 0.5000000 -0.2541457), wk = 0.0034130 k( 255) = ( 0.5000000 0.5000000 -0.2664384), wk = 0.0034130 k( 256) = ( 0.5000000 0.5000000 -0.2787312), wk = 0.0034130 k( 257) = ( 0.5000000 0.5000000 -0.2910239), wk = 0.0034130 k( 258) = ( 0.5000000 0.5000000 -0.3033166), wk = 0.0034130 k( 259) = ( 0.5000000 0.5000000 -0.3156093), wk = 0.0034130 k( 260) = ( 0.5000000 0.5000000 -0.3279020), wk = 0.0034130 k( 261) = ( 0.5000000 0.5000000 -0.3401947), wk = 0.0034130 k( 262) = ( 0.5000000 0.5000000 -0.3524874), wk = 0.0034130 k( 263) = ( 0.5000000 0.5000000 -0.3647802), wk = 0.0034130 k( 264) = ( 0.5000000 0.5000000 -0.3770729), wk = 0.0034130 k( 265) = ( 0.5000000 0.5000000 -0.3893656), wk = 0.0034130 k( 266) = ( 0.5000000 0.5000000 -0.4016583), wk = 0.0034130 k( 267) = ( 0.5000000 0.5000000 -0.4139510), wk = 0.0034130 k( 268) = ( 0.5000000 0.5000000 -0.4262437), wk = 0.0034130 k( 269) = ( 0.5000000 0.5000000 -0.4385364), wk = 0.0034130 k( 270) = ( 0.5000000 0.5000000 -0.4508291), wk = 0.0034130 k( 271) = ( 0.5000000 0.5000000 -0.4631219), wk = 0.0034130 k( 272) = ( 0.5000000 0.5000000 -0.4754146), wk = 0.0034130 k( 273) = ( 0.5000000 0.5000000 -0.4877073), wk = 0.0034130 k( 274) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034130 k( 275) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 276) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0034130 k( 277) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0034130 k( 278) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0034130 k( 279) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0034130 k( 280) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0034130 k( 281) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0034130 k( 282) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0034130 k( 283) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0034130 k( 284) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0034130 k( 285) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0034130 k( 286) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0034130 k( 287) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0034130 k( 288) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0034130 k( 289) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0034130 k( 290) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0034130 k( 291) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0034130 k( 292) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0034130 k( 293) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034130 Dense grid: 52213 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 34343 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 184, 50) NL pseudopotentials 0.29 Mb ( 92, 204) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1088) G-vector shells 0.00 Mb ( 520) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 184, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.31 Mb ( 204, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./InPS4.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.2 secs Computing kpt #: 2 total cpu time spent up to now is 46.3 secs Computing kpt #: 3 total cpu time spent up to now is 48.5 secs Computing kpt #: 4 total cpu time spent up to now is 50.9 secs Computing kpt #: 5 total cpu time spent up to now is 53.2 secs Computing kpt #: 6 total cpu time spent up to now is 55.8 secs Computing kpt #: 7 total cpu time spent up to now is 58.2 secs Computing kpt #: 8 total cpu time spent up to now is 60.5 secs Computing kpt #: 9 total cpu time spent up to now is 62.9 secs Computing kpt #: 10 total cpu time spent up to now is 65.4 secs Computing kpt #: 11 total cpu time spent up to now is 67.8 secs Computing kpt #: 12 total cpu time spent up to now is 70.1 secs Computing kpt #: 13 total cpu time spent up to now is 72.6 secs Computing kpt #: 14 total cpu time spent up to now is 75.0 secs Computing kpt #: 15 total cpu time spent up to now is 77.4 secs Computing kpt #: 16 total cpu time spent up to now is 79.7 secs Computing kpt #: 17 total cpu time spent up to now is 82.1 secs Computing kpt #: 18 total cpu time spent up to now is 84.4 secs Computing kpt #: 19 total cpu time spent up to now is 86.7 secs Computing kpt #: 20 total cpu time spent up to now is 89.0 secs Computing kpt #: 21 total cpu time spent up to now is 91.4 secs Computing kpt #: 22 total cpu time spent up to now is 93.8 secs Computing kpt #: 23 total cpu time spent up to now is 96.0 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 100.3 secs Computing kpt #: 26 total cpu time spent up to now is 102.5 secs Computing kpt #: 27 total cpu time spent up to now is 104.9 secs Computing kpt #: 28 total cpu time spent up to now is 107.3 secs Computing kpt #: 29 total cpu time spent up to now is 109.6 secs Computing kpt #: 30 total cpu time spent up to now is 112.0 secs Computing kpt #: 31 total cpu time spent up to now is 114.6 secs Computing kpt #: 32 total cpu time spent up to now is 117.1 secs Computing kpt #: 33 total cpu time spent up to now is 119.4 secs Computing kpt #: 34 total cpu time spent up to now is 121.7 secs Computing kpt #: 35 total cpu time spent up to now is 124.0 secs Computing kpt #: 36 total cpu time spent up to now is 126.3 secs Computing kpt #: 37 total cpu time spent up to now is 128.6 secs Computing kpt #: 38 total cpu time spent up to now is 130.9 secs Computing kpt #: 39 total cpu time spent up to now is 133.2 secs Computing kpt #: 40 total cpu time spent up to now is 135.4 secs Computing kpt #: 41 total cpu time spent up to now is 137.7 secs Computing kpt #: 42 total cpu time spent up to now is 139.9 secs Computing kpt #: 43 total cpu time spent up to now is 142.0 secs Computing kpt #: 44 total cpu time spent up to now is 144.3 secs Computing kpt #: 45 total cpu time spent up to now is 146.5 secs Computing kpt #: 46 total cpu time spent up to now is 148.6 secs Computing kpt #: 47 total cpu time spent up to now is 150.8 secs Computing kpt #: 48 total cpu time spent up to now is 153.0 secs Computing kpt #: 49 total cpu time spent up to now is 155.2 secs Computing kpt #: 50 total cpu time spent up to now is 157.6 secs Computing kpt #: 51 total cpu time spent up to now is 160.0 secs Computing kpt #: 52 total cpu time spent up to now is 162.5 secs Computing kpt #: 53 total cpu time spent up to now is 164.9 secs Computing kpt #: 54 total cpu time spent up to now is 167.1 secs Computing kpt #: 55 total cpu time spent up to now is 169.4 secs Computing kpt #: 56 total cpu time spent up to now is 171.7 secs Computing kpt #: 57 total cpu time spent up to now is 174.0 secs Computing kpt #: 58 total cpu time spent up to now is 176.2 secs Computing kpt #: 59 total cpu time spent up to now is 178.5 secs Computing kpt #: 60 total cpu time spent up to now is 180.7 secs Computing kpt #: 61 total cpu time spent up to now is 183.0 secs Computing kpt #: 62 total cpu time spent up to now is 185.2 secs Computing kpt #: 63 total cpu time spent up to now is 187.5 secs Computing kpt #: 64 total cpu time spent up to now is 189.7 secs Computing kpt #: 65 total cpu time spent up to now is 191.8 secs Computing kpt #: 66 total cpu time spent up to now is 194.0 secs Computing kpt #: 67 total cpu time spent up to now is 196.3 secs Computing kpt #: 68 total cpu time spent up to now is 198.4 secs Computing kpt #: 69 total cpu time spent up to now is 200.6 secs Computing kpt #: 70 total cpu time spent up to now is 202.7 secs Computing kpt #: 71 total cpu time spent up to now is 204.9 secs Computing kpt #: 72 total cpu time spent up to now is 207.5 secs Computing kpt #: 73 total cpu time spent up to now is 210.1 secs Computing kpt #: 74 total cpu time spent up to now is 212.2 secs Computing kpt #: 75 total cpu time spent up to now is 214.3 secs Computing kpt #: 76 total cpu time spent up to now is 216.4 secs Computing kpt #: 77 total cpu time spent up to now is 218.6 secs Computing kpt #: 78 total cpu time spent up to now is 220.8 secs Computing kpt #: 79 total cpu time spent up to now is 223.0 secs Computing kpt #: 80 total cpu time spent up to now is 225.1 secs Computing kpt #: 81 total cpu time spent up to now is 227.5 secs Computing kpt #: 82 total cpu time spent up to now is 229.9 secs Computing kpt #: 83 total cpu time spent up to now is 232.2 secs Computing kpt #: 84 total cpu time spent up to now is 234.6 secs Computing kpt #: 85 total cpu time spent up to now is 236.9 secs Computing kpt #: 86 total cpu time spent up to now is 239.1 secs Computing kpt #: 87 total cpu time spent up to now is 241.2 secs Computing kpt #: 88 total cpu time spent up to now is 243.3 secs Computing kpt #: 89 total cpu time spent up to now is 245.4 secs Computing kpt #: 90 total cpu time spent up to now is 247.4 secs Computing kpt #: 91 total cpu time spent up to now is 249.3 secs Computing kpt #: 92 total cpu time spent up to now is 251.2 secs Computing kpt #: 93 total cpu time spent up to now is 253.1 secs Computing kpt #: 94 total cpu time spent up to now is 255.0 secs Computing kpt #: 95 total cpu time spent up to now is 256.8 secs Computing kpt #: 96 total cpu time spent up to now is 258.7 secs Computing kpt #: 97 total cpu time spent up to now is 260.6 secs Computing kpt #: 98 total cpu time spent up to now is 262.6 secs Computing kpt #: 99 total cpu time spent up to now is 264.5 secs Computing kpt #: 100 total cpu time spent up to now is 266.4 secs Computing kpt #: 101 total cpu time spent up to now is 268.4 secs Computing kpt #: 102 total cpu time spent up to now is 270.4 secs Computing kpt #: 103 total cpu time spent up to now is 272.4 secs Computing kpt #: 104 total cpu time spent up to now is 274.4 secs Computing kpt #: 105 total cpu time spent up to now is 276.7 secs Computing kpt #: 106 total cpu time spent up to now is 278.9 secs Computing kpt #: 107 total cpu time spent up to now is 281.1 secs Computing kpt #: 108 total cpu time spent up to now is 283.3 secs Computing kpt #: 109 total cpu time spent up to now is 285.7 secs Computing kpt #: 110 total cpu time spent up to now is 288.0 secs Computing kpt #: 111 total cpu time spent up to now is 290.4 secs Computing kpt #: 112 total cpu time spent up to now is 292.7 secs Computing kpt #: 113 total cpu time spent up to now is 295.2 secs Computing kpt #: 114 total cpu time spent up to now is 297.5 secs Computing kpt #: 115 total cpu time spent up to now is 299.7 secs Computing kpt #: 116 total cpu time spent up to now is 301.6 secs Computing kpt #: 117 total cpu time spent up to now is 303.7 secs Computing kpt #: 118 total cpu time spent up to now is 305.9 secs Computing kpt #: 119 total cpu time spent up to now is 307.8 secs Computing kpt #: 120 total cpu time spent up to now is 310.0 secs Computing kpt #: 121 total cpu time spent up to now is 312.2 secs Computing kpt #: 122 total cpu time spent up to now is 314.5 secs Computing kpt #: 123 total cpu time spent up to now is 316.8 secs Computing kpt #: 124 total cpu time spent up to now is 319.1 secs Computing kpt #: 125 total cpu time spent up to now is 321.5 secs Computing kpt #: 126 total cpu time spent up to now is 324.3 secs Computing kpt #: 127 total cpu time spent up to now is 329.1 secs Computing kpt #: 128 total cpu time spent up to now is 332.3 secs Computing kpt #: 129 total cpu time spent up to now is 334.8 secs Computing kpt #: 130 total cpu time spent up to now is 337.2 secs Computing kpt #: 131 total cpu time spent up to now is 339.5 secs Computing kpt #: 132 total cpu time spent up to now is 341.7 secs Computing kpt #: 133 total cpu time spent up to now is 346.5 secs Computing kpt #: 134 total cpu time spent up to now is 348.8 secs Computing kpt #: 135 total cpu time spent up to now is 351.1 secs Computing kpt #: 136 total cpu time spent up to now is 353.3 secs Computing kpt #: 137 total cpu time spent up to now is 355.7 secs Computing kpt #: 138 total cpu time spent up to now is 357.9 secs Computing kpt #: 139 total cpu time spent up to now is 360.1 secs Computing kpt #: 140 total cpu time spent up to now is 362.3 secs Computing kpt #: 141 total cpu time spent up to now is 364.3 secs Computing kpt #: 142 total cpu time spent up to now is 366.3 secs Computing kpt #: 143 total cpu time spent up to now is 368.3 secs Computing kpt #: 144 total cpu time spent up to now is 370.2 secs Computing kpt #: 145 total cpu time spent up to now is 372.0 secs Computing kpt #: 146 total cpu time spent up to now is 373.8 secs Computing kpt #: 147 total cpu time spent up to now is 375.6 secs Computing kpt #: 148 total cpu time spent up to now is 377.2 secs Computing kpt #: 149 total cpu time spent up to now is 378.9 secs Computing kpt #: 150 total cpu time spent up to now is 380.6 secs Computing kpt #: 151 total cpu time spent up to now is 382.3 secs Computing kpt #: 152 total cpu time spent up to now is 383.9 secs Computing kpt #: 153 total cpu time spent up to now is 385.6 secs Computing kpt #: 154 total cpu time spent up to now is 387.1 secs Computing kpt #: 155 total cpu time spent up to now is 388.8 secs Computing kpt #: 156 total cpu time spent up to now is 390.4 secs Computing kpt #: 157 total cpu time spent up to now is 392.1 secs Computing kpt #: 158 total cpu time spent up to now is 393.8 secs Computing kpt #: 159 total cpu time spent up to now is 395.5 secs Computing kpt #: 160 total cpu time spent up to now is 397.2 secs Computing kpt #: 161 total cpu time spent up to now is 399.1 secs Computing kpt #: 162 total cpu time spent up to now is 400.9 secs Computing kpt #: 163 total cpu time spent up to now is 403.6 secs Computing kpt #: 164 total cpu time spent up to now is 405.6 secs Computing kpt #: 165 total cpu time spent up to now is 407.5 secs Computing kpt #: 166 total cpu time spent up to now is 409.5 secs Computing kpt #: 167 total cpu time spent up to now is 411.5 secs Computing kpt #: 168 total cpu time spent up to now is 413.5 secs Computing kpt #: 169 total cpu time spent up to now is 415.5 secs Computing kpt #: 170 total cpu time spent up to now is 417.6 secs Computing kpt #: 171 total cpu time spent up to now is 419.8 secs Computing kpt #: 172 total cpu time spent up to now is 422.0 secs Computing kpt #: 173 total cpu time spent up to now is 424.1 secs Computing kpt #: 174 total cpu time spent up to now is 426.2 secs Computing kpt #: 175 total cpu time spent up to now is 428.5 secs Computing kpt #: 176 total cpu time spent up to now is 430.6 secs Computing kpt #: 177 total cpu time spent up to now is 432.9 secs Computing kpt #: 178 total cpu time spent up to now is 435.3 secs Computing kpt #: 179 total cpu time spent up to now is 437.7 secs Computing kpt #: 180 total cpu time spent up to now is 440.0 secs Computing kpt #: 181 total cpu time spent up to now is 442.3 secs Computing kpt #: 182 total cpu time spent up to now is 444.5 secs Computing kpt #: 183 total cpu time spent up to now is 446.7 secs Computing kpt #: 184 total cpu time spent up to now is 448.7 secs Computing kpt #: 185 total cpu time spent up to now is 450.9 secs Computing kpt #: 186 total cpu time spent up to now is 453.0 secs Computing kpt #: 187 total cpu time spent up to now is 455.0 secs Computing kpt #: 188 total cpu time spent up to now is 457.0 secs Computing kpt #: 189 total cpu time spent up to now is 459.0 secs Computing kpt #: 190 total cpu time spent up to now is 461.0 secs Computing kpt #: 191 total cpu time spent up to now is 463.2 secs Computing kpt #: 192 total cpu time spent up to now is 465.2 secs Computing kpt #: 193 total cpu time spent up to now is 467.1 secs Computing kpt #: 194 total cpu time spent up to now is 469.0 secs Computing kpt #: 195 total cpu time spent up to now is 471.0 secs Computing kpt #: 196 total cpu time spent up to now is 472.9 secs Computing kpt #: 197 total cpu time spent up to now is 474.9 secs Computing kpt #: 198 total cpu time spent up to now is 476.8 secs Computing kpt #: 199 total cpu time spent up to now is 478.7 secs Computing kpt #: 200 total cpu time spent up to now is 480.7 secs Computing kpt #: 201 total cpu time spent up to now is 482.7 secs Computing kpt #: 202 total cpu time spent up to now is 484.7 secs Computing kpt #: 203 total cpu time spent up to now is 486.6 secs Computing kpt #: 204 total cpu time spent up to now is 488.6 secs Computing kpt #: 205 total cpu time spent up to now is 490.6 secs Computing kpt #: 206 total cpu time spent up to now is 492.5 secs Computing kpt #: 207 total cpu time spent up to now is 494.5 secs Computing kpt #: 208 total cpu time spent up to now is 496.5 secs Computing kpt #: 209 total cpu time spent up to now is 498.5 secs Computing kpt #: 210 total cpu time spent up to now is 500.5 secs Computing kpt #: 211 total cpu time spent up to now is 502.5 secs Computing kpt #: 212 total cpu time spent up to now is 504.5 secs Computing kpt #: 213 total cpu time spent up to now is 506.6 secs Computing kpt #: 214 total cpu time spent up to now is 509.6 secs Computing kpt #: 215 total cpu time spent up to now is 512.6 secs Computing kpt #: 216 total cpu time spent up to now is 514.9 secs Computing kpt #: 217 total cpu time spent up to now is 517.1 secs Computing kpt #: 218 total cpu time spent up to now is 519.1 secs Computing kpt #: 219 total cpu time spent up to now is 521.0 secs Computing kpt #: 220 total cpu time spent up to now is 522.9 secs Computing kpt #: 221 total cpu time spent up to now is 524.8 secs Computing kpt #: 222 total cpu time spent up to now is 526.6 secs Computing kpt #: 223 total cpu time spent up to now is 528.3 secs Computing kpt #: 224 total cpu time spent up to now is 530.2 secs Computing kpt #: 225 total cpu time spent up to now is 532.0 secs Computing kpt #: 226 total cpu time spent up to now is 534.0 secs Computing kpt #: 227 total cpu time spent up to now is 536.0 secs Computing kpt #: 228 total cpu time spent up to now is 538.0 secs Computing kpt #: 229 total cpu time spent up to now is 540.0 secs Computing kpt #: 230 total cpu time spent up to now is 542.0 secs Computing kpt #: 231 total cpu time spent up to now is 544.0 secs Computing kpt #: 232 total cpu time spent up to now is 546.1 secs Computing kpt #: 233 total cpu time spent up to now is 548.1 secs Computing kpt #: 234 total cpu time spent up to now is 550.3 secs Computing kpt #: 235 total cpu time spent up to now is 552.3 secs Computing kpt #: 236 total cpu time spent up to now is 554.5 secs Computing kpt #: 237 total cpu time spent up to now is 556.6 secs Computing kpt #: 238 total cpu time spent up to now is 558.7 secs Computing kpt #: 239 total cpu time spent up to now is 560.9 secs Computing kpt #: 240 total cpu time spent up to now is 563.1 secs Computing kpt #: 241 total cpu time spent up to now is 565.4 secs Computing kpt #: 242 total cpu time spent up to now is 567.6 secs Computing kpt #: 243 total cpu time spent up to now is 569.8 secs Computing kpt #: 244 total cpu time spent up to now is 572.1 secs Computing kpt #: 245 total cpu time spent up to now is 574.3 secs Computing kpt #: 246 total cpu time spent up to now is 576.7 secs Computing kpt #: 247 total cpu time spent up to now is 578.9 secs Computing kpt #: 248 total cpu time spent up to now is 581.1 secs Computing kpt #: 249 total cpu time spent up to now is 583.3 secs Computing kpt #: 250 total cpu time spent up to now is 585.5 secs Computing kpt #: 251 total cpu time spent up to now is 587.7 secs Computing kpt #: 252 total cpu time spent up to now is 589.9 secs Computing kpt #: 253 total cpu time spent up to now is 592.0 secs Computing kpt #: 254 total cpu time spent up to now is 594.2 secs Computing kpt #: 255 total cpu time spent up to now is 596.3 secs Computing kpt #: 256 total cpu time spent up to now is 598.4 secs Computing kpt #: 257 total cpu time spent up to now is 600.5 secs Computing kpt #: 258 total cpu time spent up to now is 602.6 secs Computing kpt #: 259 total cpu time spent up to now is 604.7 secs Computing kpt #: 260 total cpu time spent up to now is 606.6 secs Computing kpt #: 261 total cpu time spent up to now is 608.6 secs Computing kpt #: 262 total cpu time spent up to now is 610.5 secs Computing kpt #: 263 total cpu time spent up to now is 618.3 secs Computing kpt #: 264 total cpu time spent up to now is 621.2 secs Computing kpt #: 265 total cpu time spent up to now is 623.0 secs Computing kpt #: 266 total cpu time spent up to now is 625.1 secs Computing kpt #: 267 total cpu time spent up to now is 626.9 secs Computing kpt #: 268 total cpu time spent up to now is 628.6 secs Computing kpt #: 269 total cpu time spent up to now is 630.3 secs Computing kpt #: 270 total cpu time spent up to now is 632.1 secs Computing kpt #: 271 total cpu time spent up to now is 633.8 secs Computing kpt #: 272 total cpu time spent up to now is 635.7 secs Computing kpt #: 273 total cpu time spent up to now is 637.4 secs Computing kpt #: 274 total cpu time spent up to now is 639.1 secs Computing kpt #: 275 total cpu time spent up to now is 641.4 secs Computing kpt #: 276 total cpu time spent up to now is 643.7 secs Computing kpt #: 277 total cpu time spent up to now is 646.0 secs Computing kpt #: 278 total cpu time spent up to now is 648.3 secs Computing kpt #: 279 total cpu time spent up to now is 650.4 secs Computing kpt #: 280 total cpu time spent up to now is 652.5 secs Computing kpt #: 281 total cpu time spent up to now is 654.6 secs Computing kpt #: 282 total cpu time spent up to now is 656.7 secs Computing kpt #: 283 total cpu time spent up to now is 658.8 secs Computing kpt #: 284 total cpu time spent up to now is 660.8 secs Computing kpt #: 285 total cpu time spent up to now is 662.9 secs Computing kpt #: 286 total cpu time spent up to now is 664.9 secs Computing kpt #: 287 total cpu time spent up to now is 666.8 secs Computing kpt #: 288 total cpu time spent up to now is 668.8 secs Computing kpt #: 289 total cpu time spent up to now is 670.8 secs Computing kpt #: 290 total cpu time spent up to now is 672.6 secs Computing kpt #: 291 total cpu time spent up to now is 674.4 secs Computing kpt #: 292 total cpu time spent up to now is 676.3 secs Computing kpt #: 293 total cpu time spent up to now is 678.0 secs ethr = 2.38E-11, avg # of iterations = 37.0 total cpu time spent up to now is 678.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4289 PWs) bands (ev): -10.8873 -10.8873 -10.0370 -10.0370 -9.9987 -9.9987 -9.3452 -9.3452 -9.1280 -9.1280 -9.1203 -9.1203 -7.4548 -7.4548 -7.4270 -7.4270 -7.0117 -7.0117 -4.2084 -4.2084 -0.6615 -0.6615 -0.6329 -0.6329 0.0255 0.0255 0.4578 0.4578 1.3643 1.3643 2.5138 2.5138 3.0719 3.0719 3.1006 3.1006 3.9140 3.9140 3.9666 3.9666 4.1579 4.1579 7.0051 7.0051 7.5887 7.5887 8.2577 8.2577 9.3946 9.3946 k = 0.0000 0.0000 0.0189 ( 4297 PWs) bands (ev): -10.8873 -10.8868 -10.0372 -10.0368 -9.9998 -9.9973 -9.3459 -9.3443 -9.1286 -9.1275 -9.1218 -9.1186 -7.4562 -7.4546 -7.4283 -7.4268 -7.0126 -7.0114 -4.2072 -4.2068 -0.6636 -0.6623 -0.6347 -0.6338 0.0253 0.0254 0.4613 0.4628 1.3636 1.3663 2.5144 2.5152 3.0701 3.0740 3.1003 3.1015 3.9105 3.9124 3.9638 3.9642 4.1553 4.1578 7.0090 7.0099 7.5899 7.5915 8.2581 8.2592 9.3910 9.3971 k = 0.0000 0.0000 0.0379 ( 4305 PWs) bands (ev): -10.8870 -10.8858 -10.0375 -10.0365 -10.0007 -9.9956 -9.3465 -9.3432 -9.1291 -9.1271 -9.1232 -9.1168 -7.4590 -7.4557 -7.4310 -7.4276 -7.0142 -7.0119 -4.2034 -4.2026 -0.6702 -0.6674 -0.6375 -0.6360 0.0247 0.0250 0.4731 0.4761 1.3642 1.3698 2.5171 2.5186 3.0681 3.0755 3.1009 3.1034 3.9013 3.9053 3.9567 3.9578 4.1499 4.1548 7.0212 7.0230 7.5952 7.5984 8.2606 8.2627 9.3865 9.3986 k = 0.0000 0.0000 0.0568 ( 4305 PWs) bands (ev): -10.8863 -10.8845 -10.0377 -10.0362 -10.0013 -9.9936 -9.3470 -9.3419 -9.1297 -9.1268 -9.1242 -9.1149 -7.4632 -7.4581 -7.4348 -7.4293 -7.0166 -7.0131 -4.1968 -4.1956 -0.6836 -0.6790 -0.6387 -0.6366 0.0237 0.0241 0.4929 0.4973 1.3663 1.3746 2.5218 2.5240 3.0651 3.0750 3.1036 3.1074 3.8845 3.8910 3.9476 3.9496 4.1418 4.1490 7.0413 7.0440 7.6043 7.6091 8.2651 8.2681 9.3812 9.3991 k = 0.0000 0.0000 0.0758 ( 4303 PWs) bands (ev): -10.8851 -10.8828 -10.0379 -10.0358 -10.0016 -9.9913 -9.3473 -9.3405 -9.1302 -9.1269 -9.1247 -9.1128 -7.4691 -7.4619 -7.4398 -7.4317 -7.0196 -7.0150 -4.1876 -4.1860 -0.7038 -0.6975 -0.6376 -0.6345 0.0223 0.0229 0.5199 0.5255 1.3698 1.3807 2.5284 2.5314 3.0602 3.0715 3.1087 3.1140 3.8596 3.8682 3.9386 3.9414 4.1311 4.1404 7.0686 7.0722 7.6169 7.6234 8.2717 8.2755 9.3752 9.3986 k = 0.0000 0.0000 0.0947 ( 4305 PWs) bands (ev): -10.8835 -10.8806 -10.0381 -10.0353 -10.0017 -9.9888 -9.3475 -9.3389 -9.1308 -9.1276 -9.1245 -9.1106 -7.4766 -7.4671 -7.4455 -7.4347 -7.0234 -7.0176 -4.1758 -4.1739 -0.7293 -0.7218 -0.6345 -0.6305 0.0204 0.0211 0.5534 0.5601 1.3748 1.3883 2.5370 2.5406 3.0532 3.0654 3.1156 3.1228 3.8276 3.8381 3.9302 3.9336 4.1179 4.1290 7.1021 7.1066 7.6326 7.6408 8.2804 8.2849 9.3687 9.3971 k = 0.0000 0.0000 0.1137 ( 4301 PWs) bands (ev): -10.8816 -10.8781 -10.0384 -10.0348 -10.0015 -9.9860 -9.3475 -9.3372 -9.1313 -9.1284 -9.1241 -9.1082 -7.4858 -7.4740 -7.4519 -7.4380 -7.0279 -7.0209 -4.1615 -4.1592 -0.7591 -0.7505 -0.6297 -0.6248 0.0179 0.0187 0.5925 0.6002 1.3813 1.3972 2.5475 2.5517 3.0441 3.0573 3.1234 3.1325 3.7908 3.8029 3.9220 3.9257 4.1021 4.1151 7.1405 7.1460 7.6509 7.6609 8.2912 8.2965 9.3620 9.3947 k = 0.0000 0.0000 0.1326 ( 4301 PWs) bands (ev): -10.8793 -10.8753 -10.0387 -10.0343 -10.0010 -9.9829 -9.3474 -9.3352 -9.1318 -9.1291 -9.1237 -9.1057 -7.4966 -7.4828 -7.4584 -7.4417 -7.0331 -7.0250 -4.1448 -4.1421 -0.7922 -0.7827 -0.6236 -0.6179 0.0148 0.0158 0.6363 0.6449 1.3893 1.4076 2.5597 2.5646 3.0329 3.0474 3.1309 3.1414 3.7520 3.7656 3.9134 3.9176 4.0840 4.0988 7.1828 7.1891 7.6712 7.6830 8.3042 8.3101 9.3553 9.3914 k = 0.0000 0.0000 0.1516 ( 4313 PWs) bands (ev): -10.8766 -10.8721 -10.0390 -10.0337 -10.0003 -9.9795 -9.3472 -9.3331 -9.1322 -9.1298 -9.1232 -9.1031 -7.5091 -7.4934 -7.4650 -7.4458 -7.0392 -7.0298 -4.1257 -4.1227 -0.8278 -0.8176 -0.6161 -0.6096 0.0111 0.0122 0.6841 0.6934 1.3990 1.4195 2.5736 2.5789 3.0196 3.0359 3.1365 3.1477 3.7142 3.7292 3.9042 3.9089 4.0635 4.0802 7.2275 7.2347 7.6929 7.7066 8.3192 8.3261 9.3489 9.3873 k = 0.0000 0.0000 0.1705 ( 4307 PWs) bands (ev): -10.8736 -10.8686 -10.0393 -10.0331 -9.9993 -9.9759 -9.3468 -9.3308 -9.1325 -9.1305 -9.1227 -9.1003 -7.5230 -7.5058 -7.4716 -7.4501 -7.0460 -7.0354 -4.1043 -4.1010 -0.8653 -0.8545 -0.6073 -0.6000 0.0066 0.0079 0.7350 0.7450 1.4103 1.4330 2.5888 2.5946 3.0041 3.0228 3.1386 3.1490 3.6810 3.6969 3.8943 3.8997 4.0410 4.0595 7.2733 7.2814 7.7155 7.7309 8.3363 8.3443 9.3430 9.3825 k = 0.0000 0.0000 0.1895 ( 4315 PWs) bands (ev): -10.8703 -10.8648 -10.0397 -10.0324 -9.9980 -9.9721 -9.3463 -9.3283 -9.1327 -9.1310 -9.1222 -9.0974 -7.5383 -7.5197 -7.4783 -7.4547 -7.0535 -7.0418 -4.0809 -4.0773 -0.9042 -0.8930 -0.5971 -0.5891 0.0014 0.0029 0.7883 0.7990 1.4234 1.4480 2.6050 2.6112 2.9860 3.0078 3.1355 3.1435 3.6560 3.6719 3.8837 3.8900 4.0166 4.0370 7.3191 7.3279 7.7384 7.7553 8.3553 8.3648 9.3379 9.3770 k = 0.0000 0.0000 0.2084 ( 4307 PWs) bands (ev): -10.8667 -10.8607 -10.0401 -10.0317 -9.9964 -9.9680 -9.3456 -9.3256 -9.1328 -9.1315 -9.1217 -9.0944 -7.5547 -7.5349 -7.4851 -7.4596 -7.0619 -7.0489 -4.0554 -4.0516 -0.9440 -0.9326 -0.5855 -0.5768 -0.0045 -0.0029 0.8433 0.8546 1.4383 1.4647 2.6217 2.6281 2.9649 2.9904 3.1262 3.1305 3.6419 3.6570 3.8724 3.8797 3.9906 4.0130 7.3635 7.3731 7.7611 7.7793 8.3763 8.3874 9.3336 9.3711 k = 0.0000 0.0000 0.2274 ( 4311 PWs) bands (ev): -10.8628 -10.8564 -10.0405 -10.0311 -9.9944 -9.9637 -9.3449 -9.3227 -9.1328 -9.1319 -9.1212 -9.0912 -7.5723 -7.5513 -7.4921 -7.4647 -7.0710 -7.0567 -4.0281 -4.0240 -0.9846 -0.9730 -0.5725 -0.5633 -0.0112 -0.0094 0.8992 0.9111 1.4551 1.4832 2.6379 2.6442 2.9404 2.9700 3.1084 3.1141 3.6400 3.6532 3.8605 3.8690 3.9633 3.9879 7.4055 7.4157 7.7832 7.8022 8.3990 8.4120 9.3304 9.3647 k = 0.0000 0.0000 0.2463 ( 4311 PWs) bands (ev): -10.8587 -10.8520 -10.0409 -10.0305 -9.9922 -9.9593 -9.3440 -9.3197 -9.1328 -9.1320 -9.1207 -9.0878 -7.5908 -7.5687 -7.4991 -7.4700 -7.0808 -7.0653 -3.9990 -3.9947 -1.0255 -1.0138 -0.5581 -0.5483 -0.0187 -0.0167 0.9553 0.9679 1.4739 1.5035 2.6519 2.6579 2.9135 2.9460 3.0851 3.0969 3.6491 3.6600 3.8482 3.8579 3.9353 3.9621 7.4441 7.4549 7.8042 7.8235 8.4234 8.4380 9.3279 9.3581 k = 0.0000 0.0000 0.2653 ( 4315 PWs) bands (ev): -10.8544 -10.8473 -10.0414 -10.0300 -9.9897 -9.9547 -9.3430 -9.3165 -9.1330 -9.1316 -9.1202 -9.0843 -7.6101 -7.5870 -7.5061 -7.4753 -7.0914 -7.0746 -3.9683 -3.9639 -1.0666 -1.0548 -0.5423 -0.5320 -0.0268 -0.0246 1.0110 1.0241 1.4947 1.5257 2.6607 2.6661 2.8871 2.9195 3.0622 3.0793 3.6671 3.6757 3.8359 3.8467 3.9074 3.9363 7.4784 7.4898 7.8238 7.8429 8.4490 8.4651 9.3261 9.3511 k = 0.0000 0.0000 0.2842 ( 4311 PWs) bands (ev): -10.8499 -10.8425 -10.0418 -10.0295 -9.9868 -9.9500 -9.3418 -9.3131 -9.1332 -9.1310 -9.1198 -9.0807 -7.6302 -7.6060 -7.5131 -7.4808 -7.1027 -7.0846 -3.9362 -3.9316 -1.1076 -1.0959 -0.5251 -0.5143 -0.0356 -0.0332 1.0653 1.0789 1.5175 1.5497 2.6581 2.6653 2.8668 2.8946 3.0429 3.0629 3.6910 3.6972 3.8243 3.8354 3.8807 3.9113 7.5081 7.5201 7.8416 7.8599 8.4756 8.4928 9.3242 9.3438 k = 0.0000 0.0000 0.3031 ( 4311 PWs) bands (ev): -10.8453 -10.8376 -10.0423 -10.0291 -9.9836 -9.9451 -9.3405 -9.3097 -9.1334 -9.1300 -9.1193 -9.0768 -7.6508 -7.6257 -7.5201 -7.4863 -7.1146 -7.0952 -3.9028 -3.8981 -1.1484 -1.1368 -0.5064 -0.4953 -0.0450 -0.0424 1.1174 1.1316 1.5424 1.5755 2.6389 2.6518 2.8581 2.8770 3.0283 3.0489 3.7161 3.7202 3.8160 3.8243 3.8577 3.8888 7.5326 7.5452 7.8572 7.8743 8.5024 8.5203 9.3210 9.3363 k = 0.0000 0.0000 0.3221 ( 4309 PWs) bands (ev): -10.8406 -10.8327 -10.0428 -10.0288 -9.9802 -9.9402 -9.3391 -9.3061 -9.1335 -9.1287 -9.1188 -9.0729 -7.6719 -7.6459 -7.5269 -7.4918 -7.1272 -7.1064 -3.8683 -3.8634 -1.1889 -1.1774 -0.4865 -0.4750 -0.0549 -0.0521 1.1667 1.1811 1.5689 1.6029 2.6053 2.6240 2.8604 2.8695 3.0192 3.0380 3.7311 3.7392 3.8128 3.8170 3.8439 3.8725 7.5518 7.5651 7.8700 7.8858 8.5290 8.5471 9.3147 9.3293 k = 0.0000 0.0000 0.3410 ( 4305 PWs) bands (ev): -10.8358 -10.8277 -10.0432 -10.0285 -9.9765 -9.9352 -9.3375 -9.3025 -9.1336 -9.1272 -9.1183 -9.0688 -7.6934 -7.6666 -7.5336 -7.4972 -7.1403 -7.1183 -3.8328 -3.8279 -1.2289 -1.2175 -0.4652 -0.4535 -0.0652 -0.0622 1.2123 1.2268 1.5967 1.6312 2.5637 2.5857 2.8681 2.8685 3.0163 3.0315 3.7281 3.7443 3.8029 3.8194 3.8511 3.8740 7.5660 7.5798 7.8798 7.8942 8.5546 8.5723 9.3048 9.3219 k = 0.0000 0.0000 0.3600 ( 4305 PWs) bands (ev): -10.8309 -10.8227 -10.0437 -10.0284 -9.9725 -9.9303 -9.3359 -9.2989 -9.1337 -9.1254 -9.1177 -9.0646 -7.7151 -7.6875 -7.5400 -7.5024 -7.1539 -7.1306 -3.7965 -3.7915 -1.2684 -1.2572 -0.4428 -0.4308 -0.0757 -0.0725 1.2534 1.2676 1.6249 1.6600 2.5198 2.5432 2.8679 2.8761 3.0206 3.0308 3.7134 3.7348 3.7934 3.8102 3.8817 3.8992 7.5751 7.5894 7.8861 7.8994 8.5784 8.5953 9.2923 9.3126 k = 0.0000 0.0000 0.3789 ( 4307 PWs) bands (ev): -10.8261 -10.8177 -10.0441 -10.0284 -9.9683 -9.9254 -9.3340 -9.2953 -9.1336 -9.1233 -9.1170 -9.0602 -7.7369 -7.7087 -7.5461 -7.5075 -7.1679 -7.1434 -3.7595 -3.7545 -1.3072 -1.2963 -0.4193 -0.4072 -0.0863 -0.0829 1.2895 1.3030 1.6526 1.6880 2.4782 2.5016 2.8647 2.8797 3.0318 3.0378 3.6944 3.7196 3.7847 3.7986 3.9214 3.9367 7.5795 7.5939 7.8888 7.9013 8.5997 8.6154 9.2781 9.3009 k = 0.0000 0.0000 0.3979 ( 4303 PWs) bands (ev): -10.8212 -10.8128 -10.0445 -10.0284 -9.9639 -9.9205 -9.3321 -9.2918 -9.1335 -9.1213 -9.1158 -9.0557 -7.7588 -7.7300 -7.5519 -7.5123 -7.1823 -7.1567 -3.7221 -3.7171 -1.3452 -1.3346 -0.3949 -0.3828 -0.0968 -0.0933 1.3197 1.3322 1.6784 1.7143 2.4418 2.4644 2.8576 2.8774 3.0479 3.0527 3.6752 3.7035 3.7772 3.7886 3.9649 3.9791 7.5793 7.5937 7.8878 7.8999 8.6177 8.6319 9.2628 9.2870 k = 0.0000 0.0000 0.4168 ( 4305 PWs) bands (ev): -10.8164 -10.8080 -10.0448 -10.0285 -9.9593 -9.9157 -9.3300 -9.2884 -9.1333 -9.1198 -9.1136 -9.0511 -7.7805 -7.7513 -7.5572 -7.5169 -7.1970 -7.1703 -3.6844 -3.6794 -1.3825 -1.3721 -0.3700 -0.3578 -0.1070 -0.1032 1.3434 1.3545 1.7014 1.7379 2.4130 2.4341 2.8476 2.8699 3.0671 3.0733 3.6578 3.6887 3.7709 3.7813 4.0101 4.0238 7.5746 7.5886 7.8834 7.8953 8.6319 8.6442 9.2467 9.2712 k = 0.0000 0.0000 0.4358 ( 4309 PWs) bands (ev): -10.8117 -10.8033 -10.0452 -10.0288 -9.9546 -9.9111 -9.3278 -9.2853 -9.1331 -9.1188 -9.1104 -9.0464 -7.8020 -7.7725 -7.5621 -7.5211 -7.2119 -7.1841 -3.6466 -3.6416 -1.4188 -1.4088 -0.3447 -0.3327 -0.1165 -0.1125 1.3598 1.3690 1.7212 1.7583 2.3928 2.4121 2.8359 2.8591 3.0883 3.0958 3.6440 3.6767 3.7663 3.7767 4.0561 4.0693 7.5655 7.5790 7.8758 7.8877 8.6417 8.6520 9.2303 9.2541 k = 0.0000 0.0000 0.4547 ( 4297 PWs) bands (ev): -10.8071 -10.7988 -10.0454 -10.0291 -9.9498 -9.9067 -9.3255 -9.2824 -9.1327 -9.1183 -9.1063 -9.0417 -7.8232 -7.7936 -7.5665 -7.5251 -7.2269 -7.1981 -3.6089 -3.6039 -1.4541 -1.4445 -0.3196 -0.3079 -0.1249 -0.1205 1.3679 1.3753 1.7381 1.7760 2.3810 2.3983 2.8237 2.8467 3.1095 3.1182 3.6347 3.6686 3.7637 3.7748 4.1021 4.1149 7.5519 7.5646 7.8656 7.8775 8.6468 8.6551 9.2139 9.2359 k = 0.0000 0.0000 0.4737 ( 4285 PWs) bands (ev): -10.8026 -10.7945 -10.0457 -10.0295 -9.9449 -9.9025 -9.3230 -9.2798 -9.1323 -9.1180 -9.1015 -9.0370 -7.8439 -7.8143 -7.5703 -7.5286 -7.2418 -7.2123 -3.5715 -3.5666 -1.4884 -1.4792 -0.2956 -0.2843 -0.1315 -0.1265 1.3672 1.3728 1.7535 1.7920 2.3756 2.3913 2.8126 2.8347 3.1291 3.1389 3.6309 3.6652 3.7634 3.7755 4.1476 4.1600 7.5338 7.5458 7.8531 7.8650 8.6472 8.6535 9.1973 9.2166 k = 0.0000 0.0000 0.4926 ( 4301 PWs) bands (ev): -10.7982 -10.7903 -10.0458 -10.0300 -9.9399 -9.8986 -9.3205 -9.2775 -9.1319 -9.1178 -9.0962 -9.0323 -7.8641 -7.8347 -7.5736 -7.5318 -7.2567 -7.2265 -3.5346 -3.5298 -1.5215 -1.5127 -0.2737 -0.2631 -0.1352 -0.1294 1.3579 1.3620 1.7689 1.8077 2.3739 2.3886 2.8037 2.8245 3.1459 3.1567 3.6333 3.6671 3.7657 3.7787 4.1923 4.2041 7.5112 7.5224 7.8391 7.8508 8.6430 8.6476 9.1804 9.1960 k = 0.0000 0.0000 0.5116 ( 4293 PWs) bands (ev): -10.7940 -10.7864 -10.0459 -10.0305 -9.9350 -9.8949 -9.3179 -9.2756 -9.1313 -9.1177 -9.0903 -9.0277 -7.8835 -7.8546 -7.5762 -7.5346 -7.2713 -7.2406 -3.4984 -3.4938 -1.5533 -1.5450 -0.2558 -0.2461 -0.1345 -0.1276 1.3408 1.3439 1.7854 1.8242 2.3726 2.3873 2.7984 2.8177 3.1590 3.1708 3.6419 3.6745 3.7705 3.7845 4.2355 4.2467 7.4843 7.4947 7.8240 7.8353 8.6348 8.6383 9.1624 9.1738 k = 0.0000 0.0000 0.5305 ( 4294 PWs) bands (ev): -10.7901 -10.7828 -10.0460 -10.0311 -9.9301 -9.8916 -9.3151 -9.2741 -9.1307 -9.1176 -9.0839 -9.0233 -7.9021 -7.8739 -7.5782 -7.5371 -7.2855 -7.2546 -3.4632 -3.4588 -1.5838 -1.5759 -0.2435 -0.2351 -0.1277 -0.1196 1.3174 1.3199 1.8036 1.8420 2.3691 2.3843 2.7972 2.8153 3.1685 3.1812 3.6562 3.6871 3.7783 3.7929 4.2771 4.2877 7.4532 7.4631 7.8083 7.8190 8.6230 8.6263 9.1422 9.1496 k = 0.0000 0.0000 0.5495 ( 4290 PWs) bands (ev): -10.7863 -10.7794 -10.0460 -10.0318 -9.9252 -9.8887 -9.3124 -9.2730 -9.1301 -9.1177 -9.0772 -9.0190 -7.9197 -7.8925 -7.5796 -7.5392 -7.2993 -7.2684 -3.4293 -3.4251 -1.6127 -1.6053 -0.2372 -0.2300 -0.1144 -0.1056 1.2896 1.2919 1.8235 1.8611 2.3615 2.3777 2.8004 2.8175 3.1748 3.1881 3.6753 3.7037 3.7890 3.8041 4.3167 4.3265 7.4187 7.4280 7.7923 7.8024 8.6087 8.6125 9.1182 9.1236 k = 0.0000 0.0000 0.5684 ( 4290 PWs) bands (ev): -10.7827 -10.7763 -10.0459 -10.0325 -9.9204 -9.8861 -9.3095 -9.2722 -9.1294 -9.1177 -9.0701 -9.0150 -7.9362 -7.9102 -7.5803 -7.5410 -7.3124 -7.2818 -3.3969 -3.3929 -1.6400 -1.6331 -0.2356 -0.2295 -0.0964 -0.0874 1.2593 1.2615 1.8448 1.8813 2.3495 2.3666 2.8072 2.8235 3.1788 3.1923 3.6973 3.7226 3.8033 3.8183 4.3539 4.3629 7.3813 7.3902 7.7764 7.7856 8.5931 8.5977 9.0902 9.0961 k = 0.0000 0.0000 0.5873 ( 4278 PWs) bands (ev): -10.7795 -10.7735 -10.0457 -10.0333 -9.9157 -9.8839 -9.3066 -9.2719 -9.1287 -9.1179 -9.0629 -9.0114 -7.9515 -7.9269 -7.5804 -7.5426 -7.3246 -7.2948 -3.3662 -3.3625 -1.6654 -1.6592 -0.2367 -0.2316 -0.0760 -0.0672 1.2281 1.2303 1.8670 1.9022 2.3334 2.3512 2.8163 2.8320 3.1815 3.1947 3.7203 3.7419 3.8214 3.8356 4.3885 4.3967 7.3421 7.3506 7.7607 7.7690 8.5771 8.5824 9.0598 9.0665 k = 0.0000 0.0000 0.6063 ( 4274 PWs) bands (ev): -10.7764 -10.7710 -10.0455 -10.0341 -9.9112 -9.8822 -9.3038 -9.2719 -9.1279 -9.1181 -9.0555 -9.0083 -7.9654 -7.9426 -7.5799 -7.5440 -7.3360 -7.3073 -3.3376 -3.3342 -1.6889 -1.6833 -0.2393 -0.2348 -0.0547 -0.0465 1.1975 1.1996 1.8896 1.9234 2.3143 2.3325 2.8262 2.8413 3.1837 3.1963 3.7425 3.7597 3.8434 3.8562 4.4202 4.4275 7.3023 7.3102 7.7456 7.7529 8.5617 8.5675 9.0289 9.0358 k = 0.0000 0.0000 0.6252 ( 4276 PWs) bands (ev): -10.7737 -10.7688 -10.0452 -10.0350 -9.9069 -9.8809 -9.3009 -9.2722 -9.1272 -9.1184 -9.0482 -9.0057 -7.9778 -7.9571 -7.5787 -7.5454 -7.3461 -7.3190 -3.3114 -3.3083 -1.7102 -1.7052 -0.2423 -0.2384 -0.0340 -0.0265 1.1684 1.1705 1.9122 1.9443 2.2932 2.3116 2.8356 2.8500 3.1862 3.1977 3.7625 3.7754 3.8683 3.8795 4.4488 4.4552 7.2630 7.2703 7.7312 7.7375 8.5475 8.5535 8.9989 9.0054 k = 0.0000 0.0000 0.6442 ( 4276 PWs) bands (ev): -10.7712 -10.7670 -10.0448 -10.0359 -9.9028 -9.8801 -9.2980 -9.2729 -9.1264 -9.1187 -9.0411 -9.0037 -7.9885 -7.9702 -7.5770 -7.5467 -7.3549 -7.3301 -3.2879 -3.2852 -1.7292 -1.7248 -0.2453 -0.2420 -0.0146 -0.0080 1.1419 1.1438 1.9344 1.9646 2.2714 2.2897 2.8437 2.8570 3.1893 3.1995 3.7796 3.7889 3.8945 3.9041 4.4740 4.4795 7.2255 7.2322 7.7179 7.7232 8.5349 8.5408 8.9709 8.9768 k = 0.0000 0.0000 0.6631 ( 4278 PWs) bands (ev): -10.7690 -10.7655 -10.0443 -10.0368 -9.8990 -9.8797 -9.2952 -9.2739 -9.1256 -9.1191 -9.0343 -9.0024 -7.9976 -7.9818 -7.5748 -7.5482 -7.3622 -7.3402 -3.2673 -3.2650 -1.7457 -1.7419 -0.2480 -0.2453 0.0028 0.0085 1.1185 1.1201 1.9558 1.9838 2.2499 2.2679 2.8501 2.8621 3.1930 3.2017 3.7938 3.8003 3.9203 3.9284 4.4958 4.5004 7.1912 7.1970 7.7060 7.7103 8.5244 8.5299 8.9460 8.9511 k = 0.0000 0.0000 0.6821 ( 4288 PWs) bands (ev): -10.7672 -10.7643 -10.0438 -10.0377 -9.8954 -9.8797 -9.2924 -9.2751 -9.1248 -9.1196 -9.0278 -9.0019 -8.0048 -7.9918 -7.5723 -7.5500 -7.3679 -7.3492 -3.2500 -3.2481 -1.7593 -1.7563 -0.2503 -0.2481 0.0178 0.0225 1.0987 1.1001 1.9759 2.0010 2.2299 2.2470 2.8548 2.8651 3.1971 3.2042 3.8053 3.8097 3.9439 3.9506 4.5139 4.5175 7.1612 7.1661 7.6957 7.6991 8.5159 8.5207 8.9248 8.9289 k = 0.0000 0.0000 0.7010 ( 4286 PWs) bands (ev): -10.7657 -10.7635 -10.0432 -10.0385 -9.8921 -9.8803 -9.2898 -9.2766 -9.1241 -9.1201 -9.0219 -9.0022 -8.0101 -8.0002 -7.5694 -7.5520 -7.3717 -7.3571 -3.2362 -3.2347 -1.7701 -1.7678 -0.2521 -0.2505 0.0300 0.0336 1.0830 1.0841 1.9944 2.0156 2.2127 2.2279 2.8582 2.8663 3.2012 3.2065 3.8142 3.8172 3.9641 3.9692 4.5281 4.5309 7.1367 7.1405 7.6874 7.6899 8.5096 8.5135 8.9078 8.9110 k = 0.0000 0.0000 0.7200 ( 4288 PWs) bands (ev): -10.7644 -10.7630 -10.0425 -10.0394 -9.8892 -9.8812 -9.2872 -9.2784 -9.1233 -9.1206 -9.0166 -9.0033 -8.0134 -8.0067 -7.5663 -7.5544 -7.3738 -7.3637 -3.2261 -3.2251 -1.7778 -1.7763 -0.2533 -0.2522 0.0392 0.0416 1.0717 1.0724 2.0103 2.0262 2.1997 2.2116 2.8607 2.8663 3.2047 3.2083 3.8207 3.8225 3.9796 3.9831 4.5385 4.5404 7.1187 7.1213 7.6813 7.6830 8.5054 8.5081 8.8956 8.8978 k = 0.0000 0.0000 0.7389 ( 4292 PWs) bands (ev): -10.7636 -10.7628 -10.0418 -10.0402 -9.8866 -9.8826 -9.2848 -9.2803 -9.1226 -9.1213 -9.0121 -9.0054 -8.0147 -8.0113 -7.5631 -7.5570 -7.3739 -7.3687 -3.2198 -3.2193 -1.7823 -1.7816 -0.2539 -0.2534 0.0450 0.0462 1.0649 1.0653 2.0227 2.0314 2.1927 2.1993 2.8626 2.8655 3.2074 3.2092 3.8247 3.8256 3.9896 3.9914 4.5450 4.5459 7.1079 7.1092 7.6777 7.6786 8.5032 8.5046 8.8883 8.8895 k = 0.0000 0.0000 0.7579 ( 4304 PWs) bands (ev): -10.7630 -10.7630 -10.0410 -10.0410 -9.8844 -9.8844 -9.2825 -9.2825 -9.1219 -9.1219 -9.0083 -9.0083 -8.0140 -8.0140 -7.5600 -7.5600 -7.3722 -7.3722 -3.2176 -3.2176 -1.7836 -1.7836 -0.2540 -0.2540 0.0473 0.0473 1.0627 1.0627 2.0301 2.0301 2.1926 2.1926 2.8642 2.8642 3.2089 3.2089 3.8263 3.8263 3.9936 3.9936 4.5474 4.5474 7.1047 7.1047 7.6768 7.6768 8.5030 8.5030 8.8863 8.8863 k = 0.0000 0.0000 0.7579 ( 4304 PWs) bands (ev): -10.7630 -10.7630 -10.0410 -10.0410 -9.8844 -9.8844 -9.2825 -9.2825 -9.1219 -9.1219 -9.0083 -9.0083 -8.0140 -8.0140 -7.5600 -7.5600 -7.3722 -7.3722 -3.2176 -3.2176 -1.7836 -1.7836 -0.2540 -0.2540 0.0473 0.0473 1.0627 1.0627 2.0301 2.0301 2.1926 2.1926 2.8642 2.8642 3.2089 3.2089 3.8263 3.8263 3.9936 3.9936 4.5474 4.5474 7.1047 7.1047 7.6768 7.6768 8.5030 8.5030 8.8863 8.8863 k =-0.0120 0.0137 0.7579 ( 4292 PWs) bands (ev): -10.7643 -10.7618 -10.0427 -10.0393 -9.8884 -9.8803 -9.2880 -9.2768 -9.1223 -9.1216 -9.0099 -9.0068 -8.0141 -8.0135 -7.5614 -7.5590 -7.3737 -7.3715 -3.2171 -3.2168 -1.7824 -1.7822 -0.2540 -0.2534 0.0473 0.0475 1.0595 1.0616 2.0295 2.0328 2.1873 2.1930 2.8632 2.8695 3.2081 3.2088 3.8230 3.8268 3.9922 3.9962 4.5463 4.5467 7.1060 7.1060 7.6768 7.6780 8.5035 8.5050 8.8865 8.8883 k =-0.0241 0.0274 0.7579 ( 4284 PWs) bands (ev): -10.7657 -10.7606 -10.0441 -10.0375 -9.8924 -9.8760 -9.2935 -9.2712 -9.1227 -9.1212 -9.0116 -9.0053 -8.0137 -8.0124 -7.5633 -7.5585 -7.3762 -7.3718 -3.2153 -3.2146 -1.7787 -1.7781 -0.2536 -0.2523 0.0474 0.0478 1.0520 1.0560 2.0309 2.0375 2.1773 2.1885 2.8666 2.8789 3.2063 3.2078 3.8171 3.8244 3.9920 3.9998 4.5434 4.5442 7.1100 7.1101 7.6779 7.6802 8.5067 8.5096 8.8891 8.8926 k =-0.0361 0.0412 0.7579 ( 4276 PWs) bands (ev): -10.7672 -10.7595 -10.0454 -10.0355 -9.8962 -9.8717 -9.2988 -9.2655 -9.1232 -9.1210 -9.0133 -9.0039 -8.0128 -8.0109 -7.5656 -7.5585 -7.3795 -7.3729 -3.2122 -3.2113 -1.7723 -1.7715 -0.2527 -0.2507 0.0477 0.0482 1.0402 1.0461 2.0340 2.0439 2.1634 2.1796 2.8741 2.8919 3.2037 3.2059 3.8090 3.8191 3.9930 4.0041 4.5388 4.5400 7.1166 7.1167 7.6801 7.6835 8.5123 8.5168 8.8938 8.8989 k =-0.0482 0.0549 0.7579 ( 4276 PWs) bands (ev): -10.7686 -10.7585 -10.0466 -10.0335 -9.8999 -9.8674 -9.3040 -9.2597 -9.1236 -9.1208 -9.0151 -9.0026 -8.0114 -8.0090 -7.5684 -7.5589 -7.3836 -7.3749 -3.2079 -3.2067 -1.7635 -1.7625 -0.2513 -0.2487 0.0481 0.0488 1.0245 1.0321 2.0387 2.0516 2.1464 2.1669 2.8853 2.9076 3.2002 3.2031 3.7989 3.8114 3.9950 4.0087 4.5324 4.5339 7.1257 7.1259 7.6830 7.6876 8.5202 8.5264 8.9006 8.9072 k =-0.0602 0.0686 0.7579 ( 4282 PWs) bands (ev): -10.7701 -10.7576 -10.0475 -10.0315 -9.9035 -9.8630 -9.3090 -9.2540 -9.1242 -9.1206 -9.0169 -9.0014 -8.0096 -8.0066 -7.5715 -7.5598 -7.3885 -7.3778 -3.2024 -3.2009 -1.7522 -1.7509 -0.2494 -0.2461 0.0486 0.0495 1.0050 1.0141 2.0442 2.0598 2.1278 2.1517 2.8994 2.9256 3.1959 3.1995 3.7873 3.8016 3.9976 4.0134 4.5243 4.5262 7.1371 7.1375 7.6864 7.6922 8.5300 8.5380 8.9092 8.9171 k =-0.0723 0.0823 0.7579 ( 4286 PWs) bands (ev): -10.7717 -10.7568 -10.0482 -10.0294 -9.9069 -9.8585 -9.3138 -9.2484 -9.1247 -9.1204 -9.0188 -9.0002 -8.0074 -8.0038 -7.5749 -7.5612 -7.3942 -7.3815 -3.1959 -3.1941 -1.7386 -1.7371 -0.2470 -0.2430 0.0494 0.0504 0.9821 0.9925 2.0491 2.0657 2.1111 2.1360 2.9158 2.9449 3.1909 3.1953 3.7745 3.7900 4.0006 4.0179 4.5145 4.5168 7.1508 7.1512 7.6901 7.6970 8.5414 8.5515 8.9194 8.9283 k =-0.0843 0.0960 0.7579 ( 4278 PWs) bands (ev): -10.7732 -10.7562 -10.0487 -10.0273 -9.9102 -9.8541 -9.3184 -9.2427 -9.1253 -9.1203 -9.0207 -8.9992 -8.0048 -8.0007 -7.5786 -7.5629 -7.4004 -7.3860 -3.1883 -3.1862 -1.7228 -1.7209 -0.2440 -0.2395 0.0503 0.0515 0.9562 0.9676 2.0497 2.0615 2.1048 2.1233 2.9338 2.9649 3.1853 3.1904 3.7607 3.7770 4.0037 4.0222 4.5032 4.5058 7.1664 7.1670 7.6935 7.7015 8.5539 8.5664 8.9306 8.9399 k =-0.0963 0.1097 0.7579 ( 4270 PWs) bands (ev): -10.7748 -10.7556 -10.0490 -10.0251 -9.9134 -9.8497 -9.3228 -9.2372 -9.1259 -9.1203 -9.0226 -8.9983 -8.0018 -7.9973 -7.5825 -7.5651 -7.4073 -7.3911 -3.1799 -3.1775 -1.7048 -1.7027 -0.2405 -0.2353 0.0514 0.0529 0.9274 0.9398 2.0379 2.0494 2.1098 2.1200 2.9525 2.9848 3.1792 3.1853 3.7462 3.7630 4.0067 4.0260 4.4903 4.4932 7.1836 7.1845 7.6962 7.7053 8.5666 8.5820 8.9418 8.9501 k =-0.1084 0.1235 0.7579 ( 4278 PWs) bands (ev): -10.7763 -10.7552 -10.0490 -10.0230 -9.9164 -9.8454 -9.3269 -9.2317 -9.1265 -9.1203 -9.0245 -8.9975 -7.9985 -7.9937 -7.5866 -7.5676 -7.4146 -7.3969 -3.1707 -3.1681 -1.6848 -1.6825 -0.2365 -0.2307 0.0528 0.0544 0.8963 0.9093 2.0163 2.0336 2.1173 2.1287 2.9713 3.0039 3.1728 3.1803 3.7312 3.7483 4.0096 4.0294 4.4760 4.4793 7.2022 7.2033 7.6977 7.7079 8.5787 8.5975 8.9406 8.9533 k =-0.1204 0.1372 0.7579 ( 4278 PWs) bands (ev): -10.7779 -10.7549 -10.0487 -10.0210 -9.9192 -9.8412 -9.3307 -9.2264 -9.1272 -9.1203 -9.0264 -8.9968 -7.9950 -7.9899 -7.5908 -7.5704 -7.4224 -7.4033 -3.1608 -3.1580 -1.6630 -1.6605 -0.2319 -0.2255 0.0543 0.0562 0.8631 0.8766 1.9926 2.0138 2.1276 2.1423 2.9893 3.0212 3.1667 3.1761 3.7158 3.7329 4.0121 4.0323 4.4604 4.4639 7.2216 7.2231 7.6975 7.7088 8.5888 8.6120 8.9136 8.9462 k =-0.1325 0.1509 0.7579 ( 4282 PWs) bands (ev): -10.7794 -10.7547 -10.0482 -10.0189 -9.9220 -9.8371 -9.3341 -9.2212 -9.1279 -9.1204 -9.0284 -8.9962 -7.9913 -7.9859 -7.5950 -7.5735 -7.4305 -7.4102 -3.1505 -3.1474 -1.6396 -1.6368 -0.2268 -0.2199 0.0562 0.0583 0.8283 0.8420 1.9690 1.9924 2.1403 2.1575 3.0053 3.0358 3.1613 3.1737 3.7002 3.7173 4.0143 4.0347 4.4436 4.4474 7.2414 7.2434 7.6953 7.7075 8.5957 8.6241 8.8873 8.9242 k =-0.1445 0.1646 0.7579 ( 4280 PWs) bands (ev): -10.7809 -10.7547 -10.0475 -10.0169 -9.9245 -9.8332 -9.3371 -9.2162 -9.1286 -9.1204 -9.0302 -8.9957 -7.9875 -7.9819 -7.5992 -7.5768 -7.4388 -7.4174 -3.1397 -3.1365 -1.6146 -1.6116 -0.2211 -0.2137 0.0583 0.0607 0.7921 0.8060 1.9461 1.9708 2.1542 2.1734 3.0181 3.0463 3.1575 3.1744 3.6845 3.7014 4.0162 4.0366 4.4257 4.4297 7.2612 7.2636 7.6905 7.7036 8.5981 8.6327 8.8667 8.9004 k =-0.1566 0.1783 0.7579 ( 4272 PWs) bands (ev): -10.7824 -10.7547 -10.0464 -10.0149 -9.9270 -9.8295 -9.3398 -9.2113 -9.1293 -9.1206 -9.0321 -8.9954 -7.9837 -7.9779 -7.6033 -7.5802 -7.4472 -7.4251 -3.1288 -3.1254 -1.5884 -1.5852 -0.2150 -0.2071 0.0608 0.0634 0.7550 0.7688 1.9245 1.9500 2.1690 2.1895 3.0257 3.0520 3.1569 3.1789 3.6689 3.6856 4.0177 4.0381 4.4068 4.4111 7.2801 7.2833 7.6831 7.6969 8.5958 8.6368 8.8523 8.8800 k =-0.1686 0.1920 0.7579 ( 4282 PWs) bands (ev): -10.7838 -10.7550 -10.0451 -10.0130 -9.9292 -9.8261 -9.3420 -9.2067 -9.1301 -9.1207 -9.0339 -8.9952 -7.9799 -7.9740 -7.6072 -7.5837 -7.4557 -7.4329 -3.1178 -3.1142 -1.5611 -1.5576 -0.2083 -0.2001 0.0635 0.0664 0.7173 0.7310 1.9047 1.9306 2.1841 2.2056 3.0272 3.0524 3.1606 3.1872 3.6532 3.6698 4.0188 4.0391 4.3871 4.3916 7.2977 7.3018 7.6729 7.6871 8.5896 8.6362 8.8428 8.8642 k =-0.1806 0.2058 0.7579 ( 4282 PWs) bands (ev): -10.7852 -10.7553 -10.0436 -10.0112 -9.9313 -9.8229 -9.3437 -9.2022 -9.1310 -9.1209 -9.0357 -8.9951 -7.9763 -7.9703 -7.6108 -7.5871 -7.4642 -7.4409 -3.1069 -3.1032 -1.5329 -1.5293 -0.2013 -0.1927 0.0665 0.0698 0.6795 0.6929 1.8868 1.9129 2.1992 2.2217 3.0229 3.0480 3.1686 3.1983 3.6378 3.6543 4.0197 4.0397 4.3667 4.3714 7.3131 7.3183 7.6603 7.6746 8.5809 8.6317 8.8355 8.8517 k =-0.1927 0.2195 0.7579 ( 4280 PWs) bands (ev): -10.7866 -10.7558 -10.0418 -10.0094 -9.9332 -9.8201 -9.3450 -9.1981 -9.1319 -9.1211 -9.0374 -8.9952 -7.9729 -7.9669 -7.6141 -7.5905 -7.4725 -7.4490 -3.0962 -3.0923 -1.5041 -1.5002 -0.1938 -0.1849 0.0697 0.0734 0.6420 0.6549 1.8712 1.8973 2.2142 2.2373 3.0140 3.0396 3.1801 3.2111 3.6225 3.6391 4.0202 4.0399 4.3458 4.3507 7.3255 7.3323 7.6456 7.6596 8.5713 8.6245 8.8280 8.8408 k =-0.1927 0.2195 0.7579 ( 4280 PWs) bands (ev): -10.7866 -10.7558 -10.0418 -10.0094 -9.9332 -9.8201 -9.3450 -9.1981 -9.1319 -9.1211 -9.0374 -8.9952 -7.9729 -7.9669 -7.6141 -7.5905 -7.4725 -7.4490 -3.0962 -3.0923 -1.5041 -1.5002 -0.1938 -0.1849 0.0697 0.0734 0.6420 0.6549 1.8712 1.8973 2.2142 2.2373 3.0140 3.0396 3.1801 3.2111 3.6225 3.6391 4.0202 4.0399 4.3458 4.3507 7.3255 7.3323 7.6456 7.6596 8.5713 8.6245 8.8280 8.8408 k =-0.2012 0.2292 0.7449 ( 4275 PWs) bands (ev): -10.7876 -10.7564 -10.0402 -10.0077 -9.9353 -9.8181 -9.3453 -9.1952 -9.1336 -9.1210 -9.0363 -8.9967 -7.9725 -7.9658 -7.6162 -7.5936 -7.4767 -7.4515 -3.0909 -3.0869 -1.4805 -1.4767 -0.1830 -0.1740 0.0635 0.0683 0.6168 0.6285 1.8649 1.8931 2.2272 2.2541 2.9994 3.0236 3.1694 3.2011 3.6244 3.6423 4.0302 4.0476 4.3279 4.3334 7.3276 7.3355 7.6352 7.6496 8.5780 8.6344 8.8152 8.8213 k =-0.2098 0.2389 0.7320 ( 4268 PWs) bands (ev): -10.7886 -10.7571 -10.0384 -10.0061 -9.9373 -9.8165 -9.3452 -9.1925 -9.1355 -9.1210 -9.0356 -8.9984 -7.9717 -7.9643 -7.6189 -7.5979 -7.4790 -7.4528 -3.0872 -3.0831 -1.4556 -1.4520 -0.1713 -0.1623 0.0551 0.0611 0.5941 0.6045 1.8562 1.8859 2.2450 2.2751 2.9813 3.0038 3.1613 3.1926 3.6250 3.6442 4.0362 4.0513 4.3115 4.3179 7.3292 7.3385 7.6259 7.6404 8.5775 8.6359 8.8094 8.8129 k =-0.2183 0.2486 0.7191 ( 4270 PWs) bands (ev): -10.7897 -10.7579 -10.0366 -10.0045 -9.9392 -9.8155 -9.3449 -9.1900 -9.1374 -9.1210 -9.0351 -9.0002 -7.9705 -7.9626 -7.6221 -7.6032 -7.4796 -7.4528 -3.0850 -3.0809 -1.4297 -1.4262 -0.1589 -0.1499 0.0445 0.0518 0.5739 0.5830 1.8457 1.8763 2.2670 2.2999 2.9595 2.9800 3.1566 3.1863 3.6243 3.6448 4.0374 4.0503 4.2977 4.3052 7.3299 7.3408 7.6176 7.6323 8.5690 8.6268 8.8104 8.8176 k =-0.2268 0.2584 0.7061 ( 4269 PWs) bands (ev): -10.7907 -10.7589 -10.0346 -10.0030 -9.9410 -9.8150 -9.3442 -9.1877 -9.1393 -9.1211 -9.0350 -9.0021 -7.9688 -7.9607 -7.6257 -7.6093 -7.4785 -7.4517 -3.0842 -3.0799 -1.4031 -1.3996 -0.1459 -0.1369 0.0320 0.0405 0.5563 0.5641 1.8337 1.8650 2.2927 2.3278 2.9340 2.9527 3.1553 3.1828 3.6220 3.6440 4.0330 4.0445 4.2874 4.2962 7.3295 7.3422 7.6105 7.6254 8.5536 8.6089 8.8200 8.8297 k =-0.2354 0.2681 0.6932 ( 4277 PWs) bands (ev): -10.7917 -10.7599 -10.0326 -10.0016 -9.9427 -9.8149 -9.3432 -9.1855 -9.1412 -9.1211 -9.0353 -9.0040 -7.9669 -7.9587 -7.6298 -7.6160 -7.4763 -7.4497 -3.0845 -3.0801 -1.3761 -1.3726 -0.1327 -0.1237 0.0180 0.0276 0.5411 0.5479 1.8209 1.8524 2.3213 2.3583 2.9050 2.9224 3.1570 3.1821 3.6183 3.6415 4.0229 4.0337 4.2810 4.2910 7.3279 7.3426 7.6045 7.6196 8.5335 8.5855 8.8350 8.8456 k =-0.2439 0.2778 0.6802 ( 4282 PWs) bands (ev): -10.7926 -10.7610 -10.0306 -10.0003 -9.9441 -9.8153 -9.3421 -9.1836 -9.1430 -9.1212 -9.0360 -9.0057 -7.9647 -7.9565 -7.6342 -7.6228 -7.4733 -7.4468 -3.0857 -3.0812 -1.3490 -1.3455 -0.1199 -0.1109 0.0034 0.0139 0.5282 0.5342 1.8076 1.8391 2.3523 2.3909 2.8732 2.8900 3.1615 3.1841 3.6132 3.6375 4.0078 4.0186 4.2783 4.2892 7.3252 7.3420 7.5994 7.6148 8.5108 8.5593 8.8521 8.8625 k =-0.2524 0.2875 0.6673 ( 4279 PWs) bands (ev): -10.7935 -10.7622 -10.0285 -9.9991 -9.9453 -9.8161 -9.3407 -9.1819 -9.1448 -9.1213 -9.0371 -9.0073 -7.9624 -7.9541 -7.6391 -7.6294 -7.4696 -7.4434 -3.0877 -3.0832 -1.3221 -1.3185 -0.1088 -0.0999 -0.0102 0.0008 0.5172 0.5229 1.7941 1.8254 2.3851 2.4251 2.8394 2.8562 3.1682 3.1885 3.6065 3.6319 3.9887 4.0001 4.2786 4.2901 7.3218 7.3406 7.5952 7.6108 8.4868 8.5322 8.8691 8.8788 k =-0.2610 0.2973 0.6544 ( 4275 PWs) bands (ev): -10.7943 -10.7634 -10.0265 -9.9981 -9.9461 -9.8173 -9.3392 -9.1804 -9.1464 -9.1214 -9.0386 -9.0086 -7.9599 -7.9517 -7.6445 -7.6354 -7.4657 -7.4396 -3.0903 -3.0856 -1.2958 -1.2922 -0.1020 -0.0934 -0.0198 -0.0089 0.5080 0.5137 1.7808 1.8117 2.4194 2.4606 2.8044 2.8217 3.1769 3.1950 3.5983 3.6247 3.9670 3.9792 4.2810 4.2927 7.3178 7.3387 7.5917 7.6075 8.4626 8.5051 8.8846 8.8932 k =-0.2695 0.3070 0.6414 ( 4275 PWs) bands (ev): -10.7950 -10.7645 -10.0246 -9.9974 -9.9466 -9.8187 -9.3377 -9.1791 -9.1478 -9.1215 -9.0405 -9.0095 -7.9574 -7.9492 -7.6504 -7.6404 -7.4618 -7.4357 -3.0932 -3.0885 -1.2705 -1.2668 -0.1037 -0.0949 -0.0213 -0.0111 0.5004 0.5064 1.7678 1.7982 2.4547 2.4969 2.7689 2.7868 3.1873 3.2034 3.5888 3.6159 3.9438 3.9568 4.2847 4.2963 7.3136 7.3366 7.5885 7.6045 8.4389 8.4788 8.8980 8.9055 k =-0.2780 0.3167 0.6285 ( 4277 PWs) bands (ev): -10.7956 -10.7657 -10.0228 -9.9970 -9.9467 -9.8203 -9.3361 -9.1780 -9.1490 -9.1216 -9.0427 -9.0102 -7.9548 -7.9466 -7.6565 -7.6446 -7.4580 -7.4319 -3.0962 -3.0915 -1.2465 -1.2428 -0.1142 -0.1048 -0.0142 -0.0046 0.4941 0.5005 1.7554 1.7850 2.4907 2.5337 2.7336 2.7523 3.1990 3.2134 3.5779 3.6056 3.9200 3.9341 4.2889 4.3004 7.3096 7.3345 7.5856 7.6018 8.4162 8.4536 8.9088 8.9155 k =-0.2866 0.3264 0.6155 ( 4279 PWs) bands (ev): -10.7962 -10.7667 -10.0210 -9.9968 -9.9464 -9.8221 -9.3346 -9.1773 -9.1498 -9.1217 -9.0452 -9.0106 -7.9524 -7.9439 -7.6625 -7.6481 -7.4545 -7.4283 -3.0993 -3.0945 -1.2242 -1.2205 -0.1300 -0.1203 -0.0018 0.0076 0.4889 0.4958 1.7437 1.7724 2.5271 2.5706 2.6992 2.7185 3.2120 3.2247 3.5658 3.5937 3.8965 3.9116 4.2931 4.3043 7.3060 7.3329 7.5828 7.5991 8.3948 8.4300 8.9171 8.9237 k =-0.2951 0.3362 0.6026 ( 4283 PWs) bands (ev): -10.7966 -10.7677 -10.0195 -9.9970 -9.9457 -9.8239 -9.3333 -9.1767 -9.1503 -9.1218 -9.0479 -9.0107 -7.9500 -7.9412 -7.6679 -7.6509 -7.4514 -7.4251 -3.1021 -3.0972 -1.2042 -1.2003 -0.1476 -0.1381 0.0132 0.0225 0.4845 0.4919 1.7328 1.7606 2.5634 2.6062 2.6672 2.6860 3.2259 3.2370 3.5524 3.5804 3.8739 3.8902 4.2970 4.3079 7.3032 7.3318 7.5800 7.5963 8.3751 8.4082 8.9231 8.9303 k =-0.3037 0.3459 0.5897 ( 4283 PWs) bands (ev): -10.7970 -10.7685 -10.0181 -9.9975 -9.9446 -9.8258 -9.3321 -9.1764 -9.1503 -9.1219 -9.0507 -9.0106 -7.9478 -7.9385 -7.6728 -7.6532 -7.4489 -7.4225 -3.1045 -3.0997 -1.1867 -1.1828 -0.1654 -0.1563 0.0294 0.0386 0.4808 0.4887 1.7230 1.7496 2.5983 2.6238 2.6524 2.6582 3.2405 3.2501 3.5380 3.5657 3.8529 3.8705 4.3002 4.3109 7.3014 7.3317 7.5773 7.5935 8.3571 8.3883 8.9275 8.9356 k =-0.3122 0.3556 0.5767 ( 4289 PWs) bands (ev): -10.7973 -10.7692 -10.0169 -9.9983 -9.9433 -9.8275 -9.3312 -9.1764 -9.1501 -9.1219 -9.0536 -9.0103 -7.9458 -7.9359 -7.6770 -7.6548 -7.4471 -7.4206 -3.1065 -3.1016 -1.1723 -1.1682 -0.1823 -0.1740 0.0458 0.0549 0.4776 0.4859 1.7143 1.7396 2.5967 2.6195 2.6426 2.6865 3.2556 3.2637 3.5226 3.5497 3.8339 3.8529 4.3027 4.3130 7.3008 7.3327 7.5745 7.5905 8.3412 8.3707 8.9307 8.9401 k =-0.3207 0.3653 0.5638 ( 4288 PWs) bands (ev): -10.7975 -10.7698 -10.0159 -9.9992 -9.9418 -9.8291 -9.3306 -9.1764 -9.1494 -9.1219 -9.0564 -9.0098 -7.9439 -7.9334 -7.6804 -7.6558 -7.4460 -7.4195 -3.1079 -3.1030 -1.1612 -1.1569 -0.1977 -0.1903 0.0619 0.0710 0.4747 0.4834 1.7068 1.7307 2.5693 2.5948 2.6746 2.7217 3.2710 3.2776 3.5065 3.5327 3.8175 3.8378 4.3043 4.3143 7.3015 7.3349 7.5717 7.5875 8.3273 8.3553 8.9331 8.9438 k =-0.3293 0.3751 0.5508 ( 4286 PWs) bands (ev): -10.7977 -10.7702 -10.0151 -10.0003 -9.9403 -9.8305 -9.3303 -9.1765 -9.1485 -9.1219 -9.0591 -9.0091 -7.9423 -7.9311 -7.6830 -7.6561 -7.4456 -7.4193 -3.1086 -3.1037 -1.1539 -1.1492 -0.2109 -0.2046 0.0774 0.0864 0.4720 0.4811 1.7007 1.7231 2.5428 2.5692 2.7090 2.7569 3.2863 3.2914 3.4898 3.5148 3.8040 3.8257 4.3049 4.3146 7.3036 7.3383 7.5689 7.5844 8.3156 8.3423 8.9352 8.9471 k =-0.3378 0.3848 0.5379 ( 4286 PWs) bands (ev): -10.7977 -10.7704 -10.0147 -10.0013 -9.9387 -9.8316 -9.3303 -9.1767 -9.1474 -9.1219 -9.0616 -9.0084 -7.9408 -7.9290 -7.6846 -7.6557 -7.4461 -7.4199 -3.1086 -3.1037 -1.1504 -1.1453 -0.2218 -0.2166 0.0920 0.1008 0.4696 0.4790 1.6961 1.7168 2.5180 2.5452 2.7429 2.7913 3.3014 3.3050 3.4729 3.4963 3.7936 3.8168 4.3047 4.3141 7.3072 7.3431 7.5662 7.5814 8.3063 8.3318 8.9371 8.9502 k =-0.3463 0.3945 0.5250 ( 4289 PWs) bands (ev): -10.7977 -10.7704 -10.0146 -10.0023 -9.9373 -9.8323 -9.3307 -9.1769 -9.1460 -9.1218 -9.0639 -9.0075 -7.9396 -7.9272 -7.6854 -7.6547 -7.4473 -7.4215 -3.1078 -3.1030 -1.1508 -1.1454 -0.2302 -0.2260 0.1052 0.1139 0.4674 0.4772 1.6930 1.7121 2.4951 2.5230 2.7757 2.8246 3.3158 3.3182 3.4561 3.4777 3.7866 3.8113 4.3036 4.3127 7.3121 7.3491 7.5635 7.5784 8.2993 8.3240 8.9389 8.9531 k =-0.3463 0.3945 0.5250 ( 4289 PWs) bands (ev): -10.7977 -10.7704 -10.0146 -10.0023 -9.9373 -9.8323 -9.3307 -9.1769 -9.1460 -9.1218 -9.0639 -9.0075 -7.9396 -7.9272 -7.6854 -7.6547 -7.4473 -7.4215 -3.1078 -3.1030 -1.1508 -1.1454 -0.2302 -0.2260 0.1052 0.1139 0.4674 0.4772 1.6930 1.7121 2.4951 2.5230 2.7757 2.8246 3.3158 3.3182 3.4561 3.4777 3.7866 3.8113 4.3036 4.3127 7.3121 7.3491 7.5635 7.5784 8.2993 8.3240 8.9389 8.9531 k =-0.3375 0.3844 0.5115 ( 4289 PWs) bands (ev): -10.7978 -10.7705 -10.0172 -10.0033 -9.9372 -9.8350 -9.3330 -9.1782 -9.1457 -9.1213 -9.0676 -9.0080 -7.9337 -7.9195 -7.6891 -7.6569 -7.4336 -7.4073 -3.1281 -3.1231 -1.1549 -1.1493 -0.2493 -0.2448 0.1054 0.1131 0.4974 0.5083 1.6635 1.6839 2.5014 2.5293 2.7948 2.8431 3.2993 3.3060 3.4643 3.4841 3.7675 3.7935 4.3174 4.3265 7.3454 7.3821 7.5826 7.5978 8.2969 8.3235 9.0108 9.0243 k =-0.3286 0.3743 0.4980 ( 4285 PWs) bands (ev): -10.7979 -10.7709 -10.0197 -10.0042 -9.9371 -9.8385 -9.3349 -9.1799 -9.1455 -9.1210 -9.0714 -9.0088 -7.9277 -7.9115 -7.6913 -7.6580 -7.4193 -7.3928 -3.1507 -3.1456 -1.1588 -1.1529 -0.2684 -0.2637 0.1033 0.1103 0.5325 0.5445 1.6368 1.6584 2.5044 2.5316 2.8172 2.8643 3.2824 3.2918 3.4683 3.4883 3.7495 3.7764 4.3286 4.3376 7.3804 7.4163 7.6031 7.6185 8.2944 8.3228 9.0823 9.0950 k =-0.3197 0.3642 0.4846 ( 4287 PWs) bands (ev): -10.7982 -10.7716 -10.0221 -10.0051 -9.9369 -9.8427 -9.3362 -9.1823 -9.1453 -9.1207 -9.0755 -9.0098 -7.9214 -7.9031 -7.6921 -7.6578 -7.4047 -7.3780 -3.1756 -3.1703 -1.1623 -1.1563 -0.2874 -0.2825 0.0996 0.1058 0.5722 0.5851 1.6128 1.6354 2.5038 2.5300 2.8426 2.8879 3.2663 3.2773 3.4672 3.4887 3.7327 3.7603 4.3367 4.3457 7.4166 7.4513 7.6252 7.6406 8.2924 8.3226 9.1521 9.1632 k =-0.3108 0.3540 0.4711 ( 4281 PWs) bands (ev): -10.7985 -10.7727 -10.0243 -10.0060 -9.9366 -9.8477 -9.3372 -9.1852 -9.1452 -9.1206 -9.0796 -9.0111 -7.9147 -7.8944 -7.6914 -7.6565 -7.3897 -7.3629 -3.2026 -3.1972 -1.1656 -1.1594 -0.3063 -0.3011 0.0944 0.1000 0.6158 0.6296 1.5914 1.6151 2.4997 2.5246 2.8704 2.9139 3.2517 3.2635 3.4613 3.4848 3.7170 3.7449 4.3416 4.3504 7.4538 7.4863 7.6488 7.6640 8.2917 8.3238 9.2159 9.2248 k =-0.3019 0.3439 0.4577 ( 4283 PWs) bands (ev): -10.7990 -10.7740 -10.0264 -10.0068 -9.9364 -9.8533 -9.3378 -9.1888 -9.1451 -9.1205 -9.0837 -9.0127 -7.9076 -7.8852 -7.6892 -7.6540 -7.3744 -7.3476 -3.2315 -3.2261 -1.1684 -1.1620 -0.3251 -0.3196 0.0883 0.0932 0.6628 0.6774 1.5725 1.5971 2.4924 2.5160 2.9002 2.9418 3.2387 3.2508 3.4511 3.4769 3.7022 3.7301 4.3429 4.3517 7.4913 7.5208 7.6741 7.6891 8.2930 8.3269 9.2581 9.2675 k =-0.2931 0.3338 0.4442 ( 4275 PWs) bands (ev): -10.7996 -10.7757 -10.0283 -10.0077 -9.9361 -9.8595 -9.3380 -9.1930 -9.1450 -9.1206 -9.0878 -9.0146 -7.9000 -7.8755 -7.6856 -7.6504 -7.3589 -7.3321 -3.2624 -3.2569 -1.1708 -1.1642 -0.3435 -0.3379 0.0815 0.0859 0.7125 0.7279 1.5561 1.5815 2.4823 2.5048 2.9313 2.9713 3.2272 3.2390 3.4377 3.4658 3.6880 3.7155 4.3406 4.3493 7.5285 7.5539 7.7011 7.7163 8.2968 8.3325 9.2582 9.2685 k =-0.2842 0.3237 0.4307 ( 4285 PWs) bands (ev): -10.8004 -10.7777 -10.0300 -10.0085 -9.9359 -9.8663 -9.3379 -9.1980 -9.1450 -9.1208 -9.0917 -9.0167 -7.8918 -7.8653 -7.6807 -7.6459 -7.3432 -7.3165 -3.2949 -3.2893 -1.1725 -1.1658 -0.3618 -0.3559 0.0742 0.0781 0.7641 0.7802 1.5418 1.5680 2.4701 2.4917 2.9630 3.0018 3.2168 3.2279 3.4226 3.4526 3.6741 3.7009 4.3345 4.3432 7.5645 7.5849 7.7298 7.7461 8.3035 8.3410 9.2323 9.2407 k =-0.2753 0.3136 0.4173 ( 4289 PWs) bands (ev): -10.8014 -10.7800 -10.0316 -10.0094 -9.9358 -9.8734 -9.3376 -9.2037 -9.1449 -9.1211 -9.0953 -9.0191 -7.8828 -7.8544 -7.6746 -7.6404 -7.3273 -7.3008 -3.3289 -3.3233 -1.1736 -1.1666 -0.3797 -0.3736 0.0667 0.0702 0.8170 0.8338 1.5294 1.5562 2.4567 2.4776 2.9946 3.0327 3.2067 3.2166 3.4075 3.4388 3.6604 3.6861 4.3246 4.3333 7.5986 7.6131 7.7601 7.7787 8.3132 8.3526 9.1953 9.2022 k =-0.2664 0.3035 0.4038 ( 4287 PWs) bands (ev): -10.8026 -10.7827 -10.0329 -10.0102 -9.9358 -9.8810 -9.3371 -9.2100 -9.1448 -9.1215 -9.0986 -9.0219 -7.8730 -7.8428 -7.6674 -7.6341 -7.3114 -7.2851 -3.3643 -3.3587 -1.1738 -1.1667 -0.3972 -0.3909 0.0592 0.0623 0.8703 0.8877 1.5186 1.5458 2.4431 2.4636 3.0252 3.0631 3.1958 3.2042 3.3945 3.4262 3.6468 3.6710 4.3110 4.3198 7.6299 7.6384 7.7922 7.8139 8.3258 8.3670 9.1524 9.1580 k =-0.2575 0.2934 0.3904 ( 4289 PWs) bands (ev): -10.8041 -10.7857 -10.0341 -10.0110 -9.9359 -9.8888 -9.3364 -9.2170 -9.1447 -9.1219 -9.1015 -9.0248 -7.8624 -7.8305 -7.6593 -7.6270 -7.2954 -7.2695 -3.4008 -3.3952 -1.1731 -1.1658 -0.4144 -0.4079 0.0517 0.0546 0.9232 0.9412 1.5088 1.5364 2.4306 2.4508 3.0539 3.0922 3.1828 3.1896 3.3857 3.4164 3.6335 3.6561 4.2937 4.3028 7.6577 7.6611 7.8259 7.8510 8.3409 8.3841 9.1056 9.1099 k =-0.2487 0.2832 0.3769 ( 4285 PWs) bands (ev): -10.8057 -10.7890 -10.0351 -10.0119 -9.9362 -9.8969 -9.3356 -9.2246 -9.1446 -9.1225 -9.1041 -9.0281 -7.8508 -7.8174 -7.6505 -7.6194 -7.2795 -7.2539 -3.4383 -3.4327 -1.1713 -1.1638 -0.4311 -0.4244 0.0445 0.0472 0.9748 0.9933 1.4995 1.5275 2.4205 2.4405 3.0793 3.1182 3.1666 3.1720 3.3831 3.4114 3.6211 3.6416 4.2731 4.2825 7.6797 7.6832 7.8611 7.8891 8.3578 8.4029 9.0566 9.0596 k =-0.2398 0.2731 0.3634 ( 4289 PWs) bands (ev): -10.8076 -10.7926 -10.0359 -10.0127 -9.9366 -9.9050 -9.3348 -9.2325 -9.1444 -9.1231 -9.1064 -9.0315 -7.8382 -7.8035 -7.6410 -7.6112 -7.2637 -7.2386 -3.4765 -3.4710 -1.1682 -1.1606 -0.4474 -0.4405 0.0375 0.0401 1.0242 1.0430 1.4901 1.5183 2.4142 2.4339 3.1005 3.1366 3.1464 3.1546 3.3880 3.4125 3.6101 3.6281 4.2495 4.2593 7.6966 7.7039 7.8973 7.9274 8.3752 8.4222 9.0074 9.0091 k =-0.2309 0.2630 0.3500 ( 4285 PWs) bands (ev): -10.8097 -10.7964 -10.0366 -10.0136 -9.9373 -9.9132 -9.3339 -9.2407 -9.1442 -9.1238 -9.1083 -9.0351 -7.8247 -7.7888 -7.6310 -7.6027 -7.2481 -7.2234 -3.5154 -3.5099 -1.1638 -1.1561 -0.4631 -0.4561 0.0310 0.0335 1.0703 1.0892 1.4798 1.5085 2.4130 2.4325 3.1163 3.1213 3.1228 3.1616 3.4005 3.4207 3.6009 3.6164 4.2232 4.2336 7.7106 7.7212 7.9336 7.9653 8.3913 8.4399 8.9597 8.9614 k =-0.2220 0.2529 0.3365 ( 4291 PWs) bands (ev): -10.8120 -10.8005 -10.0372 -10.0144 -9.9382 -9.9212 -9.3331 -9.2491 -9.1439 -9.1245 -9.1100 -9.0389 -7.8102 -7.7735 -7.6206 -7.5937 -7.2326 -7.2084 -3.5546 -3.5493 -1.1580 -1.1502 -0.4784 -0.4711 0.0250 0.0275 1.1121 1.1307 1.4683 1.4976 2.4183 2.4373 3.0930 3.0959 3.1267 3.1722 3.4198 3.4361 3.5941 3.6070 4.1947 4.2058 7.7214 7.7346 7.9696 8.0022 8.4033 8.4528 8.9171 8.9197 k =-0.2131 0.2428 0.3231 ( 4291 PWs) bands (ev): -10.8146 -10.8048 -10.0376 -10.0153 -9.9395 -9.9289 -9.3323 -9.2576 -9.1436 -9.1252 -9.1114 -9.0429 -7.7948 -7.7574 -7.6099 -7.5846 -7.2174 -7.1938 -3.5941 -3.5888 -1.1506 -1.1427 -0.4931 -0.4857 0.0196 0.0220 1.1485 1.1663 1.4551 1.4856 2.4311 2.4494 3.0620 3.0661 3.1316 3.1773 3.4444 3.4581 3.5896 3.6006 4.1647 4.1767 7.7289 7.7441 8.0046 8.0376 8.4079 8.4567 8.8841 8.8877 k =-0.2043 0.2327 0.3096 ( 4283 PWs) bands (ev): -10.8174 -10.8094 -10.0379 -10.0163 -9.9417 -9.9358 -9.3316 -9.2660 -9.1433 -9.1259 -9.1127 -9.0469 -7.7785 -7.7407 -7.5990 -7.5753 -7.2025 -7.1795 -3.6337 -3.6284 -1.1415 -1.1335 -0.5072 -0.4997 0.0147 0.0172 1.1781 1.1945 1.4405 1.4728 2.4519 2.4693 3.0293 3.0343 3.1320 3.1774 3.4725 3.4850 3.5874 3.5981 4.1337 4.1468 7.7326 7.7491 8.0381 8.0712 8.4016 8.4477 8.8646 8.8695 k =-0.1954 0.2225 0.2961 ( 4283 PWs) bands (ev): -10.8205 -10.8140 -10.0381 -10.0172 -9.9464 -9.9400 -9.3310 -9.2742 -9.1429 -9.1266 -9.1138 -9.0511 -7.7615 -7.7236 -7.5881 -7.5659 -7.1879 -7.1655 -3.6731 -3.6679 -1.1307 -1.1226 -0.5206 -0.5130 0.0106 0.0131 1.1990 1.2138 1.4254 1.4605 2.4808 2.4972 2.9955 3.0010 3.1287 3.1734 3.5026 3.5147 3.5875 3.5999 4.1025 4.1170 7.7319 7.7494 8.0693 8.1027 8.3828 8.4241 8.8599 8.8677 k =-0.1865 0.2124 0.2827 ( 4285 PWs) bands (ev): -10.8237 -10.8188 -10.0382 -10.0183 -9.9529 -9.9424 -9.3305 -9.2822 -9.1425 -9.1272 -9.1148 -9.0552 -7.7437 -7.7059 -7.5771 -7.5565 -7.1737 -7.1520 -3.7123 -3.7072 -1.1180 -1.1099 -0.5334 -0.5258 0.0071 0.0097 1.2089 1.2225 1.4120 1.4504 2.5174 2.5326 2.9613 2.9669 3.1227 3.1664 3.5326 3.5438 3.5906 3.6073 4.0719 4.0881 7.7266 7.7445 8.0974 8.1316 8.3528 8.3881 8.8689 8.8807 k =-0.1776 0.2023 0.2692 ( 4289 PWs) bands (ev): -10.8272 -10.8237 -10.0382 -10.0194 -9.9595 -9.9446 -9.3302 -9.2898 -9.1420 -9.1278 -9.1156 -9.0594 -7.7254 -7.6880 -7.5662 -7.5471 -7.1599 -7.1390 -3.7510 -3.7460 -1.1036 -1.0954 -0.5456 -0.5379 0.0044 0.0070 1.2055 1.2190 1.4027 1.4441 2.5605 2.5746 2.9275 2.9328 3.1151 3.1576 3.5587 3.5670 3.6001 3.6230 4.0428 4.0613 7.7160 7.7341 8.1203 8.1569 8.3159 8.3449 8.8890 8.9048 k =-0.1687 0.1922 0.2558 ( 4293 PWs) bands (ev): -10.8308 -10.8287 -10.0382 -10.0205 -9.9657 -9.9469 -9.3300 -9.2970 -9.1415 -9.1282 -9.1165 -9.0636 -7.7066 -7.6698 -7.5554 -7.5379 -7.1466 -7.1265 -3.7891 -3.7841 -1.0872 -1.0790 -0.5570 -0.5493 0.0023 0.0049 1.1889 1.2028 1.3987 1.4418 2.6085 2.6217 2.8948 2.8994 3.1066 3.1477 3.5753 3.5798 3.6213 3.6484 4.0163 4.0375 7.6999 7.7178 8.1334 8.1752 8.2788 8.3022 8.9168 8.9359 k =-0.1598 0.1821 0.2423 ( 4299 PWs) bands (ev): -10.8345 -10.8336 -10.0381 -10.0217 -9.9714 -9.9493 -9.3300 -9.3037 -9.1410 -9.1286 -9.1172 -9.0677 -7.6875 -7.6515 -7.5448 -7.5288 -7.1338 -7.1145 -3.8264 -3.8216 -1.0689 -1.0607 -0.5677 -0.5601 0.0010 0.0036 1.1613 1.1755 1.3991 1.4423 2.6585 2.6716 2.8653 2.8682 3.0982 3.1376 3.5834 3.5871 3.6500 3.6797 3.9934 4.0180 7.6782 7.6956 8.1279 8.1737 8.2548 8.2737 8.9496 8.9713 k =-0.1510 0.1720 0.2288 ( 4297 PWs) bands (ev): -10.8386 -10.8384 -10.0379 -10.0231 -9.9767 -9.9520 -9.3302 -9.3099 -9.1404 -9.1290 -9.1179 -9.0717 -7.6681 -7.6332 -7.5344 -7.5199 -7.1216 -7.1031 -3.8628 -3.8581 -1.0487 -1.0405 -0.5777 -0.5702 0.0003 0.0029 1.1255 1.1395 1.4016 1.4438 2.7043 2.7189 2.8429 2.8438 3.0903 3.1277 3.5879 3.5919 3.6803 3.7126 3.9752 4.0037 7.6509 7.6676 8.0992 8.1397 8.2561 8.2679 8.9854 9.0090 k =-0.1421 0.1618 0.2154 ( 4293 PWs) bands (ev): -10.8435 -10.8424 -10.0377 -10.0245 -9.9813 -9.9548 -9.3307 -9.3154 -9.1398 -9.1292 -9.1186 -9.0757 -7.6487 -7.6151 -7.5242 -7.5113 -7.1099 -7.0923 -3.8981 -3.8935 -1.0268 -1.0186 -0.5870 -0.5796 0.0003 0.0028 1.0837 1.0974 1.4044 1.4452 2.7299 2.7470 2.8394 2.8444 3.0835 3.1186 3.5911 3.5948 3.7099 3.7448 3.9629 3.9953 7.6182 7.6340 8.0565 8.0904 8.2679 8.2754 9.0226 9.0477 k =-0.1332 0.1517 0.2019 ( 4299 PWs) bands (ev): -10.8483 -10.8464 -10.0375 -10.0259 -9.9854 -9.9578 -9.3314 -9.3203 -9.1391 -9.1294 -9.1193 -9.0796 -7.6294 -7.5974 -7.5144 -7.5030 -7.0987 -7.0821 -3.9323 -3.9278 -1.0030 -0.9949 -0.5955 -0.5883 0.0008 0.0033 1.0376 1.0510 1.4066 1.4456 2.7243 2.7392 2.8721 2.8769 3.0783 3.1105 3.5943 3.5969 3.7381 3.7749 3.9572 3.9931 7.5805 7.5952 8.0086 8.0378 8.2805 8.2865 9.0602 9.0865 k =-0.1243 0.1416 0.1884 ( 4303 PWs) bands (ev): -10.8529 -10.8504 -10.0373 -10.0275 -9.9890 -9.9608 -9.3325 -9.3244 -9.1384 -9.1295 -9.1199 -9.0833 -7.6103 -7.5800 -7.5050 -7.4950 -7.0882 -7.0726 -3.9650 -3.9607 -0.9777 -0.9696 -0.6032 -0.5963 0.0018 0.0043 0.9886 1.0016 1.4076 1.4445 2.7040 2.7164 2.9180 2.9229 3.0752 3.1036 3.5986 3.6001 3.7643 3.8018 3.9587 3.9968 7.5383 7.5519 7.9598 7.9855 8.2913 8.2971 9.0977 9.1248 k =-0.1154 0.1315 0.1750 ( 4307 PWs) bands (ev): -10.8574 -10.8544 -10.0371 -10.0290 -9.9920 -9.9640 -9.3342 -9.3276 -9.1377 -9.1296 -9.1205 -9.0869 -7.5916 -7.5632 -7.4959 -7.4875 -7.0783 -7.0637 -3.9962 -3.9921 -0.9508 -0.9429 -0.6103 -0.6036 0.0033 0.0056 0.9377 0.9502 1.4071 1.4419 2.6803 2.6911 2.9620 2.9691 3.0749 3.0980 3.6051 3.6068 3.7884 3.8250 3.9672 4.0056 7.4923 7.5048 7.9120 7.9348 8.2994 8.3055 9.1344 9.1622 k =-0.1066 0.1214 0.1615 ( 4303 PWs) bands (ev): -10.8617 -10.8583 -10.0369 -10.0305 -9.9945 -9.9673 -9.3364 -9.3298 -9.1370 -9.1295 -9.1211 -9.0904 -7.5734 -7.5472 -7.4871 -7.4803 -7.0691 -7.0555 -4.0258 -4.0218 -0.9227 -0.9149 -0.6165 -0.6103 0.0052 0.0074 0.8857 0.8977 1.4053 1.4378 2.6565 2.6662 2.9980 3.0100 3.0786 3.0939 3.6159 3.6188 3.8104 3.8444 3.9816 4.0183 7.4434 7.4548 7.8662 7.8866 8.3046 8.3109 9.1700 9.1982 k =-0.0977 0.1113 0.1481 ( 4311 PWs) bands (ev): -10.8658 -10.8621 -10.0367 -10.0319 -9.9965 -9.9706 -9.3388 -9.3315 -9.1362 -9.1294 -9.1217 -9.0937 -7.5561 -7.5321 -7.4788 -7.4735 -7.0605 -7.0480 -4.0535 -4.0498 -0.8935 -0.8859 -0.6221 -0.6162 0.0073 0.0093 0.8333 0.8448 1.4023 1.4323 2.6339 2.6426 3.0226 3.0431 3.0868 3.0917 3.6331 3.6372 3.8306 3.8607 4.0002 4.0338 7.3924 7.4027 7.8231 7.8414 8.3066 8.3132 9.2041 9.2326 k =-0.0888 0.1012 0.1346 ( 4293 PWs) bands (ev): -10.8695 -10.8658 -10.0365 -10.0332 -9.9982 -9.9738 -9.3410 -9.3329 -9.1354 -9.1292 -9.1223 -9.0969 -7.5396 -7.5181 -7.4709 -7.4672 -7.0526 -7.0412 -4.0793 -4.0759 -0.8636 -0.8563 -0.6269 -0.6216 0.0096 0.0115 0.7814 0.7923 1.3983 1.4258 2.6129 2.6207 3.0364 3.0666 3.0898 3.0995 3.6576 3.6622 3.8491 3.8749 4.0210 4.0509 7.3405 7.3497 7.7830 7.7993 8.3059 8.3126 9.2366 9.2651 k =-0.0799 0.0910 0.1211 ( 4295 PWs) bands (ev): -10.8730 -10.8693 -10.0364 -10.0343 -9.9995 -9.9771 -9.3428 -9.3343 -9.1345 -9.1289 -9.1229 -9.0999 -7.5241 -7.5052 -7.4633 -7.4614 -7.0453 -7.0350 -4.1031 -4.0999 -0.8334 -0.8264 -0.6311 -0.6263 0.0121 0.0137 0.7305 0.7408 1.3935 1.4184 2.5938 2.6007 3.0443 3.0788 3.0932 3.1091 3.6886 3.6933 3.8662 3.8877 4.0425 4.0685 7.2886 7.2969 7.7463 7.7608 8.3027 8.3094 9.2669 9.2953 k =-0.0710 0.0809 0.1077 ( 4297 PWs) bands (ev): -10.8762 -10.8725 -10.0363 -10.0352 -10.0005 -9.9802 -9.3444 -9.3356 -9.1337 -9.1286 -9.1234 -9.1028 -7.5100 -7.4937 -7.4563 -7.4559 -7.0388 -7.0296 -4.1248 -4.1218 -0.8033 -0.7967 -0.6345 -0.6304 0.0145 0.0159 0.6814 0.6910 1.3883 1.4105 2.5767 2.5828 3.0497 3.0819 3.0992 3.1145 3.7244 3.7288 3.8819 3.8994 4.0635 4.0858 7.2379 7.2452 7.7131 7.7259 8.2976 8.3041 9.2947 9.3227 k =-0.0622 0.0708 0.0942 ( 4291 PWs) bands (ev): -10.8790 -10.8756 -10.0365 -10.0357 -10.0011 -9.9833 -9.3455 -9.3369 -9.1328 -9.1281 -9.1239 -9.1055 -7.4972 -7.4836 -7.4509 -7.4496 -7.0330 -7.0249 -4.1441 -4.1414 -0.7740 -0.7679 -0.6373 -0.6338 0.0168 0.0180 0.6350 0.6438 1.3829 1.4024 2.5615 2.5669 3.0541 3.0825 3.1028 3.1159 3.7626 3.7663 3.8963 3.9102 4.0833 4.1021 7.1896 7.1959 7.6837 7.6947 8.2912 8.2973 9.3194 9.3466 k =-0.0533 0.0607 0.0808 ( 4291 PWs) bands (ev): -10.8814 -10.8783 -10.0369 -10.0359 -10.0016 -9.9862 -9.3463 -9.3382 -9.1320 -9.1276 -9.1244 -9.1080 -7.4861 -7.4750 -7.4462 -7.4436 -7.0278 -7.0209 -4.1610 -4.1587 -0.7461 -0.7406 -0.6393 -0.6367 0.0189 0.0200 0.5920 0.5999 1.3778 1.3945 2.5485 2.5531 3.0579 3.0825 3.1037 3.1144 3.8003 3.8036 3.9098 3.9203 4.1013 4.1170 7.1447 7.1501 7.6580 7.6674 8.2841 8.2896 9.3405 9.3664 k =-0.0444 0.0506 0.0673 ( 4295 PWs) bands (ev): -10.8834 -10.8807 -10.0372 -10.0360 -10.0017 -9.9889 -9.3468 -9.3396 -9.1312 -9.1270 -9.1248 -9.1104 -7.4767 -7.4679 -7.4418 -7.4382 -7.0234 -7.0176 -4.1755 -4.1735 -0.7205 -0.7158 -0.6405 -0.6388 0.0209 0.0217 0.5534 0.5603 1.3731 1.3870 2.5376 2.5414 3.0613 3.0820 3.1030 3.1115 3.8350 3.8381 3.9224 3.9297 4.1171 4.1300 7.1044 7.1089 7.6363 7.6441 8.2769 8.2818 9.3576 9.3815 k =-0.0355 0.0405 0.0538 ( 4303 PWs) bands (ev): -10.8850 -10.8828 -10.0374 -10.0361 -10.0016 -9.9914 -9.3470 -9.3408 -9.1305 -9.1266 -9.1249 -9.1127 -7.4691 -7.4624 -7.4377 -7.4337 -7.0196 -7.0150 -4.1874 -4.1858 -0.6983 -0.6945 -0.6408 -0.6399 0.0225 0.0231 0.5201 0.5258 1.3691 1.3803 2.5287 2.5317 3.0641 3.0807 3.1018 3.1081 3.8643 3.8678 3.9345 3.9390 4.1306 4.1408 7.0698 7.0734 7.6186 7.6248 8.2703 8.2743 9.3705 9.3914 k =-0.0266 0.0303 0.0404 ( 4305 PWs) bands (ev): -10.8862 -10.8845 -10.0375 -10.0363 -10.0013 -9.9936 -9.3469 -9.3421 -9.1298 -9.1266 -9.1243 -9.1148 -7.4632 -7.4584 -7.4339 -7.4302 -7.0166 -7.0131 -4.1967 -4.1955 -0.6809 -0.6779 -0.6400 -0.6392 0.0238 0.0242 0.4931 0.4975 1.3661 1.3745 2.5219 2.5241 3.0664 3.0788 3.1008 3.1052 3.8868 3.8904 3.9461 3.9484 4.1415 4.1491 7.0419 7.0446 7.6049 7.6096 8.2647 8.2678 9.3797 9.3966 k =-0.0178 0.0202 0.0269 ( 4309 PWs) bands (ev): -10.8870 -10.8858 -10.0374 -10.0365 -10.0007 -9.9956 -9.3465 -9.3432 -9.1292 -9.1270 -9.1232 -9.1168 -7.4590 -7.4558 -7.4307 -7.4279 -7.0142 -7.0119 -4.2033 -4.2025 -0.6694 -0.6673 -0.6380 -0.6366 0.0247 0.0250 0.4732 0.4763 1.3642 1.3698 2.5171 2.5186 3.0683 3.0764 3.1003 3.1030 3.9019 3.9050 3.9564 3.9574 4.1498 4.1548 7.0214 7.0232 7.5954 7.5985 8.2605 8.2626 9.3862 9.3981 k =-0.0089 0.0101 0.0135 ( 4301 PWs) bands (ev): -10.8873 -10.8868 -10.0372 -10.0368 -9.9998 -9.9973 -9.3459 -9.3443 -9.1286 -9.1275 -9.1218 -9.1186 -7.4562 -7.4546 -7.4283 -7.4268 -7.0126 -7.0114 -4.2072 -4.2068 -0.6635 -0.6623 -0.6348 -0.6338 0.0253 0.0254 0.4613 0.4629 1.3636 1.3664 2.5144 2.5152 3.0700 3.0740 3.1002 3.1015 3.9106 3.9123 3.9638 3.9642 4.1552 4.1578 7.0090 7.0099 7.5900 7.5915 8.2581 8.2592 9.3910 9.3971 k = 0.0000 0.0000 0.0000 ( 4289 PWs) bands (ev): -10.8873 -10.8873 -10.0370 -10.0370 -9.9987 -9.9987 -9.3452 -9.3452 -9.1280 -9.1280 -9.1203 -9.1203 -7.4548 -7.4548 -7.4270 -7.4270 -7.0117 -7.0117 -4.2084 -4.2084 -0.6615 -0.6615 -0.6329 -0.6329 0.0255 0.0255 0.4578 0.4578 1.3643 1.3643 2.5138 2.5138 3.0719 3.0719 3.1006 3.1006 3.9140 3.9140 3.9666 3.9666 4.1579 4.1579 7.0051 7.0051 7.5887 7.5887 8.2577 8.2577 9.3946 9.3946 k = 0.0000 0.0000 0.0000 ( 4289 PWs) bands (ev): -10.8873 -10.8873 -10.0370 -10.0370 -9.9987 -9.9987 -9.3452 -9.3452 -9.1280 -9.1280 -9.1203 -9.1203 -7.4548 -7.4548 -7.4270 -7.4270 -7.0117 -7.0117 -4.2084 -4.2084 -0.6615 -0.6615 -0.6329 -0.6329 0.0255 0.0255 0.4578 0.4578 1.3643 1.3643 2.5138 2.5138 3.0719 3.0719 3.1006 3.1006 3.9140 3.9140 3.9666 3.9666 4.1579 4.1579 7.0051 7.0051 7.5887 7.5887 8.2577 8.2577 9.3946 9.3946 k = 0.0143 0.0125-0.0000 ( 4289 PWs) bands (ev): -10.8871 -10.8871 -10.0368 -10.0368 -9.9986 -9.9986 -9.3450 -9.3450 -9.1282 -9.1282 -9.1201 -9.1201 -7.4550 -7.4550 -7.4272 -7.4272 -7.0139 -7.0139 -4.2059 -4.2059 -0.6604 -0.6604 -0.6319 -0.6319 0.0250 0.0250 0.4519 0.4519 1.3722 1.3722 2.5131 2.5131 3.0723 3.0723 3.1011 3.1011 3.9129 3.9129 3.9654 3.9654 4.1537 4.1537 7.0086 7.0086 7.5915 7.5915 8.2568 8.2568 9.3927 9.3927 k = 0.0286 0.0251 0.0000 ( 4285 PWs) bands (ev): -10.8864 -10.8864 -10.0362 -10.0362 -9.9985 -9.9985 -9.3446 -9.3446 -9.1285 -9.1285 -9.1195 -9.1195 -7.4558 -7.4558 -7.4280 -7.4280 -7.0205 -7.0205 -4.1983 -4.1983 -0.6571 -0.6571 -0.6287 -0.6287 0.0234 0.0234 0.4349 0.4349 1.3954 1.3954 2.5110 2.5110 3.0735 3.0735 3.1023 3.1023 3.9098 3.9098 3.9621 3.9621 4.1413 4.1413 7.0187 7.0187 7.6001 7.6001 8.2543 8.2543 9.3872 9.3872 k = 0.0429 0.0376 0.0000 ( 4277 PWs) bands (ev): -10.8854 -10.8854 -10.0351 -10.0351 -9.9982 -9.9982 -9.3438 -9.3438 -9.1290 -9.1290 -9.1186 -9.1186 -7.4571 -7.4571 -7.4293 -7.4293 -7.0314 -7.0314 -4.1858 -4.1858 -0.6517 -0.6517 -0.6234 -0.6234 0.0203 0.0203 0.4091 0.4091 1.4320 1.4320 2.5077 2.5077 3.0753 3.0753 3.1043 3.1043 3.9046 3.9046 3.9566 3.9566 4.1208 4.1208 7.0352 7.0352 7.6142 7.6142 8.2502 8.2502 9.3780 9.3780 k = 0.0571 0.0502 0.0000 ( 4293 PWs) bands (ev): -10.8840 -10.8840 -10.0336 -10.0336 -9.9978 -9.9978 -9.3427 -9.3427 -9.1296 -9.1296 -9.1175 -9.1175 -7.4589 -7.4589 -7.4312 -7.4311 -7.0464 -7.0464 -4.1686 -4.1686 -0.6442 -0.6442 -0.6160 -0.6160 0.0150 0.0150 0.3773 0.3773 1.4796 1.4796 2.5033 2.5033 3.0778 3.0778 3.1070 3.1070 3.8976 3.8976 3.9492 3.9492 4.0928 4.0928 7.0575 7.0575 7.6337 7.6337 8.2443 8.2443 9.3650 9.3650 k = 0.0714 0.0627 0.0000 ( 4293 PWs) bands (ev): -10.8822 -10.8822 -10.0318 -10.0318 -9.9973 -9.9973 -9.3413 -9.3413 -9.1303 -9.1303 -9.1162 -9.1162 -7.4612 -7.4612 -7.4335 -7.4335 -7.0654 -7.0654 -4.1468 -4.1468 -0.6346 -0.6346 -0.6065 -0.6065 0.0066 0.0066 0.3427 0.3427 1.5359 1.5359 2.4979 2.4979 3.0808 3.0808 3.1102 3.1102 3.8887 3.8887 3.9399 3.9399 4.0579 4.0579 7.0850 7.0850 7.6582 7.6582 8.2367 8.2367 9.3483 9.3483 k = 0.0857 0.0752 0.0000 ( 4277 PWs) bands (ev): -10.8801 -10.8801 -10.0295 -10.0295 -9.9966 -9.9966 -9.3396 -9.3396 -9.1309 -9.1309 -9.1148 -9.1148 -7.4640 -7.4640 -7.4363 -7.4363 -7.0881 -7.0881 -4.1207 -4.1207 -0.6230 -0.6230 -0.5951 -0.5951 -0.0065 -0.0065 0.3088 0.3088 1.5987 1.5987 2.4918 2.4918 3.0841 3.0841 3.1137 3.1137 3.8781 3.8781 3.9291 3.9291 4.0170 4.0170 7.1167 7.1167 7.6874 7.6874 8.2273 8.2273 9.3277 9.3277 k = 0.1000 0.0878 0.0000 ( 4293 PWs) bands (ev): -10.8776 -10.8776 -10.0270 -10.0270 -9.9957 -9.9957 -9.3376 -9.3376 -9.1315 -9.1315 -9.1132 -9.1132 -7.4672 -7.4672 -7.4395 -7.4395 -7.1141 -7.1141 -4.0906 -4.0906 -0.6094 -0.6094 -0.5817 -0.5817 -0.0259 -0.0259 0.2786 0.2786 1.6664 1.6664 2.4854 2.4854 3.0874 3.0874 3.1173 3.1173 3.8655 3.8655 3.9170 3.9170 3.9713 3.9713 7.1515 7.1515 7.7205 7.7205 8.2166 8.2166 9.3033 9.3033 k = 0.1143 0.1003 0.0000 ( 4289 PWs) bands (ev): -10.8748 -10.8748 -10.0241 -10.0241 -9.9947 -9.9947 -9.3353 -9.3353 -9.1321 -9.1321 -9.1115 -9.1115 -7.4709 -7.4709 -7.4432 -7.4432 -7.1432 -7.1432 -4.0569 -4.0569 -0.5939 -0.5939 -0.5665 -0.5665 -0.0527 -0.0527 0.2545 0.2545 1.7372 1.7372 2.4792 2.4792 3.0905 3.0905 3.1207 3.1207 3.8498 3.8498 3.9038 3.9038 3.9234 3.9234 7.1885 7.1885 7.7569 7.7569 8.2048 8.2048 9.2750 9.2750 k = 0.1286 0.1129 0.0000 ( 4289 PWs) bands (ev): -10.8717 -10.8717 -10.0211 -10.0211 -9.9934 -9.9934 -9.3327 -9.3327 -9.1327 -9.1327 -9.1097 -9.1097 -7.4749 -7.4749 -7.4473 -7.4473 -7.1751 -7.1751 -4.0198 -4.0198 -0.5766 -0.5766 -0.5495 -0.5495 -0.0872 -0.0872 0.2376 0.2376 1.8099 1.8099 2.4738 2.4738 3.0931 3.0931 3.1236 3.1236 3.8250 3.8250 3.8786 3.8786 3.8917 3.8917 7.2264 7.2264 7.7952 7.7952 8.1929 8.1929 9.2429 9.2429 k = 0.1429 0.1254 0.0000 ( 4297 PWs) bands (ev): -10.8683 -10.8683 -10.0179 -10.0179 -9.9917 -9.9917 -9.3298 -9.3298 -9.1332 -9.1332 -9.1077 -9.1077 -7.4794 -7.4794 -7.4518 -7.4518 -7.2093 -7.2093 -3.9798 -3.9798 -0.5575 -0.5575 -0.5308 -0.5307 -0.1286 -0.1286 0.2275 0.2275 1.8829 1.8829 2.4701 2.4701 3.0948 3.0948 3.1255 3.1255 3.7807 3.7807 3.8515 3.8515 3.8781 3.8781 7.2639 7.2639 7.8335 7.8335 8.1829 8.1829 9.2070 9.2070 k = 0.1571 0.1380 0.0000 ( 4293 PWs) bands (ev): -10.8647 -10.8647 -10.0147 -10.0147 -9.9897 -9.9897 -9.3266 -9.3266 -9.1337 -9.1337 -9.1056 -9.1056 -7.4842 -7.4842 -7.4567 -7.4567 -7.2456 -7.2456 -3.9372 -3.9372 -0.5369 -0.5368 -0.5104 -0.5104 -0.1751 -0.1751 0.2231 0.2231 1.9545 1.9545 2.4695 2.4695 3.0952 3.0952 3.1260 3.1260 3.7227 3.7227 3.8356 3.8356 3.8655 3.8655 7.2998 7.2998 7.8684 7.8684 8.1780 8.1780 9.1674 9.1674 k = 0.1714 0.1505 0.0000 ( 4285 PWs) bands (ev): -10.8608 -10.8608 -10.0116 -10.0116 -9.9871 -9.9871 -9.3232 -9.3232 -9.1342 -9.1342 -9.1033 -9.1033 -7.4893 -7.4893 -7.4619 -7.4619 -7.2835 -7.2835 -3.8923 -3.8923 -0.5147 -0.5147 -0.4887 -0.4887 -0.2251 -0.2251 0.2231 0.2231 2.0223 2.0223 2.4739 2.4739 3.0939 3.0939 3.1248 3.1248 3.6591 3.6591 3.8242 3.8242 3.8541 3.8541 7.3328 7.3328 7.8951 7.8951 8.1832 8.1832 9.1243 9.1243 k = 0.1857 0.1630 0.0000 ( 4289 PWs) bands (ev): -10.8568 -10.8568 -10.0087 -10.0087 -9.9839 -9.9839 -9.3194 -9.3194 -9.1346 -9.1346 -9.1009 -9.1009 -7.4948 -7.4948 -7.4675 -7.4675 -7.3227 -7.3227 -3.8455 -3.8455 -0.4911 -0.4911 -0.4656 -0.4656 -0.2774 -0.2774 0.2264 0.2264 2.0834 2.0834 2.4862 2.4862 3.0904 3.0904 3.1212 3.1213 3.5927 3.5927 3.8157 3.8158 3.8445 3.8445 7.3615 7.3615 7.9087 7.9087 8.2038 8.2038 9.0780 9.0780 k = 0.2000 0.1756 0.0000 ( 4289 PWs) bands (ev): -10.8527 -10.8527 -10.0062 -10.0062 -9.9801 -9.9801 -9.3154 -9.3154 -9.1350 -9.1350 -9.0984 -9.0984 -7.5006 -7.5006 -7.4735 -7.4735 -7.3626 -7.3626 -3.7971 -3.7971 -0.4663 -0.4663 -0.4414 -0.4414 -0.3307 -0.3307 0.2323 0.2323 2.1342 2.1342 2.5096 2.5096 3.0845 3.0845 3.1151 3.1151 3.5245 3.5245 3.8100 3.8101 3.8372 3.8372 7.3849 7.3849 7.9079 7.9079 8.2415 8.2415 9.0286 9.0286 k = 0.2143 0.1881 0.0000 ( 4273 PWs) bands (ev): -10.8484 -10.8484 -10.0041 -10.0041 -9.9756 -9.9756 -9.3111 -9.3111 -9.1354 -9.1354 -9.0957 -9.0957 -7.5069 -7.5069 -7.4802 -7.4802 -7.4024 -7.4024 -3.7475 -3.7475 -0.4407 -0.4407 -0.4169 -0.4169 -0.3835 -0.3835 0.2401 0.2401 2.1720 2.1720 2.5466 2.5466 3.0759 3.0759 3.1060 3.1060 3.4554 3.4554 3.8072 3.8072 3.8326 3.8326 7.4020 7.4020 7.8958 7.8958 8.2934 8.2934 8.9766 8.9766 k = 0.2286 0.2007 0.0000 ( 4289 PWs) bands (ev): -10.8441 -10.8441 -10.0022 -10.0022 -9.9705 -9.9705 -9.3066 -9.3066 -9.1358 -9.1358 -9.0928 -9.0928 -7.5144 -7.5144 -7.4885 -7.4885 -7.4403 -7.4403 -3.6971 -3.6971 -0.4409 -0.4409 -0.4126 -0.4126 -0.3883 -0.3883 0.2493 0.2493 2.1968 2.1968 2.5969 2.5969 3.0645 3.0645 3.0938 3.0938 3.3860 3.3860 3.8074 3.8074 3.8310 3.8310 7.4118 7.4118 7.8770 7.8770 8.3555 8.3555 8.9224 8.9224 k = 0.2429 0.2132 0.0000 ( 4277 PWs) bands (ev): -10.8398 -10.8398 -10.0006 -10.0006 -9.9650 -9.9650 -9.3019 -9.3019 -9.1361 -9.1361 -9.0897 -9.0897 -7.5260 -7.5260 -7.5010 -7.5009 -7.4702 -7.4702 -3.6461 -3.6461 -0.4933 -0.4933 -0.3856 -0.3856 -0.3618 -0.3618 0.2597 0.2597 2.2111 2.2111 2.6580 2.6580 3.0503 3.0503 3.0785 3.0785 3.3166 3.3166 3.8105 3.8105 3.8327 3.8327 7.4141 7.4141 7.8547 7.8547 8.4245 8.4245 8.8667 8.8667 k = 0.2571 0.2257 0.0000 ( 4285 PWs) bands (ev): -10.8355 -10.8355 -9.9992 -9.9992 -9.9592 -9.9592 -9.2970 -9.2970 -9.1364 -9.1364 -9.0864 -9.0864 -7.5508 -7.5508 -7.5144 -7.5144 -7.4860 -7.4860 -3.5948 -3.5948 -0.5457 -0.5457 -0.3575 -0.3575 -0.3343 -0.3343 0.2709 0.2709 2.2182 2.2182 2.7259 2.7259 3.0335 3.0335 3.0602 3.0602 3.2478 3.2478 3.8165 3.8165 3.8376 3.8376 7.4087 7.4087 7.8311 7.8311 8.4979 8.4979 8.8103 8.8103 k = 0.2714 0.2383 0.0000 ( 4281 PWs) bands (ev): -10.8312 -10.8312 -9.9980 -9.9980 -9.9531 -9.9531 -9.2920 -9.2920 -9.1368 -9.1368 -9.0830 -9.0830 -7.5870 -7.5870 -7.5231 -7.5231 -7.4949 -7.4949 -3.5437 -3.5437 -0.5972 -0.5972 -0.3289 -0.3289 -0.3064 -0.3064 0.2828 0.2828 2.2210 2.2210 2.7973 2.7973 3.0149 3.0149 3.0392 3.0392 3.1801 3.1801 3.8252 3.8252 3.8457 3.8457 7.3962 7.3962 7.8072 7.8072 8.5725 8.5725 8.7556 8.7556 k = 0.2857 0.2508 0.0000 ( 4298 PWs) bands (ev): -10.8269 -10.8269 -9.9968 -9.9968 -9.9468 -9.9468 -9.2868 -9.2868 -9.1371 -9.1371 -9.0793 -9.0793 -7.6263 -7.6263 -7.5299 -7.5299 -7.5018 -7.5018 -3.4930 -3.4930 -0.6475 -0.6475 -0.3002 -0.3002 -0.2784 -0.2784 0.2951 0.2951 2.2213 2.2213 2.8679 2.8679 2.9961 2.9961 3.0161 3.0161 3.1140 3.1140 3.8363 3.8363 3.8565 3.8565 7.3775 7.3775 7.7833 7.7833 8.6332 8.6332 8.7168 8.7168 k = 0.3000 0.2634 0.0000 ( 4298 PWs) bands (ev): -10.8228 -10.8228 -9.9958 -9.9958 -9.9405 -9.9405 -9.2816 -9.2816 -9.1373 -9.1373 -9.0754 -9.0754 -7.6659 -7.6659 -7.5360 -7.5360 -7.5080 -7.5080 -3.4431 -3.4431 -0.6962 -0.6962 -0.2716 -0.2716 -0.2504 -0.2504 0.3077 0.3077 2.2205 2.2205 2.9232 2.9232 2.9822 2.9822 2.9992 2.9992 3.0507 3.0507 3.8494 3.8494 3.8697 3.8697 7.3540 7.3540 7.7594 7.7594 8.6161 8.6161 8.6840 8.6840 k = 0.3143 0.2759 0.0000 ( 4306 PWs) bands (ev): -10.8188 -10.8188 -9.9949 -9.9949 -9.9342 -9.9342 -9.2764 -9.2764 -9.1376 -9.1376 -9.0714 -9.0714 -7.7050 -7.7050 -7.5417 -7.5417 -7.5137 -7.5137 -3.3942 -3.3942 -0.7432 -0.7432 -0.2432 -0.2432 -0.2228 -0.2228 0.3204 0.3204 2.2195 2.2195 2.9242 2.9242 2.9557 2.9557 2.9932 2.9932 3.0418 3.0418 3.8641 3.8641 3.8848 3.8848 7.3271 7.3271 7.7351 7.7351 8.5644 8.5644 8.6253 8.6253 k = 0.3286 0.2885 0.0000 ( 4290 PWs) bands (ev): -10.8150 -10.8150 -9.9940 -9.9940 -9.9280 -9.9280 -9.2712 -9.2712 -9.1379 -9.1379 -9.0672 -9.0672 -7.7431 -7.7431 -7.5470 -7.5470 -7.5191 -7.5191 -3.3468 -3.3468 -0.7883 -0.7883 -0.2154 -0.2154 -0.1957 -0.1957 0.3330 0.3330 2.2189 2.2189 2.8950 2.8950 2.9200 2.9200 2.9495 2.9495 3.1091 3.1091 3.8800 3.8800 3.9014 3.9014 7.2981 7.2981 7.7103 7.7103 8.5099 8.5099 8.5681 8.5681 k = 0.3429 0.3010 0.0000 ( 4282 PWs) bands (ev): -10.8114 -10.8114 -9.9932 -9.9932 -9.9220 -9.9220 -9.2661 -9.2661 -9.1381 -9.1381 -9.0628 -9.0628 -7.7796 -7.7796 -7.5521 -7.5521 -7.5242 -7.5242 -3.3012 -3.3012 -0.8312 -0.8312 -0.1884 -0.1884 -0.1694 -0.1694 0.3454 0.3454 2.2190 2.2190 2.8470 2.8470 2.8894 2.8894 2.9171 2.9171 3.1778 3.1778 3.8967 3.8967 3.9188 3.9188 7.2682 7.2682 7.6848 7.6848 8.4563 8.4563 8.5130 8.5130 k = 0.3571 0.3135 0.0000 ( 4262 PWs) bands (ev): -10.8081 -10.8081 -9.9925 -9.9925 -9.9162 -9.9162 -9.2611 -9.2611 -9.1384 -9.1384 -9.0583 -9.0583 -7.8143 -7.8143 -7.5568 -7.5568 -7.5289 -7.5289 -3.2577 -3.2577 -0.8716 -0.8716 -0.1625 -0.1625 -0.1443 -0.1443 0.3575 0.3575 2.2203 2.2203 2.7932 2.7932 2.8631 2.8631 2.8884 2.8884 3.2445 3.2445 3.9138 3.9138 3.9367 3.9367 7.2387 7.2387 7.6586 7.6586 8.4047 8.4047 8.4605 8.4605 k = 0.3714 0.3261 0.0000 ( 4262 PWs) bands (ev): -10.8049 -10.8049 -9.9918 -9.9918 -9.9108 -9.9108 -9.2565 -9.2565 -9.1386 -9.1386 -9.0538 -9.0538 -7.8470 -7.8470 -7.5611 -7.5611 -7.5333 -7.5333 -3.2167 -3.2167 -0.9095 -0.9095 -0.1379 -0.1379 -0.1205 -0.1205 0.3690 0.3690 2.2229 2.2229 2.7400 2.7400 2.8382 2.8382 2.8614 2.8614 3.3078 3.3078 3.9308 3.9308 3.9546 3.9546 7.2102 7.2102 7.6322 7.6322 8.3560 8.3560 8.4112 8.4112 k = 0.3857 0.3386 0.0000 ( 4262 PWs) bands (ev): -10.8021 -10.8021 -9.9912 -9.9912 -9.9057 -9.9057 -9.2521 -9.2521 -9.1388 -9.1388 -9.0493 -9.0493 -7.8773 -7.8773 -7.5651 -7.5651 -7.5373 -7.5373 -3.1787 -3.1787 -0.9444 -0.9444 -0.1150 -0.1150 -0.0983 -0.0983 0.3798 0.3798 2.2270 2.2270 2.6890 2.6890 2.8148 2.8148 2.8360 2.8360 3.3668 3.3668 3.9472 3.9472 3.9719 3.9719 7.1836 7.1836 7.6060 7.6060 8.3107 8.3107 8.3655 8.3655 k = 0.4000 0.3512 0.0000 ( 4274 PWs) bands (ev): -10.7995 -10.7995 -9.9907 -9.9907 -9.9010 -9.9010 -9.2480 -9.2480 -9.1391 -9.1391 -9.0449 -9.0449 -7.9048 -7.9048 -7.5687 -7.5687 -7.5409 -7.5409 -3.1439 -3.1439 -0.9761 -0.9761 -0.0939 -0.0939 -0.0780 -0.0780 0.3898 0.3898 2.2328 2.2328 2.6409 2.6409 2.7931 2.7931 2.8124 2.8124 3.4208 3.4208 3.9628 3.9628 3.9883 3.9883 7.1593 7.1593 7.5804 7.5804 8.2694 8.2694 8.3240 8.3240 k = 0.4143 0.3637 0.0000 ( 4274 PWs) bands (ev): -10.7972 -10.7972 -9.9902 -9.9902 -9.8969 -9.8969 -9.2444 -9.2444 -9.1393 -9.1393 -9.0408 -9.0407 -7.9294 -7.9294 -7.5718 -7.5718 -7.5441 -7.5441 -3.1127 -3.1127 -1.0044 -1.0044 -0.0750 -0.0750 -0.0598 -0.0598 0.3988 0.3988 2.2403 2.2403 2.5959 2.5959 2.7736 2.7736 2.7911 2.7911 3.4691 3.4691 3.9772 3.9772 4.0033 4.0033 7.1378 7.1378 7.5563 7.5563 8.2326 8.2326 8.2870 8.2870 k = 0.4286 0.3762-0.0000 ( 4270 PWs) bands (ev): -10.7953 -10.7953 -9.9899 -9.9899 -9.8933 -9.8933 -9.2413 -9.2413 -9.1394 -9.1394 -9.0369 -9.0369 -7.9508 -7.9508 -7.5745 -7.5745 -7.5468 -7.5468 -3.0856 -3.0856 -1.0290 -1.0290 -0.0586 -0.0586 -0.0439 -0.0439 0.4067 0.4067 2.2494 2.2494 2.5545 2.5545 2.7564 2.7564 2.7724 2.7724 3.5111 3.5111 3.9899 3.9899 4.0167 4.0167 7.1193 7.1193 7.5342 7.5342 8.2007 8.2007 8.2550 8.2550 k = 0.4429 0.3888 0.0000 ( 4274 PWs) bands (ev): -10.7937 -10.7937 -9.9895 -9.9895 -9.8903 -9.8903 -9.2386 -9.2386 -9.1396 -9.1396 -9.0336 -9.0336 -7.9687 -7.9687 -7.5768 -7.5768 -7.5490 -7.5490 -3.0628 -3.0628 -1.0495 -1.0495 -0.0447 -0.0447 -0.0307 -0.0307 0.4133 0.4133 2.2600 2.2600 2.5172 2.5172 2.7420 2.7420 2.7565 2.7565 3.5463 3.5463 4.0008 4.0008 4.0281 4.0281 7.1041 7.1041 7.5149 7.5149 8.1740 8.1740 8.2283 8.2283 k = 0.4571 0.4013 0.0000 ( 4274 PWs) bands (ev): -10.7925 -10.7925 -9.9893 -9.9893 -9.8879 -9.8879 -9.2365 -9.2365 -9.1397 -9.1397 -9.0308 -9.0308 -7.9828 -7.9828 -7.5786 -7.5786 -7.5508 -7.5508 -3.0448 -3.0448 -1.0658 -1.0658 -0.0337 -0.0337 -0.0202 -0.0202 0.4186 0.4186 2.2715 2.2715 2.4847 2.4847 2.7306 2.7306 2.7438 2.7438 3.5742 3.5742 4.0095 4.0095 4.0372 4.0372 7.0922 7.0922 7.4990 7.4990 8.1529 8.1529 8.2072 8.2072 k = 0.4714 0.4139-0.0000 ( 4294 PWs) bands (ev): -10.7916 -10.7916 -9.9891 -9.9891 -9.8862 -9.8862 -9.2350 -9.2350 -9.1398 -9.1398 -9.0288 -9.0288 -7.9931 -7.9931 -7.5798 -7.5798 -7.5521 -7.5521 -3.0317 -3.0317 -1.0775 -1.0775 -0.0258 -0.0257 -0.0126 -0.0126 0.4224 0.4224 2.2827 2.2827 2.4584 2.4584 2.7223 2.7223 2.7346 2.7346 3.5944 3.5944 4.0159 4.0159 4.0439 4.0439 7.0836 7.0836 7.4873 7.4873 8.1376 8.1376 8.1920 8.1920 k = 0.4857 0.4264 0.0000 ( 4294 PWs) bands (ev): -10.7910 -10.7910 -9.9890 -9.9890 -9.8851 -9.8851 -9.2341 -9.2341 -9.1399 -9.1399 -9.0275 -9.0275 -7.9993 -7.9993 -7.5806 -7.5806 -7.5528 -7.5528 -3.0237 -3.0237 -1.0847 -1.0847 -0.0209 -0.0209 -0.0079 -0.0079 0.4248 0.4248 2.2916 2.2916 2.4404 2.4404 2.7173 2.7173 2.7289 2.7289 3.6066 3.6066 4.0198 4.0198 4.0480 4.0480 7.0785 7.0785 7.4800 7.4800 8.1284 8.1284 8.1827 8.1827 k = 0.5000 0.4390 0.0000 ( 4302 PWs) bands (ev): -10.7908 -10.7908 -9.9890 -9.9890 -9.8848 -9.8848 -9.2338 -9.2338 -9.1399 -9.1399 -9.0271 -9.0271 -8.0014 -8.0014 -7.5808 -7.5808 -7.5531 -7.5531 -3.0211 -3.0211 -1.0871 -1.0871 -0.0193 -0.0193 -0.0064 -0.0064 0.4256 0.4256 2.2951 2.2951 2.4338 2.4338 2.7156 2.7156 2.7270 2.7270 3.6107 3.6107 4.0211 4.0211 4.0494 4.0494 7.0768 7.0768 7.4776 7.4776 8.1253 8.1253 8.1796 8.1796 k = 0.5000 0.4390 0.0000 ( 4302 PWs) bands (ev): -10.7908 -10.7908 -9.9890 -9.9890 -9.8848 -9.8848 -9.2338 -9.2338 -9.1399 -9.1399 -9.0271 -9.0271 -8.0014 -8.0014 -7.5808 -7.5808 -7.5531 -7.5531 -3.0211 -3.0211 -1.0871 -1.0871 -0.0193 -0.0193 -0.0064 -0.0064 0.4256 0.4256 2.2951 2.2951 2.4338 2.4338 2.7156 2.7156 2.7270 2.7270 3.6107 3.6107 4.0211 4.0211 4.0494 4.0494 7.0768 7.0768 7.4776 7.4776 8.1253 8.1253 8.1796 8.1796 k = 0.4915 0.4487 0.0129 ( 4292 PWs) bands (ev): -10.7919 -10.7896 -9.9895 -9.9885 -9.8903 -9.8793 -9.2401 -9.2276 -9.1410 -9.1388 -9.0288 -9.0253 -8.0016 -8.0008 -7.5813 -7.5805 -7.5545 -7.5519 -3.0211 -3.0208 -1.0877 -1.0871 -0.0196 -0.0194 -0.0071 -0.0059 0.4251 0.4252 2.2936 2.2972 2.4215 2.4251 2.7163 2.7218 2.7336 2.7365 3.6081 3.6117 4.0207 4.0218 4.0493 4.0498 7.0757 7.0792 7.4767 7.4777 8.1274 8.1281 8.1814 8.1827 k = 0.4829 0.4584 0.0259 ( 4286 PWs) bands (ev): -10.7929 -10.7883 -9.9901 -9.9882 -9.8956 -9.8738 -9.2466 -9.2215 -9.1420 -9.1376 -9.0305 -9.0236 -8.0012 -7.9996 -7.5821 -7.5804 -7.5558 -7.5506 -3.0209 -3.0203 -1.0889 -1.0877 -0.0206 -0.0204 -0.0077 -0.0050 0.4238 0.4241 2.2916 2.2998 2.3926 2.4004 2.7164 2.7250 2.7613 2.7659 3.6040 3.6111 4.0199 4.0221 4.0502 4.0512 7.0757 7.0827 7.4752 7.4773 8.1343 8.1354 8.1880 8.1909 k = 0.4744 0.4681 0.0388 ( 4282 PWs) bands (ev): -10.7939 -10.7870 -9.9908 -9.9880 -9.9009 -9.8684 -9.2531 -9.2158 -9.1430 -9.1365 -9.0322 -9.0219 -8.0003 -7.9980 -7.5835 -7.5807 -7.5569 -7.5491 -3.0205 -3.0197 -1.0908 -1.0890 -0.0236 -0.0229 -0.0072 -0.0028 0.4218 0.4223 2.2858 2.3004 2.3567 2.3705 2.7154 2.7273 2.8015 2.8076 3.5983 3.6088 4.0175 4.0207 4.0535 4.0549 7.0770 7.0873 7.4733 7.4763 8.1454 8.1465 8.1999 8.2045 k = 0.4659 0.4779 0.0518 ( 4278 PWs) bands (ev): -10.7947 -10.7856 -9.9916 -9.9880 -9.9059 -9.8631 -9.2597 -9.2102 -9.1439 -9.1353 -9.0338 -9.0201 -7.9990 -7.9960 -7.5861 -7.5818 -7.5571 -7.5468 -3.0201 -3.0190 -1.0932 -1.0909 -0.0288 -0.0277 -0.0049 0.0011 0.4191 0.4197 2.2678 2.2852 2.3329 2.3492 2.7143 2.7296 2.8478 2.8553 3.5911 3.6048 4.0123 4.0166 4.0601 4.0621 7.0796 7.0932 7.4713 7.4752 8.1594 8.1603 8.2174 8.2241 k = 0.4573 0.4876 0.0647 ( 4276 PWs) bands (ev): -10.7954 -10.7841 -9.9924 -9.9882 -9.9107 -9.8580 -9.2662 -9.2050 -9.1448 -9.1341 -9.0355 -9.0185 -7.9971 -7.9935 -7.5901 -7.5840 -7.5560 -7.5436 -3.0198 -3.0184 -1.0960 -1.0933 -0.0359 -0.0345 -0.0009 0.0064 0.4159 0.4166 2.2335 2.2453 2.3328 2.3434 2.7134 2.7320 2.8972 2.9059 3.5823 3.5990 4.0044 4.0097 4.0698 4.0726 7.0837 7.1004 7.4695 7.4742 8.1747 8.1763 8.2410 8.2498 k = 0.4488 0.4973 0.0776 ( 4272 PWs) bands (ev): -10.7960 -10.7827 -9.9933 -9.9887 -9.9151 -9.8531 -9.2727 -9.2001 -9.1455 -9.1329 -9.0372 -9.0168 -7.9947 -7.9906 -7.5954 -7.5874 -7.5535 -7.5393 -3.0197 -3.0180 -1.0994 -1.0962 -0.0448 -0.0432 0.0047 0.0131 0.4122 0.4131 2.1901 2.1983 2.3401 2.3478 2.7127 2.7347 2.9477 2.9575 3.5719 3.5914 3.9943 4.0006 4.0822 4.0859 7.0894 7.1090 7.4682 7.4738 8.1907 8.1936 8.2708 8.2815 k = 0.4402 0.5070 0.0906 ( 4272 PWs) bands (ev): -10.7965 -10.7812 -9.9942 -9.9893 -9.9192 -9.8485 -9.2791 -9.1956 -9.1462 -9.1318 -9.0388 -9.0152 -7.9918 -7.9872 -7.6020 -7.5920 -7.5496 -7.5338 -3.0200 -3.0180 -1.1031 -1.0995 -0.0551 -0.0534 0.0116 0.0209 0.4083 0.4094 2.1434 2.1502 2.3497 2.3573 2.7125 2.7376 2.9984 3.0092 3.5600 3.5820 3.9823 3.9897 4.0969 4.1014 7.0967 7.1190 7.4678 7.4741 8.2070 8.2114 8.3063 8.3185 k = 0.4317 0.5167 0.1035 ( 4278 PWs) bands (ev): -10.7969 -10.7797 -9.9952 -9.9902 -9.9229 -9.8443 -9.2853 -9.1915 -9.1467 -9.1306 -9.0405 -9.0138 -7.9884 -7.9836 -7.6094 -7.5974 -7.5445 -7.5274 -3.0209 -3.0187 -1.1071 -1.1032 -0.0669 -0.0649 0.0197 0.0299 0.4043 0.4057 2.0956 2.1024 2.3609 2.3698 2.7127 2.7409 3.0482 3.0600 3.5465 3.5709 3.9686 3.9774 4.1135 4.1187 7.1058 7.1307 7.4685 7.4756 8.2233 8.2293 8.3471 8.3604 k = 0.4232 0.5265 0.1165 ( 4282 PWs) bands (ev): -10.7972 -10.7783 -9.9963 -9.9914 -9.9261 -9.8404 -9.2914 -9.1878 -9.1471 -9.1295 -9.0422 -9.0124 -7.9846 -7.9795 -7.6175 -7.6036 -7.5384 -7.5200 -3.0227 -3.0201 -1.1113 -1.1071 -0.0799 -0.0777 0.0290 0.0398 0.4006 0.4024 2.0481 2.0556 2.3735 2.3843 2.7134 2.7447 3.0966 3.1094 3.5317 3.5581 3.9536 3.9637 4.1316 4.1375 7.1169 7.1440 7.4705 7.4785 8.2390 8.2467 8.3925 8.4066 k = 0.4146 0.5362 0.1294 ( 4270 PWs) bands (ev): -10.7974 -10.7769 -9.9975 -9.9927 -9.9289 -9.8371 -9.2972 -9.1846 -9.1474 -9.1284 -9.0440 -9.0111 -7.9805 -7.9751 -7.6261 -7.6101 -7.5313 -7.5117 -3.0255 -3.0227 -1.1157 -1.1113 -0.0939 -0.0915 0.0391 0.0505 0.3976 0.3997 2.0014 2.0101 2.3872 2.4001 2.7149 2.7491 3.1430 3.1567 3.5156 3.5439 3.9374 3.9490 4.1509 4.1574 7.1299 7.1591 7.4741 7.4829 8.2537 8.2633 8.4421 8.4567 k = 0.4061 0.5459 0.1423 ( 4271 PWs) bands (ev): -10.7975 -10.7756 -9.9988 -9.9942 -9.9312 -9.8342 -9.3027 -9.1819 -9.1476 -9.1274 -9.0459 -9.0100 -7.9760 -7.9704 -7.6348 -7.6169 -7.5233 -7.5026 -3.0295 -3.0264 -1.1202 -1.1156 -0.1089 -0.1063 0.0500 0.0616 0.3957 0.3983 1.9560 1.9659 2.4018 2.4169 2.7171 2.7541 3.1866 3.2013 3.4986 3.5287 3.9203 3.9334 4.1710 4.1781 7.1451 7.1760 7.4793 7.4890 8.2670 8.2785 8.4952 8.5102 k = 0.3976 0.5556 0.1553 ( 4267 PWs) bands (ev): -10.7976 -10.7744 -10.0004 -9.9956 -9.9331 -9.8319 -9.3079 -9.1797 -9.1476 -9.1264 -9.0479 -9.0091 -7.9712 -7.9652 -7.6436 -7.6237 -7.5145 -7.4928 -3.0351 -3.0317 -1.1247 -1.1200 -0.1248 -0.1219 0.0611 0.0728 0.3954 0.3987 1.9123 1.9235 2.4170 2.4344 2.7204 2.7600 3.2266 3.2423 3.4811 3.5129 3.9022 3.9171 4.1916 4.1991 7.1624 7.1949 7.4862 7.4968 8.2784 8.2918 8.5516 8.5668 k = 0.3890 0.5654 0.1682 ( 4259 PWs) bands (ev): -10.7977 -10.7733 -10.0023 -9.9970 -9.9345 -9.8303 -9.3128 -9.1780 -9.1475 -9.1254 -9.0500 -9.0083 -7.9662 -7.9598 -7.6522 -7.6304 -7.5050 -7.4824 -3.0423 -3.0386 -1.1293 -1.1245 -0.1413 -0.1382 0.0720 0.0837 0.3975 0.4016 1.8704 1.8829 2.4323 2.4521 2.7248 2.7669 3.2622 3.2787 3.4640 3.4975 3.8835 3.9001 4.2122 4.2202 7.1819 7.2158 7.4949 7.5063 8.2875 8.3029 8.6110 8.6262 k = 0.3805 0.5751 0.1812 ( 4267 PWs) bands (ev): -10.7977 -10.7723 -10.0045 -9.9982 -9.9356 -9.8292 -9.3172 -9.1768 -9.1473 -9.1245 -9.0524 -9.0077 -7.9611 -7.9539 -7.6603 -7.6366 -7.4947 -7.4713 -3.0513 -3.0474 -1.1338 -1.1288 -0.1584 -0.1551 0.0822 0.0936 0.4027 0.4077 1.8304 1.8443 2.4474 2.4694 2.7306 2.7751 3.2917 3.3086 3.4491 3.4838 3.8643 3.8826 4.2326 4.2409 7.2037 7.2387 7.5053 7.5176 8.2942 8.3116 8.6728 8.6881 k = 0.3720 0.5848 0.1941 ( 4277 PWs) bands (ev): -10.7977 -10.7715 -10.0069 -9.9994 -9.9364 -9.8289 -9.3213 -9.1761 -9.1470 -9.1237 -9.0549 -9.0074 -7.9558 -7.9477 -7.6679 -7.6423 -7.4837 -7.4596 -3.0623 -3.0581 -1.1382 -1.1332 -0.1759 -0.1724 0.0911 0.1020 0.4117 0.4179 1.7926 1.8078 2.4617 2.4859 2.7382 2.7847 3.3131 3.3287 3.4394 3.4739 3.8448 3.8648 4.2523 4.2609 7.2276 7.2635 7.5175 7.5305 8.2985 8.3178 8.7369 8.7520 k = 0.3634 0.5945 0.2070 ( 4275 PWs) bands (ev): -10.7977 -10.7710 -10.0094 -10.0004 -9.9369 -9.8293 -9.3249 -9.1759 -9.1467 -9.1230 -9.0577 -9.0072 -7.9505 -7.9412 -7.6747 -7.6473 -7.4722 -7.4473 -3.0753 -3.0709 -1.1426 -1.1374 -0.1938 -0.1900 0.0981 0.1083 0.4253 0.4326 1.7570 1.7736 2.4748 2.5007 2.7480 2.7959 3.3245 3.3351 3.4389 3.4697 3.8251 3.8468 4.2709 4.2798 7.2538 7.2903 7.5313 7.5451 8.3006 8.3217 8.8029 8.8178 k = 0.3549 0.6043 0.2200 ( 4291 PWs) bands (ev): -10.7977 -10.7706 -10.0120 -10.0014 -9.9372 -9.8304 -9.3280 -9.1762 -9.1464 -9.1224 -9.0607 -9.0072 -7.9451 -7.9343 -7.6806 -7.6515 -7.4600 -7.4346 -3.0905 -3.0859 -1.1468 -1.1415 -0.2119 -0.2079 0.1028 0.1123 0.4438 0.4523 1.7238 1.7416 2.4861 2.5133 2.7604 2.8092 3.3253 3.3290 3.4463 3.4718 3.8057 3.8289 4.2882 4.2971 7.2820 7.3189 7.5466 7.5610 8.3007 8.3236 8.8704 8.8850 k = 0.3463 0.6140 0.2329 ( 4289 PWs) bands (ev): -10.7977 -10.7704 -10.0146 -10.0023 -9.9373 -9.8323 -9.3307 -9.1769 -9.1460 -9.1218 -9.0639 -9.0075 -7.9396 -7.9272 -7.6854 -7.6547 -7.4473 -7.4215 -3.1078 -3.1030 -1.1508 -1.1454 -0.2302 -0.2260 0.1052 0.1139 0.4674 0.4772 1.6930 1.7121 2.4951 2.5230 2.7757 2.8246 3.3158 3.3182 3.4561 3.4777 3.7866 3.8113 4.3036 4.3127 7.3121 7.3491 7.5635 7.5784 8.2993 8.3240 8.9389 8.9531 k = 0.3463 0.6140 0.2329 ( 4289 PWs) bands (ev): -10.7977 -10.7704 -10.0146 -10.0023 -9.9373 -9.8323 -9.3307 -9.1769 -9.1460 -9.1218 -9.0639 -9.0075 -7.9396 -7.9272 -7.6854 -7.6547 -7.4473 -7.4215 -3.1078 -3.1030 -1.1508 -1.1454 -0.2302 -0.2260 0.1052 0.1139 0.4674 0.4772 1.6930 1.7121 2.4951 2.5230 2.7757 2.8246 3.3158 3.3182 3.4561 3.4777 3.7866 3.8113 4.3036 4.3127 7.3121 7.3491 7.5635 7.5784 8.2993 8.3240 8.9389 8.9531 k = 0.3298 0.6088 0.2399 ( 4289 PWs) bands (ev): -10.7978 -10.7705 -10.0160 -10.0029 -9.9373 -9.8338 -9.3319 -9.1780 -9.1457 -9.1216 -9.0657 -9.0079 -7.9365 -7.9233 -7.6867 -7.6553 -7.4400 -7.4140 -3.1194 -3.1145 -1.1518 -1.1462 -0.2411 -0.2368 0.1051 0.1134 0.4829 0.4932 1.6785 1.6983 2.4984 2.5264 2.7848 2.8334 3.3047 3.3101 3.4602 3.4800 3.7801 3.8051 4.3104 4.3195 7.3297 7.3663 7.5740 7.5888 8.2986 8.3245 8.9778 8.9917 k = 0.3134 0.6035 0.2468 ( 4288 PWs) bands (ev): -10.7979 -10.7709 -10.0174 -10.0035 -9.9373 -9.8359 -9.3329 -9.1801 -9.1450 -9.1214 -9.0675 -9.0087 -7.9333 -7.9196 -7.6861 -7.6540 -7.4321 -7.4060 -3.1341 -3.1292 -1.1504 -1.1448 -0.2541 -0.2496 0.1038 0.1117 0.5008 0.5117 1.6669 1.6875 2.4999 2.5278 2.7940 2.8421 3.2876 3.2961 3.4631 3.4808 3.7808 3.8055 4.3151 4.3243 7.3489 7.3840 7.5867 7.6009 8.2989 8.3262 9.0202 9.0337 k = 0.2969 0.5983 0.2538 ( 4282 PWs) bands (ev): -10.7982 -10.7715 -10.0188 -10.0042 -9.9374 -9.8385 -9.3335 -9.1831 -9.1441 -9.1213 -9.0690 -9.0099 -7.9304 -7.9166 -7.6834 -7.6510 -7.4236 -7.3974 -3.1517 -3.1468 -1.1468 -1.1412 -0.2690 -0.2644 0.1016 0.1094 0.5208 0.5321 1.6581 1.6795 2.4993 2.5270 2.8033 2.8505 3.2649 3.2760 3.4654 3.4812 3.7877 3.8115 4.3180 4.3273 7.3688 7.4016 7.6019 7.6150 8.3003 8.3295 9.0658 9.0788 k = 0.2804 0.5931 0.2607 ( 4278 PWs) bands (ev): -10.7985 -10.7723 -10.0202 -10.0049 -9.9373 -9.8416 -9.3339 -9.1869 -9.1431 -9.1212 -9.0703 -9.0113 -7.9281 -7.9145 -7.6786 -7.6461 -7.4146 -7.3883 -3.1718 -3.1670 -1.1412 -1.1355 -0.2855 -0.2809 0.0989 0.1067 0.5424 0.5541 1.6519 1.6741 2.4961 2.5236 2.8127 2.8587 3.2378 3.2508 3.4674 3.4820 3.7994 3.8222 4.3190 4.3284 7.3886 7.4180 7.6199 7.6321 8.3033 8.3345 9.1142 9.1266 k = 0.2639 0.5879 0.2677 ( 4281 PWs) bands (ev): -10.7989 -10.7732 -10.0216 -10.0058 -9.9372 -9.8451 -9.3339 -9.1914 -9.1420 -9.1213 -9.0713 -9.0131 -7.9265 -7.9134 -7.6719 -7.6396 -7.4049 -7.3788 -3.1941 -3.1893 -1.1338 -1.1281 -0.3033 -0.2988 0.0962 0.1040 0.5652 0.5772 1.6482 1.6713 2.4900 2.5173 2.8224 2.8671 3.2079 3.2224 3.4692 3.4830 3.8145 3.8361 4.3184 4.3280 7.4073 7.4324 7.6410 7.6530 8.3081 8.3416 9.1648 9.1764 k = 0.2474 0.5826 0.2746 ( 4281 PWs) bands (ev): -10.7992 -10.7744 -10.0229 -10.0067 -9.9370 -9.8491 -9.3336 -9.1965 -9.1410 -9.1214 -9.0719 -9.0150 -7.9257 -7.9133 -7.6634 -7.6316 -7.3946 -7.3689 -3.2180 -3.2133 -1.1249 -1.1192 -0.3222 -0.3178 0.0936 0.1014 0.5888 0.6011 1.6469 1.6708 2.4805 2.5080 2.8324 2.8756 3.1770 3.1925 3.4705 3.4840 3.8317 3.8522 4.3163 4.3260 7.4237 7.4443 7.6653 7.6787 8.3152 8.3509 9.2165 9.2273 k = 0.2309 0.5774 0.2816 ( 4285 PWs) bands (ev): -10.7996 -10.7757 -10.0241 -10.0077 -9.9367 -9.8533 -9.3330 -9.2020 -9.1400 -9.1216 -9.0722 -9.0171 -7.9257 -7.9141 -7.6537 -7.6226 -7.3837 -7.3586 -3.2431 -3.2386 -1.1146 -1.1090 -0.3417 -0.3375 0.0911 0.0990 0.6129 0.6252 1.6477 1.6724 2.4676 2.4954 2.8428 2.8844 3.1466 3.1630 3.4709 3.4842 3.8502 3.8695 4.3129 4.3227 7.4372 7.4534 7.6931 7.7090 8.3248 8.3628 9.2628 9.2760 k = 0.2144 0.5722 0.2885 ( 4289 PWs) bands (ev): -10.8000 -10.7771 -10.0253 -10.0088 -9.9363 -9.8577 -9.3320 -9.2078 -9.1391 -9.1219 -9.0721 -9.0193 -7.9264 -7.9157 -7.6429 -7.6129 -7.3724 -7.3480 -3.2691 -3.2647 -1.1034 -1.0979 -0.3615 -0.3574 0.0890 0.0968 0.6370 0.6494 1.6505 1.6760 2.4510 2.4794 2.8536 2.8938 3.1177 3.1352 3.4702 3.4834 3.8690 3.8873 4.3083 4.3182 7.4475 7.4599 7.7245 7.7431 8.3371 8.3774 9.2717 9.2844 k = 0.1979 0.5670 0.2955 ( 4292 PWs) bands (ev): -10.8003 -10.7786 -10.0263 -10.0100 -9.9358 -9.8623 -9.3306 -9.2139 -9.1382 -9.1223 -9.0717 -9.0217 -7.9277 -7.9179 -7.6315 -7.6028 -7.3607 -7.3372 -3.2953 -3.2912 -1.0915 -1.0861 -0.3813 -0.3774 0.0871 0.0949 0.6609 0.6731 1.6552 1.6814 2.4310 2.4603 2.8645 2.9034 3.0916 3.1105 3.4680 3.4812 3.8878 3.9050 4.3029 4.3128 7.4547 7.4643 7.7590 7.7800 8.3522 8.3946 9.2523 9.2607 k = 0.1814 0.5617 0.3024 ( 4291 PWs) bands (ev): -10.8006 -10.7802 -10.0272 -10.0112 -9.9350 -9.8671 -9.3289 -9.2203 -9.1374 -9.1227 -9.0709 -9.0241 -7.9293 -7.9205 -7.6199 -7.5928 -7.3486 -7.3264 -3.3215 -3.3176 -1.0791 -1.0739 -0.4006 -0.3969 0.0856 0.0932 0.6842 0.6962 1.6615 1.6882 2.4080 2.4382 2.8753 2.9131 3.0692 3.0898 3.4641 3.4771 3.9059 3.9223 4.2968 4.3067 7.4593 7.4670 7.7959 7.8184 8.3702 8.4145 9.2282 9.2356 k = 0.1649 0.5565 0.3094 ( 4286 PWs) bands (ev): -10.8008 -10.7819 -10.0279 -10.0125 -9.9341 -9.8719 -9.3268 -9.2267 -9.1367 -9.1232 -9.0700 -9.0266 -7.9313 -7.9234 -7.6084 -7.5831 -7.3364 -7.3156 -3.3471 -3.3434 -1.0666 -1.0617 -0.4191 -0.4158 0.0843 0.0916 0.7067 0.7184 1.6692 1.6963 2.3826 2.4136 2.8852 2.9219 3.0517 3.0741 3.4583 3.4712 3.9233 3.9386 4.2903 4.3001 7.4618 7.4684 7.8340 7.8575 8.3910 8.4366 9.2036 9.2110 k = 0.1484 0.5513 0.3164 ( 4290 PWs) bands (ev): -10.8010 -10.7836 -10.0285 -10.0138 -9.9331 -9.8767 -9.3243 -9.2333 -9.1359 -9.1238 -9.0687 -9.0291 -7.9334 -7.9264 -7.5973 -7.5740 -7.3243 -7.3051 -3.3716 -3.3683 -1.0543 -1.0496 -0.4367 -0.4336 0.0832 0.0902 0.7281 0.7393 1.6781 1.7053 2.3556 2.3871 2.8935 2.9287 3.0403 3.0640 3.4505 3.4632 3.9395 3.9538 4.2836 4.2932 7.4630 7.4689 7.8724 7.8960 8.4142 8.4606 9.1799 9.1874 k = 0.1319 0.5460 0.3233 ( 4285 PWs) bands (ev): -10.8010 -10.7853 -10.0289 -10.0152 -9.9318 -9.8814 -9.3216 -9.2398 -9.1352 -9.1244 -9.0673 -9.0316 -7.9355 -7.9293 -7.5868 -7.5657 -7.3124 -7.2950 -3.3948 -3.3918 -1.0425 -1.0381 -0.4529 -0.4502 0.0824 0.0889 0.7483 0.7587 1.6879 1.7150 2.3279 2.3593 2.8995 2.9319 3.0366 3.0602 3.4408 3.4532 3.9545 3.9678 4.2770 4.2862 7.4632 7.4686 7.9100 7.9331 8.4395 8.4857 9.1576 9.1652 k = 0.1154 0.5408 0.3303 ( 4292 PWs) bands (ev): -10.8009 -10.7870 -10.0291 -10.0166 -9.9303 -9.8861 -9.3185 -9.2463 -9.1346 -9.1250 -9.0657 -9.0341 -7.9375 -7.9322 -7.5771 -7.5584 -7.3010 -7.2856 -3.4162 -3.4135 -1.0313 -1.0273 -0.4676 -0.4652 0.0817 0.0876 0.7668 0.7764 1.6985 1.7249 2.3005 2.3312 2.9029 2.9310 3.0405 3.0625 3.4293 3.4413 3.9682 3.9803 4.2706 4.2793 7.4629 7.4678 7.9459 7.9678 8.4661 8.5111 9.1373 9.1450 k = 0.0990 0.5356 0.3372 ( 4282 PWs) bands (ev): -10.8008 -10.7886 -10.0291 -10.0180 -9.9287 -9.8907 -9.3150 -9.2528 -9.1339 -9.1257 -9.0639 -9.0367 -7.9394 -7.9349 -7.5683 -7.5521 -7.2904 -7.2771 -3.4355 -3.4331 -1.0211 -1.0175 -0.4807 -0.4786 0.0812 0.0865 0.7835 0.7922 1.7095 1.7346 2.2743 2.3035 2.9038 2.9270 3.0507 3.0700 3.4163 3.4278 3.9804 3.9913 4.2647 4.2727 7.4624 7.4668 7.9792 7.9994 8.4932 8.5357 9.1195 9.1269 k = 0.0825 0.5304 0.3442 ( 4286 PWs) bands (ev): -10.8005 -10.7902 -10.0290 -10.0194 -9.9268 -9.8950 -9.3113 -9.2591 -9.1332 -9.1264 -9.0621 -9.0392 -7.9411 -7.9373 -7.5606 -7.5470 -7.2807 -7.2696 -3.4523 -3.4503 -1.0120 -1.0089 -0.4919 -0.4902 0.0808 0.0854 0.7983 0.8058 1.7206 1.7437 2.2504 2.2772 2.9033 2.9215 3.0647 3.0811 3.4024 3.4131 3.9911 4.0006 4.2594 4.2666 7.4618 7.4656 8.0092 8.0271 8.5196 8.5582 9.1045 9.1115 k = 0.0660 0.5251 0.3511 ( 4288 PWs) bands (ev): -10.8000 -10.7918 -10.0286 -10.0207 -9.9247 -9.8993 -9.3072 -9.2653 -9.1326 -9.1271 -9.0601 -9.0417 -7.9424 -7.9394 -7.5539 -7.5430 -7.2723 -7.2633 -3.4664 -3.4648 -1.0042 -1.0017 -0.5012 -0.4998 0.0806 0.0844 0.8108 0.8170 1.7314 1.7517 2.2298 2.2532 2.9021 2.9160 3.0805 3.0941 3.3884 3.3979 4.0003 4.0082 4.2551 4.2611 7.4612 7.4644 8.0352 8.0502 8.5444 8.5776 9.0926 9.0987 k = 0.0495 0.5199 0.3581 ( 4285 PWs) bands (ev): -10.7994 -10.7932 -10.0281 -10.0221 -9.9223 -9.9032 -9.3029 -9.2713 -9.1319 -9.1278 -9.0580 -9.0441 -7.9434 -7.9412 -7.5484 -7.5401 -7.2652 -7.2585 -3.4776 -3.4764 -0.9980 -0.9961 -0.5085 -0.5074 0.0806 0.0835 0.8209 0.8257 1.7414 1.7578 2.2134 2.2323 2.9009 2.9109 3.0962 3.1069 3.3752 3.3833 4.0078 4.0139 4.2517 4.2565 7.4608 7.4632 8.0567 8.0684 8.5662 8.5926 9.0837 9.0888 k = 0.0330 0.5147 0.3650 ( 4283 PWs) bands (ev): -10.7987 -10.7945 -10.0274 -10.0234 -9.9198 -9.9070 -9.2983 -9.2772 -9.1312 -9.1285 -9.0558 -9.0466 -7.9441 -7.9426 -7.5440 -7.5385 -7.2598 -7.2553 -3.4856 -3.4848 -0.9933 -0.9920 -0.5137 -0.5130 0.0807 0.0827 0.8285 0.8318 1.7501 1.7618 2.2021 2.2154 2.9002 2.9067 3.1101 3.1177 3.3645 3.3705 4.0135 4.0177 4.2494 4.2527 7.4606 7.4623 8.0730 8.0810 8.5841 8.6025 9.0780 9.0816 k = 0.0165 0.5095 0.3720 ( 4285 PWs) bands (ev): -10.7979 -10.7958 -10.0266 -10.0245 -9.9169 -9.9106 -9.2934 -9.2828 -9.1306 -9.1292 -9.0536 -9.0490 -7.9443 -7.9436 -7.5408 -7.5381 -7.2560 -7.2537 -3.4905 -3.4900 -0.9904 -0.9897 -0.5167 -0.5164 0.0810 0.0820 0.8335 0.8351 1.7569 1.7630 2.1966 2.2035 2.9003 2.9035 3.1204 3.1244 3.3579 3.3611 4.0175 4.0196 4.2484 4.2501 7.4607 7.4615 8.0838 8.0879 8.5972 8.6066 9.0751 9.0769 k = 0.0000 0.5042 0.3789 ( 4286 PWs) bands (ev): -10.7969 -10.7969 -10.0256 -10.0256 -9.9139 -9.9139 -9.2882 -9.2882 -9.1299 -9.1299 -9.0513 -9.0513 -7.9442 -7.9442 -7.5389 -7.5389 -7.2540 -7.2540 -3.4919 -3.4919 -0.9892 -0.9892 -0.5176 -0.5176 0.0814 0.0814 0.8357 0.8357 1.7613 1.7613 2.1970 2.1970 2.9013 2.9013 3.1254 3.1254 3.3566 3.3566 4.0195 4.0195 4.2486 4.2486 7.4610 7.4610 8.0888 8.0888 8.6048 8.6048 9.0748 9.0748 k = 0.0000 0.5042 0.3789 ( 4286 PWs) bands (ev): -10.7969 -10.7969 -10.0256 -10.0256 -9.9139 -9.9139 -9.2882 -9.2882 -9.1299 -9.1299 -9.0513 -9.0513 -7.9442 -7.9442 -7.5389 -7.5389 -7.2540 -7.2540 -3.4919 -3.4919 -0.9892 -0.9892 -0.5176 -0.5176 0.0814 0.0814 0.8357 0.8357 1.7613 1.7613 2.1970 2.1970 2.9013 2.9013 3.1254 3.1254 3.3566 3.3566 4.0195 4.0195 4.2486 4.2486 7.4610 7.4610 8.0888 8.0888 8.6048 8.6048 9.0748 9.0748 k = 0.0089 0.4941 0.3925 ( 4286 PWs) bands (ev): -10.7979 -10.7957 -10.0273 -10.0240 -9.9197 -9.9079 -9.2934 -9.2831 -9.1304 -9.1293 -9.0527 -9.0497 -7.9448 -7.9435 -7.5405 -7.5381 -7.2550 -7.2535 -3.4914 -3.4908 -0.9926 -0.9912 -0.5179 -0.5160 0.0799 0.0803 0.8368 0.8393 1.7594 1.7638 2.1978 2.1996 2.8968 2.9031 3.1257 3.1260 3.3553 3.3608 4.0202 4.0208 4.2479 4.2489 7.4602 7.4610 8.0852 8.0878 8.6041 8.6061 9.0710 9.0742 k = 0.0179 0.4839 0.4060 ( 4286 PWs) bands (ev): -10.7987 -10.7942 -10.0289 -10.0224 -9.9254 -9.9017 -9.2985 -9.2780 -9.1308 -9.1288 -9.0538 -9.0479 -7.9453 -7.9427 -7.5430 -7.5382 -7.2566 -7.2536 -3.4891 -3.4880 -1.0013 -0.9987 -0.5169 -0.5133 0.0759 0.0768 0.8425 0.8474 1.7580 1.7668 2.2019 2.2053 2.8897 2.9020 3.1267 3.1272 3.3571 3.3677 4.0228 4.0240 4.2466 4.2487 7.4589 7.4605 8.0772 8.0822 8.6039 8.6078 9.0629 9.0692 k = 0.0268 0.4737 0.4195 ( 4290 PWs) bands (ev): -10.7993 -10.7926 -10.0305 -10.0209 -9.9308 -9.8955 -9.3035 -9.2730 -9.1313 -9.1283 -9.0548 -9.0459 -7.9457 -7.9418 -7.5463 -7.5391 -7.2587 -7.2542 -3.4852 -3.4836 -1.0150 -1.0113 -0.5147 -0.5096 0.0696 0.0708 0.8527 0.8600 1.7572 1.7702 2.2092 2.2141 2.8805 2.8982 3.1285 3.1292 3.3619 3.3771 4.0273 4.0290 4.2448 4.2480 7.4569 7.4593 8.0649 8.0722 8.6045 8.6099 9.0507 9.0601 k = 0.0357 0.4636 0.4331 ( 4290 PWs) bands (ev): -10.7996 -10.7908 -10.0322 -10.0193 -9.9361 -9.8892 -9.3085 -9.2681 -9.1317 -9.1277 -9.0554 -9.0437 -7.9461 -7.9410 -7.5504 -7.5408 -7.2614 -7.2554 -3.4797 -3.4776 -1.0332 -1.0286 -0.5116 -0.5051 0.0609 0.0626 0.8672 0.8767 1.7572 1.7743 2.2194 2.2256 2.8695 2.8921 3.1311 3.1319 3.3694 3.3883 4.0334 4.0357 4.2426 4.2468 7.4543 7.4574 8.0489 8.0583 8.6057 8.6126 9.0348 9.0469 k = 0.0446 0.4534 0.4466 ( 4288 PWs) bands (ev): -10.7997 -10.7888 -10.0338 -10.0178 -9.9411 -9.8828 -9.3133 -9.2634 -9.1321 -9.1272 -9.0558 -9.0413 -7.9464 -7.9402 -7.5551 -7.5431 -7.2646 -7.2570 -3.4727 -3.4700 -1.0554 -1.0502 -0.5079 -0.5002 0.0501 0.0522 0.8856 0.8972 1.7581 1.7790 2.2321 2.2395 2.8574 2.8841 3.1344 3.1355 3.3791 3.4010 4.0409 4.0438 4.2399 4.2452 7.4512 7.4550 8.0297 8.0409 8.6077 8.6159 9.0155 9.0302 k = 0.0536 0.4432 0.4601 ( 4294 PWs) bands (ev): -10.7996 -10.7867 -10.0353 -10.0163 -9.9459 -9.8764 -9.3180 -9.2589 -9.1324 -9.1267 -9.0560 -9.0388 -7.9468 -7.9394 -7.5604 -7.5460 -7.2683 -7.2592 -3.4642 -3.4610 -1.0811 -1.0754 -0.5036 -0.4951 0.0374 0.0398 0.9077 0.9213 1.7601 1.7845 2.2469 2.2553 2.8446 2.8746 3.1385 3.1402 3.3907 3.4147 4.0496 4.0531 4.2368 4.2433 7.4474 7.4519 8.0079 8.0207 8.6104 8.6197 8.9933 9.0102 k = 0.0625 0.4331 0.4737 ( 4290 PWs) bands (ev): -10.7993 -10.7844 -10.0369 -10.0148 -9.9505 -9.8700 -9.3224 -9.2546 -9.1326 -9.1262 -9.0558 -9.0361 -7.9473 -7.9389 -7.5660 -7.5493 -7.2726 -7.2619 -3.4543 -3.4505 -1.1096 -1.1036 -0.4992 -0.4901 0.0230 0.0258 0.9331 0.9484 1.7632 1.7910 2.2631 2.2724 2.8315 2.8641 3.1435 3.1461 3.4037 3.4291 4.0590 4.0632 4.2334 4.2411 7.4432 7.4483 7.9842 7.9982 8.6138 8.6240 8.9687 8.9876 k = 0.0714 0.4229 0.4872 ( 4286 PWs) bands (ev): -10.7988 -10.7820 -10.0383 -10.0134 -9.9548 -9.8637 -9.3266 -9.2505 -9.1329 -9.1257 -9.0554 -9.0333 -7.9480 -7.9386 -7.5719 -7.5530 -7.2773 -7.2651 -3.4430 -3.4388 -1.1405 -1.1343 -0.4948 -0.4852 0.0070 0.0102 0.9613 0.9783 1.7677 1.7985 2.2800 2.2903 2.8185 2.8530 3.1496 3.1533 3.4177 3.4440 4.0687 4.0738 4.2297 4.2388 7.4385 7.4442 7.9591 7.9743 8.6178 8.6288 8.9423 8.9629 k = 0.0804 0.4127 0.5007 ( 4286 PWs) bands (ev): -10.7980 -10.7796 -10.0397 -10.0120 -9.9589 -9.8574 -9.3305 -9.2467 -9.1330 -9.1253 -9.0546 -9.0304 -7.9489 -7.9387 -7.5778 -7.5567 -7.2825 -7.2688 -3.4306 -3.4258 -1.1732 -1.1669 -0.4906 -0.4806 -0.0103 -0.0067 0.9921 1.0105 1.7738 1.8072 2.2968 2.3085 2.8057 2.8416 3.1570 3.1618 3.4325 3.4591 4.0783 4.0842 4.2259 4.2364 7.4335 7.4398 7.9332 7.9494 8.6219 8.6338 8.9147 8.9368 k = 0.0893 0.4025 0.5143 ( 4280 PWs) bands (ev): -10.7972 -10.7771 -10.0411 -10.0107 -9.9628 -9.8514 -9.3342 -9.2432 -9.1331 -9.1249 -9.0536 -9.0274 -7.9501 -7.9392 -7.5835 -7.5604 -7.2882 -7.2729 -3.4172 -3.4118 -1.2071 -1.2010 -0.4865 -0.4763 -0.0287 -0.0248 1.0251 1.0448 1.7814 1.8171 2.3127 2.3264 2.7935 2.8302 3.1658 3.1719 3.4479 3.4744 4.0872 4.0942 4.2221 4.2342 7.4284 7.4351 7.9070 7.9241 8.6258 8.6387 8.8867 8.9101 k = 0.0982 0.3924 0.5278 ( 4282 PWs) bands (ev): -10.7961 -10.7745 -10.0423 -10.0094 -9.9664 -9.8455 -9.3375 -9.2401 -9.1332 -9.1245 -9.0523 -9.0244 -7.9518 -7.9402 -7.5889 -7.5640 -7.2942 -7.2774 -3.4028 -3.3969 -1.2420 -1.2360 -0.4828 -0.4724 -0.0480 -0.0437 1.0598 1.0807 1.7907 1.8284 2.3269 2.3432 2.7819 2.8192 3.1759 3.1833 3.4639 3.4901 4.0949 4.1030 4.2185 4.2323 7.4234 7.4304 7.8810 7.8988 8.6285 8.6427 8.8594 8.8838 k = 0.1071 0.3822 0.5413 ( 4276 PWs) bands (ev): -10.7950 -10.7720 -10.0434 -10.0082 -9.9699 -9.8398 -9.3405 -9.2372 -9.1332 -9.1241 -9.0506 -9.0213 -7.9539 -7.9418 -7.5938 -7.5671 -7.3007 -7.2823 -3.3876 -3.3812 -1.2774 -1.2715 -0.4793 -0.4689 -0.0681 -0.0634 1.0961 1.1180 1.8017 1.8411 2.3387 2.3584 2.7710 2.8086 3.1873 3.1961 3.4806 3.5062 4.1008 4.1102 4.2154 4.2309 7.4186 7.4258 7.8555 7.8739 8.6292 8.6446 8.8340 8.8592 k = 0.1161 0.3720 0.5549 ( 4280 PWs) bands (ev): -10.7937 -10.7695 -10.0444 -10.0070 -9.9731 -9.8343 -9.3431 -9.2347 -9.1332 -9.1238 -9.0487 -9.0183 -7.9565 -7.9440 -7.5979 -7.5699 -7.3074 -7.2876 -3.3719 -3.3650 -1.3128 -1.3072 -0.4760 -0.4656 -0.0888 -0.0837 1.1337 1.1564 1.8143 1.8550 2.3477 2.3714 2.7608 2.7987 3.1997 3.2099 3.4984 3.5233 4.1046 4.1152 4.2130 4.2300 7.4142 7.4215 7.8307 7.8497 8.6263 8.6430 8.8123 8.8376 k = 0.1250 0.3619 0.5684 ( 4282 PWs) bands (ev): -10.7923 -10.7670 -10.0453 -10.0059 -9.9761 -9.8292 -9.3454 -9.2324 -9.1331 -9.1236 -9.0465 -9.0152 -7.9597 -7.9469 -7.6012 -7.5720 -7.3145 -7.2933 -3.3557 -3.3482 -1.3480 -1.3426 -0.4730 -0.4625 -0.1099 -0.1044 1.1722 1.1956 1.8286 1.8703 2.3533 2.3816 2.7514 2.7895 3.2125 3.2243 3.5177 3.5416 4.1061 4.1176 4.2114 4.2295 7.4104 7.4179 7.8070 7.8264 8.6186 8.6360 8.7960 8.8205 k = 0.1339 0.3517 0.5819 ( 4286 PWs) bands (ev): -10.7909 -10.7646 -10.0460 -10.0049 -9.9789 -9.8243 -9.3474 -9.2305 -9.1330 -9.1233 -9.0441 -9.0123 -7.9634 -7.9504 -7.6035 -7.5735 -7.3217 -7.2992 -3.3392 -3.3313 -1.3825 -1.3774 -0.4700 -0.4596 -0.1313 -0.1254 1.2113 1.2353 1.8444 1.8868 2.3556 2.3886 2.7426 2.7811 3.2254 3.2385 3.5390 3.5619 4.1054 4.1174 4.2103 4.2292 7.4074 7.4149 7.7843 7.8041 8.6053 8.6227 8.7859 8.8085 k = 0.1429 0.3415 0.5955 ( 4286 PWs) bands (ev): -10.7894 -10.7623 -10.0466 -10.0040 -9.9814 -9.8198 -9.3490 -9.2289 -9.1328 -9.1231 -9.0415 -9.0095 -7.9675 -7.9546 -7.6049 -7.5744 -7.3291 -7.3053 -3.3227 -3.3142 -1.4161 -1.4113 -0.4671 -0.4566 -0.1528 -0.1465 1.2507 1.2752 1.8616 1.9043 2.3545 2.3921 2.7343 2.7733 3.2377 3.2519 3.5627 3.5845 4.1026 4.1148 4.2093 4.2286 7.4054 7.4128 7.7629 7.7830 8.5869 8.6038 8.7811 8.8012 k = 0.1518 0.3314 0.6090 ( 4286 PWs) bands (ev): -10.7879 -10.7601 -10.0470 -10.0032 -9.9837 -9.8157 -9.3503 -9.2275 -9.1327 -9.1229 -9.0387 -9.0068 -7.9720 -7.9593 -7.6051 -7.5746 -7.3366 -7.3117 -3.3063 -3.2974 -1.4484 -1.4439 -0.4639 -0.4535 -0.1743 -0.1676 1.2902 1.3150 1.8799 1.9227 2.3501 2.3922 2.7266 2.7661 3.2490 3.2639 3.5892 3.6099 4.0981 4.1103 4.2079 4.2271 7.4042 7.4116 7.7429 7.7632 8.5648 8.5810 8.7797 8.7972 k = 0.1607 0.3212 0.6225 ( 4290 PWs) bands (ev): -10.7864 -10.7580 -10.0474 -10.0026 -9.9856 -9.8119 -9.3513 -9.2264 -9.1325 -9.1228 -9.0357 -9.0043 -7.9768 -7.9644 -7.6044 -7.5741 -7.3441 -7.3181 -3.2903 -3.2809 -1.4792 -1.4749 -0.4605 -0.4502 -0.1956 -0.1886 1.3294 1.3543 1.8991 1.9417 2.3429 2.3890 2.7193 2.7592 3.2586 3.2740 3.6186 3.6383 4.0924 4.1044 4.2053 4.2243 7.4039 7.4114 7.7243 7.7448 8.5407 8.5561 8.7795 8.7947 k = 0.1696 0.3110 0.6361 ( 4294 PWs) bands (ev): -10.7850 -10.7561 -10.0476 -10.0023 -9.9873 -9.8086 -9.3520 -9.2255 -9.1323 -9.1227 -9.0327 -9.0020 -7.9818 -7.9698 -7.6027 -7.5732 -7.3515 -7.3246 -3.2749 -3.2650 -1.5081 -1.5042 -0.4567 -0.4464 -0.2166 -0.2092 1.3677 1.3926 1.9189 1.9611 2.3332 2.3828 2.7122 2.7525 3.2666 3.2819 3.6507 3.6696 4.0857 4.0976 4.2011 4.2197 7.4045 7.4120 7.7073 7.7280 8.5159 8.5307 8.7791 8.7924 k = 0.1786 0.3008 0.6496 ( 4292 PWs) bands (ev): -10.7836 -10.7543 -10.0477 -10.0021 -9.9886 -9.8056 -9.3525 -9.2249 -9.1321 -9.1226 -9.0296 -9.0000 -7.9867 -7.9754 -7.6002 -7.5719 -7.3586 -7.3311 -3.2603 -3.2500 -1.5350 -1.5312 -0.4524 -0.4422 -0.2371 -0.2294 1.4048 1.4296 1.9390 1.9806 2.3214 2.3739 2.7055 2.7458 3.2728 3.2877 3.6852 3.7035 4.0786 4.0903 4.1949 4.2130 7.4057 7.4134 7.6919 7.7127 8.4916 8.5057 8.7778 8.7894 k = 0.1875 0.2907 0.6631 ( 4294 PWs) bands (ev): -10.7823 -10.7528 -10.0477 -10.0023 -9.9895 -9.8029 -9.3528 -9.2243 -9.1319 -9.1225 -9.0266 -8.9983 -7.9914 -7.9809 -7.5969 -7.5704 -7.3654 -7.3373 -3.2467 -3.2360 -1.5594 -1.5559 -0.4474 -0.4373 -0.2571 -0.2491 1.4402 1.4646 1.9591 1.9998 2.3080 2.3630 2.6990 2.7392 3.2773 3.2916 3.7213 3.7395 4.0711 4.0828 4.1864 4.2041 7.4075 7.4153 7.6782 7.6991 8.4686 8.4821 8.7751 8.7854 k = 0.1964 0.2805 0.6767 ( 4288 PWs) bands (ev): -10.7811 -10.7514 -10.0476 -10.0027 -9.9901 -9.8007 -9.3529 -9.2240 -9.1317 -9.1224 -9.0237 -8.9969 -7.9958 -7.9862 -7.5932 -7.5689 -7.3716 -7.3433 -3.2344 -3.2233 -1.5811 -1.5779 -0.4417 -0.4318 -0.2762 -0.2680 1.4731 1.4970 1.9786 2.0184 2.2936 2.3507 2.6928 2.7327 3.2805 3.2939 3.7583 3.7768 4.0635 4.0753 4.1757 4.1930 7.4095 7.4176 7.6664 7.6873 8.4476 8.4605 8.7711 8.7803 k = 0.2054 0.2703 0.6902 ( 4288 PWs) bands (ev): -10.7801 -10.7502 -10.0475 -10.0032 -9.9904 -9.7988 -9.3529 -9.2237 -9.1316 -9.1223 -9.0209 -8.9958 -7.9997 -7.9911 -7.5890 -7.5676 -7.3772 -7.3488 -3.2235 -3.2121 -1.6000 -1.5970 -0.4353 -0.4255 -0.2944 -0.2860 1.5030 1.5262 1.9971 2.0361 2.2788 2.3377 2.6871 2.7265 3.2827 3.2951 3.7953 3.8146 4.0559 4.0680 4.1628 4.1799 7.4116 7.4200 7.6564 7.6773 8.4290 8.4414 8.7664 8.7745 k = 0.2143 0.2602 0.7037 ( 4286 PWs) bands (ev): -10.7792 -10.7493 -10.0474 -10.0038 -9.9906 -9.7973 -9.3529 -9.2235 -9.1314 -9.1223 -9.0185 -8.9950 -8.0029 -7.9955 -7.5848 -7.5667 -7.3821 -7.3537 -3.2143 -3.2026 -1.6158 -1.6129 -0.4281 -0.4186 -0.3113 -0.3029 1.5291 1.5514 2.0141 2.0522 2.2643 2.3249 2.6820 2.7208 3.2840 3.2954 3.8312 3.8519 4.0483 4.0606 4.1484 4.1654 7.4135 7.4223 7.6484 7.6692 8.4133 8.4253 8.7613 8.7685 k = 0.2232 0.2500 0.7173 ( 4282 PWs) bands (ev): -10.7785 -10.7485 -10.0472 -10.0043 -9.9906 -9.7961 -9.3528 -9.2234 -9.1313 -9.1223 -9.0164 -8.9944 -8.0054 -7.9992 -7.5806 -7.5664 -7.3859 -7.3577 -3.2070 -3.1950 -1.6283 -1.6256 -0.4202 -0.4112 -0.3267 -0.3184 1.5505 1.5718 2.0287 2.0664 2.2510 2.3132 2.6777 2.7159 3.2848 3.2953 3.8646 3.8876 4.0406 4.0527 4.1334 4.1507 7.4152 7.4242 7.6422 7.6630 8.4008 8.4124 8.7566 8.7630 k = 0.2321 0.2398 0.7308 ( 4278 PWs) bands (ev): -10.7780 -10.7480 -10.0471 -10.0047 -9.9906 -9.7953 -9.3527 -9.2233 -9.1312 -9.1222 -9.0148 -8.9941 -8.0072 -8.0021 -7.5766 -7.5668 -7.3888 -7.3608 -3.2016 -3.1895 -1.6373 -1.6347 -0.4122 -0.4041 -0.3397 -0.3319 1.5665 1.5870 2.0402 2.0777 2.2400 2.3036 2.6745 2.7121 3.2852 3.2950 3.8937 3.9198 4.0328 4.0436 4.1198 4.1374 7.4165 7.4257 7.6378 7.6585 8.3916 8.4029 8.7527 8.7585 k = 0.2411 0.2296 0.7443 ( 4278 PWs) bands (ev): -10.7777 -10.7477 -10.0470 -10.0050 -9.9906 -9.7948 -9.3527 -9.2233 -9.1312 -9.1222 -9.0138 -8.9940 -8.0081 -8.0039 -7.5732 -7.5680 -7.3905 -7.3627 -3.1984 -3.1862 -1.6428 -1.6402 -0.4051 -0.3986 -0.3490 -0.3422 1.5765 1.5963 2.0475 2.0852 2.2325 2.2973 2.6724 2.7097 3.2854 3.2947 3.9149 3.9450 4.0262 4.0332 4.1102 4.1281 7.4173 7.4267 7.6352 7.6559 8.3861 8.3972 8.7502 8.7556 k = 0.2500 0.2195 0.7579 ( 4284 PWs) bands (ev): -10.7775 -10.7476 -10.0470 -10.0051 -9.9905 -9.7946 -9.3527 -9.2233 -9.1312 -9.1222 -9.0135 -8.9939 -8.0084 -8.0046 -7.5710 -7.5695 -7.3911 -7.3634 -3.1973 -3.1850 -1.6446 -1.6421 -0.4017 -0.3966 -0.3523 -0.3465 1.5799 1.5994 2.0501 2.0878 2.2298 2.2951 2.6717 2.7089 3.2855 3.2946 3.9232 3.9557 4.0250 4.0259 4.1068 4.1247 7.4176 7.4270 7.6343 7.6550 8.3842 8.3953 8.7494 8.7546 k = 0.2500 0.2195 0.7579 ( 4284 PWs) bands (ev): -10.7775 -10.7476 -10.0470 -10.0051 -9.9905 -9.7946 -9.3527 -9.2233 -9.1312 -9.1222 -9.0135 -8.9939 -8.0084 -8.0046 -7.5710 -7.5695 -7.3911 -7.3634 -3.1973 -3.1850 -1.6446 -1.6421 -0.4017 -0.3966 -0.3523 -0.3465 1.5799 1.5994 2.0501 2.0878 2.2298 2.2951 2.6717 2.7089 3.2855 3.2946 3.9232 3.9557 4.0250 4.0259 4.1068 4.1247 7.4176 7.4270 7.6343 7.6550 8.3842 8.3953 8.7494 8.7546 k = 0.2604 0.2286 0.7457 ( 4283 PWs) bands (ev): -10.7776 -10.7476 -10.0470 -10.0057 -9.9898 -9.7949 -9.3525 -9.2234 -9.1312 -9.1222 -9.0136 -8.9940 -8.0084 -8.0044 -7.5720 -7.5686 -7.3908 -7.3632 -3.1978 -3.1856 -1.6446 -1.6421 -0.4015 -0.3957 -0.3505 -0.3443 1.5762 1.5956 2.0502 2.0876 2.2298 2.2944 2.6733 2.7101 3.2851 3.2943 3.9196 3.9506 4.0215 4.0266 4.1135 4.1307 7.4160 7.4254 7.6348 7.6554 8.3855 8.3966 8.7504 8.7557 k = 0.2708 0.2378 0.7335 ( 4281 PWs) bands (ev): -10.7776 -10.7479 -10.0470 -10.0071 -9.9878 -9.7957 -9.3520 -9.2238 -9.1311 -9.1221 -9.0140 -8.9941 -8.0081 -8.0038 -7.5737 -7.5676 -7.3901 -7.3625 -3.1991 -3.1871 -1.6445 -1.6420 -0.4001 -0.3931 -0.3454 -0.3384 1.5652 1.5842 2.0503 2.0869 2.2294 2.2924 2.6781 2.7140 3.2839 3.2934 3.9085 3.9350 4.0192 4.0290 4.1291 4.1452 7.4116 7.4209 7.6358 7.6564 8.3893 8.4004 8.7536 8.7588 k = 0.2812 0.2469 0.7214 ( 4283 PWs) bands (ev): -10.7776 -10.7482 -10.0471 -10.0089 -9.9851 -9.7970 -9.3512 -9.2243 -9.1310 -9.1220 -9.0145 -8.9944 -8.0076 -8.0030 -7.5756 -7.5670 -7.3889 -7.3617 -3.2011 -3.1892 -1.6443 -1.6418 -0.3971 -0.3889 -0.3369 -0.3294 1.5472 1.5654 2.0501 2.0857 2.2286 2.2889 2.6862 2.7207 3.2817 3.2917 3.8913 3.9130 4.0207 4.0347 4.1489 4.1641 7.4046 7.4138 7.6372 7.6576 8.3955 8.4066 8.7585 8.7638 k = 0.2917 0.2561 0.7092 ( 4287 PWs) bands (ev): -10.7777 -10.7486 -10.0472 -10.0107 -9.9819 -9.7986 -9.3502 -9.2250 -9.1309 -9.1219 -9.0152 -8.9947 -8.0069 -8.0020 -7.5776 -7.5667 -7.3876 -7.3608 -3.2034 -3.1918 -1.6439 -1.6414 -0.3923 -0.3832 -0.3254 -0.3176 1.5227 1.5399 2.0492 2.0837 2.2273 2.2842 2.6973 2.7304 3.2785 3.2892 3.8706 3.8887 4.0248 4.0419 4.1707 4.1853 7.3955 7.4045 7.6386 7.6589 8.4040 8.4152 8.7652 8.7703 k = 0.3021 0.2652 0.6970 ( 4297 PWs) bands (ev): -10.7778 -10.7491 -10.0473 -10.0125 -9.9784 -9.8007 -9.3490 -9.2258 -9.1307 -9.1218 -9.0160 -8.9951 -8.0061 -8.0009 -7.5797 -7.5667 -7.3862 -7.3599 -3.2058 -3.1946 -1.6432 -1.6408 -0.3858 -0.3761 -0.3110 -0.3031 1.4923 1.5084 2.0472 2.0807 2.2253 2.2785 2.7111 2.7430 3.2743 3.2857 3.8489 3.8642 4.0303 4.0496 4.1936 4.2078 7.3848 7.3937 7.6398 7.6601 8.4145 8.4258 8.7731 8.7780 k = 0.3125 0.2743 0.6849 ( 4298 PWs) bands (ev): -10.7779 -10.7497 -10.0474 -10.0141 -9.9746 -9.8030 -9.3477 -9.2265 -9.1306 -9.1216 -9.0169 -8.9955 -8.0051 -7.9996 -7.5818 -7.5671 -7.3850 -7.3594 -3.2080 -3.1971 -1.6424 -1.6400 -0.3778 -0.3680 -0.2939 -0.2863 1.4566 1.4717 2.0439 2.0765 2.2228 2.2721 2.7272 2.7583 3.2691 3.2813 3.8273 3.8408 4.0361 4.0569 4.2171 4.2308 7.3730 7.3817 7.6409 7.6609 8.4270 8.4385 8.7821 8.7867 k = 0.3229 0.2835 0.6727 ( 4298 PWs) bands (ev): -10.7780 -10.7503 -10.0476 -10.0154 -9.9708 -9.8055 -9.3462 -9.2272 -9.1304 -9.1215 -9.0179 -8.9959 -8.0040 -7.9983 -7.5839 -7.5677 -7.3841 -7.3592 -3.2097 -3.1993 -1.6412 -1.6389 -0.3688 -0.3588 -0.2743 -0.2671 1.4164 1.4306 2.0392 2.0710 2.2198 2.2654 2.7451 2.7761 3.2629 3.2758 3.8066 3.8189 4.0417 4.0635 4.2407 4.2538 7.3608 7.3692 7.6418 7.6616 8.4410 8.4529 8.7918 8.7961 k = 0.3333 0.2926 0.6605 ( 4296 PWs) bands (ev): -10.7781 -10.7510 -10.0478 -10.0165 -9.9668 -9.8082 -9.3447 -9.2278 -9.1302 -9.1213 -9.0190 -8.9962 -8.0028 -7.9968 -7.5860 -7.5685 -7.3837 -7.3597 -3.2106 -3.2008 -1.6397 -1.6374 -0.3588 -0.3489 -0.2525 -0.2458 1.3724 1.3858 2.0332 2.0642 2.2164 2.2584 2.7647 2.7958 3.2557 3.2694 3.7873 3.7988 4.0466 4.0691 4.2640 4.2765 7.3484 7.3566 7.6426 7.6620 8.4564 8.4688 8.8017 8.8062 k = 0.3438 0.3018 0.6483 ( 4293 PWs) bands (ev): -10.7783 -10.7516 -10.0480 -10.0173 -9.9627 -9.8110 -9.3433 -9.2282 -9.1299 -9.1211 -9.0201 -8.9966 -8.0014 -7.9953 -7.5881 -7.5695 -7.3839 -7.3608 -3.2106 -3.2013 -1.6377 -1.6354 -0.3481 -0.3384 -0.2289 -0.2228 1.3253 1.3381 2.0260 2.0563 2.2126 2.2514 2.7855 2.8171 3.2477 3.2620 3.7694 3.7806 4.0507 4.0737 4.2866 4.2984 7.3365 7.3443 7.6434 7.6625 8.4729 8.4859 8.8117 8.8167 k = 0.3542 0.3109 0.6362 ( 4295 PWs) bands (ev): -10.7785 -10.7522 -10.0482 -10.0179 -9.9586 -9.8138 -9.3420 -9.2284 -9.1297 -9.1210 -9.0212 -8.9968 -8.0000 -7.9937 -7.5901 -7.5707 -7.3850 -7.3627 -3.2095 -3.2008 -1.6353 -1.6330 -0.3369 -0.3274 -0.2038 -0.1983 1.2757 1.2881 2.0178 2.0475 2.2086 2.2445 2.8074 2.8397 3.2390 3.2538 3.7531 3.7643 4.0539 4.0770 4.3080 4.3191 7.3253 7.3327 7.6444 7.6630 8.4901 8.5040 8.8216 8.8277 k = 0.3646 0.3201 0.6240 ( 4289 PWs) bands (ev): -10.7787 -10.7528 -10.0484 -10.0182 -9.9546 -9.8165 -9.3409 -9.2282 -9.1296 -9.1208 -9.0224 -8.9970 -7.9984 -7.9921 -7.5921 -7.5718 -7.3869 -7.3655 -3.2072 -3.1991 -1.6323 -1.6300 -0.3253 -0.3160 -0.1775 -0.1726 1.2243 1.2364 2.0088 2.0380 2.2043 2.2377 2.8302 2.8630 3.2297 3.2448 3.7383 3.7497 4.0559 4.0791 4.3278 4.3382 7.3152 7.3222 7.6457 7.6638 8.5075 8.5227 8.8315 8.8391 k = 0.3750 0.3292 0.6118 ( 4297 PWs) bands (ev): -10.7790 -10.7533 -10.0486 -10.0184 -9.9507 -9.8191 -9.3399 -9.2276 -9.1294 -9.1207 -9.0236 -8.9971 -7.9968 -7.9904 -7.5940 -7.5731 -7.3898 -7.3691 -3.2035 -3.1960 -1.6287 -1.6263 -0.3135 -0.3044 -0.1506 -0.1463 1.1716 1.1837 1.9992 2.0278 2.2000 2.2312 2.8535 2.8868 3.2200 3.2353 3.7249 3.7368 4.0567 4.0799 4.3456 4.3553 7.3065 7.3131 7.6473 7.6650 8.5249 8.5415 8.8412 8.8508 k = 0.3854 0.3384 0.5997 ( 4293 PWs) bands (ev): -10.7793 -10.7537 -10.0486 -10.0183 -9.9470 -9.8214 -9.3393 -9.2267 -9.1293 -9.1206 -9.0248 -8.9972 -7.9950 -7.9886 -7.5957 -7.5743 -7.3937 -7.3736 -3.1984 -3.1915 -1.6245 -1.6220 -0.3016 -0.2927 -0.1235 -0.1197 1.1183 1.1305 1.9891 2.0173 2.1958 2.2252 2.8772 2.9106 3.2102 3.2254 3.7130 3.7254 4.0564 4.0795 4.3611 4.3700 7.2995 7.3056 7.6495 7.6667 8.5417 8.5600 8.8509 8.8628 k = 0.3958 0.3475 0.5875 ( 4291 PWs) bands (ev): -10.7797 -10.7540 -10.0486 -10.0180 -9.9434 -9.8235 -9.3389 -9.2253 -9.1292 -9.1205 -9.0260 -8.9971 -7.9932 -7.9868 -7.5974 -7.5755 -7.3987 -7.3789 -3.1920 -3.1857 -1.6195 -1.6169 -0.2897 -0.2809 -0.0965 -0.0932 1.0650 1.0774 1.9787 2.0065 2.1919 2.2197 2.9009 2.9342 3.2005 3.2153 3.7023 3.7152 4.0550 4.0779 4.3740 4.3822 7.2942 7.2999 7.6520 7.6687 8.5574 8.5778 8.8602 8.8748 k = 0.4062 0.3567 0.5753 ( 4288 PWs) bands (ev): -10.7802 -10.7543 -10.0485 -10.0176 -9.9403 -9.8251 -9.3388 -9.2236 -9.1291 -9.1205 -9.0273 -8.9970 -7.9914 -7.9849 -7.5991 -7.5767 -7.4046 -7.3850 -3.1844 -3.1786 -1.6136 -1.6109 -0.2778 -0.2693 -0.0702 -0.0673 1.0122 1.0247 1.9681 1.9956 2.1886 2.2150 2.9244 2.9570 3.1911 3.2053 3.6927 3.7062 4.0526 4.0752 4.3840 4.3915 7.2908 7.2960 7.6549 7.6712 8.5714 8.5943 8.8689 8.8865 k = 0.4167 0.3658 0.5632 ( 4296 PWs) bands (ev): -10.7807 -10.7545 -10.0483 -10.0170 -9.9375 -9.8264 -9.3390 -9.2215 -9.1291 -9.1205 -9.0285 -8.9968 -7.9894 -7.9830 -7.6006 -7.5779 -7.4113 -7.3917 -3.1756 -3.1703 -1.6068 -1.6039 -0.2662 -0.2577 -0.0450 -0.0425 0.9604 0.9732 1.9573 1.9845 2.1861 2.2112 2.9472 2.9786 3.1825 3.1959 3.6841 3.6981 4.0492 4.0716 4.3909 4.3978 7.2892 7.2940 7.6580 7.6740 8.5831 8.6088 8.8758 8.8969 k = 0.4271 0.3749 0.5510 ( 4287 PWs) bands (ev): -10.7813 -10.7547 -10.0479 -10.0163 -9.9352 -9.8271 -9.3394 -9.2190 -9.1292 -9.1205 -9.0296 -8.9966 -7.9874 -7.9810 -7.6021 -7.5792 -7.4188 -7.3990 -3.1659 -3.1610 -1.5989 -1.5959 -0.2549 -0.2465 -0.0214 -0.0190 0.9102 0.9232 1.9464 1.9733 2.1845 2.2087 2.9688 2.9984 3.1750 3.1876 3.6762 3.6907 4.0451 4.0672 4.3948 4.4012 7.2895 7.2938 7.6611 7.6767 8.5919 8.6210 8.8794 8.9043 k = 0.4375 0.3841 0.5388 ( 4280 PWs) bands (ev): -10.7819 -10.7548 -10.0475 -10.0156 -9.9334 -9.8273 -9.3400 -9.2162 -9.1293 -9.1205 -9.0308 -8.9963 -7.9854 -7.9791 -7.6037 -7.5804 -7.4268 -7.4065 -3.1555 -3.1510 -1.5898 -1.5867 -0.2440 -0.2356 0.0002 0.0025 0.8621 0.8753 1.9354 1.9621 2.1841 2.2076 2.9883 3.0155 3.1689 3.1814 3.6688 3.6838 4.0405 4.0623 4.3956 4.4015 7.2914 7.2954 7.6638 7.6791 8.5974 8.6303 8.8780 8.9059 k = 0.4479 0.3932 0.5267 ( 4280 PWs) bands (ev): -10.7826 -10.7549 -10.0468 -10.0147 -9.9321 -9.8270 -9.3408 -9.2133 -9.1296 -9.1206 -9.0319 -8.9961 -7.9834 -7.9771 -7.6052 -7.5817 -7.4351 -7.4143 -3.1447 -3.1405 -1.5794 -1.5762 -0.2336 -0.2252 0.0194 0.0218 0.8166 0.8299 1.9243 1.9509 2.1851 2.2080 3.0046 3.0292 3.1642 3.1786 3.6618 3.6772 4.0357 4.0571 4.3934 4.3989 7.2948 7.2986 7.6656 7.6807 8.5992 8.6364 8.8713 8.9000 k = 0.4583 0.4024 0.5145 ( 4278 PWs) bands (ev): -10.7833 -10.7550 -10.0461 -10.0137 -9.9314 -9.8262 -9.3416 -9.2102 -9.1299 -9.1207 -9.0330 -8.9958 -7.9813 -7.9751 -7.6068 -7.5831 -7.4435 -7.4220 -3.1338 -3.1298 -1.5676 -1.5643 -0.2238 -0.2154 0.0358 0.0384 0.7741 0.7875 1.9133 1.9397 2.1876 2.2102 3.0164 3.0392 3.1615 3.1799 3.6550 3.6707 4.0309 4.0520 4.3884 4.3936 7.2995 7.3033 7.6660 7.6809 8.5974 8.6389 8.8614 8.8880 k = 0.4688 0.4115 0.5023 ( 4276 PWs) bands (ev): -10.7841 -10.7551 -10.0452 -10.0127 -9.9312 -9.8251 -9.3425 -9.2070 -9.1303 -9.1207 -9.0341 -8.9955 -7.9792 -7.9731 -7.6084 -7.5847 -7.4517 -7.4295 -3.1231 -3.1193 -1.5543 -1.5508 -0.2148 -0.2063 0.0492 0.0520 0.7351 0.7486 1.9023 1.9286 2.1918 2.2143 3.0225 3.0452 3.1617 3.1851 3.6479 3.6639 4.0266 4.0472 4.3808 4.3858 7.3051 7.3093 7.6646 7.6794 8.5925 8.6382 8.8509 8.8737 k = 0.4792 0.4207 0.4902 ( 4279 PWs) bands (ev): -10.7849 -10.7553 -10.0441 -10.0117 -9.9315 -9.8236 -9.3434 -9.2039 -9.1307 -9.1208 -9.0352 -8.9953 -7.9771 -7.9711 -7.6102 -7.5864 -7.4595 -7.4367 -3.1131 -3.1093 -1.5393 -1.5357 -0.2067 -0.1981 0.0592 0.0623 0.7000 0.7133 1.8915 1.9177 2.1976 2.2201 3.0233 3.0471 3.1654 3.1929 3.6403 3.6566 4.0231 4.0434 4.3709 4.3758 7.3115 7.3164 7.6609 7.6755 8.5857 8.6349 8.8417 8.8604 k = 0.4896 0.4298 0.4780 ( 4281 PWs) bands (ev): -10.7857 -10.7555 -10.0430 -10.0105 -9.9322 -9.8219 -9.3443 -9.2009 -9.1313 -9.1209 -9.0363 -8.9952 -7.9750 -7.9690 -7.6121 -7.5884 -7.4665 -7.4432 -3.1040 -3.1002 -1.5226 -1.5188 -0.1996 -0.1909 0.0661 0.0695 0.6689 0.6821 1.8811 1.9072 2.2051 2.2279 3.0201 3.0450 3.1720 3.2020 3.6320 3.6484 4.0208 4.0408 4.3591 4.3640 7.3184 7.3241 7.6546 7.6689 8.5782 8.6300 8.8341 8.8493 k = 0.5000 0.4390 0.4658 ( 4280 PWs) bands (ev): -10.7866 -10.7558 -10.0418 -10.0094 -9.9332 -9.8201 -9.3450 -9.1981 -9.1319 -9.1211 -9.0374 -8.9952 -7.9729 -7.9669 -7.6141 -7.5905 -7.4725 -7.4490 -3.0962 -3.0923 -1.5041 -1.5002 -0.1938 -0.1849 0.0697 0.0734 0.6420 0.6549 1.8712 1.8973 2.2142 2.2373 3.0140 3.0396 3.1801 3.2111 3.6225 3.6391 4.0202 4.0399 4.3457 4.3507 7.3255 7.3323 7.6455 7.6596 8.5713 8.6245 8.8280 8.8408 k = 0.5000 0.4390 0.4658 ( 4280 PWs) bands (ev): -10.7866 -10.7558 -10.0418 -10.0094 -9.9332 -9.8201 -9.3450 -9.1981 -9.1319 -9.1211 -9.0374 -8.9952 -7.9729 -7.9669 -7.6141 -7.5905 -7.4725 -7.4490 -3.0962 -3.0923 -1.5041 -1.5002 -0.1938 -0.1849 0.0697 0.0734 0.6420 0.6549 1.8712 1.8973 2.2142 2.2373 3.0140 3.0396 3.1801 3.2111 3.6225 3.6391 4.0202 4.0399 4.3457 4.3507 7.3255 7.3323 7.6455 7.6596 8.5713 8.6245 8.8280 8.8408 k = 0.5000 0.4390 0.4472 ( 4274 PWs) bands (ev): -10.7879 -10.7565 -10.0397 -10.0076 -9.9350 -9.8176 -9.3458 -9.1941 -9.1329 -9.1213 -9.0390 -8.9953 -7.9697 -7.9638 -7.6170 -7.5937 -7.4808 -7.4573 -3.0857 -3.0817 -1.4742 -1.4701 -0.1859 -0.1768 0.0732 0.0774 0.6044 0.6167 1.8579 1.8839 2.2292 2.2529 3.0015 3.0278 3.1938 3.2246 3.6071 3.6241 4.0205 4.0398 4.3240 4.3291 7.3341 7.3432 7.6292 7.6427 8.5617 8.6157 8.8180 8.8289 k = 0.5000 0.4390 0.4285 ( 4276 PWs) bands (ev): -10.7891 -10.7573 -10.0374 -10.0059 -9.9366 -9.8156 -9.3459 -9.1904 -9.1339 -9.1215 -9.0405 -8.9956 -7.9669 -7.9611 -7.6194 -7.5966 -7.4889 -7.4654 -3.0757 -3.0716 -1.4442 -1.4399 -0.1777 -0.1685 0.0766 0.0815 0.5679 0.5796 1.8474 1.8732 2.2436 2.2678 2.9866 3.0138 3.2082 3.2379 3.5919 3.6097 4.0206 4.0394 4.3022 4.3074 7.3380 7.3499 7.6124 7.6251 8.5529 8.6062 8.8043 8.8148 k = 0.5000 0.4390 0.4099 ( 4276 PWs) bands (ev): -10.7903 -10.7581 -10.0348 -10.0043 -9.9380 -9.8140 -9.3456 -9.1871 -9.1350 -9.1217 -9.0419 -8.9961 -7.9647 -7.9590 -7.6212 -7.5992 -7.4967 -7.4734 -3.0662 -3.0621 -1.4141 -1.4096 -0.1694 -0.1601 0.0800 0.0856 0.5333 0.5442 1.8400 1.8655 2.2573 2.2819 2.9700 2.9981 3.2225 3.2502 3.5771 3.5960 4.0206 4.0387 4.2803 4.2855 7.3364 7.3517 7.5960 7.6081 8.5446 8.5962 8.7864 8.7974 k = 0.5000 0.4390 0.3913 ( 4274 PWs) bands (ev): -10.7914 -10.7592 -10.0321 -10.0028 -9.9392 -9.8129 -9.3446 -9.1840 -9.1362 -9.1220 -9.0431 -8.9966 -7.9630 -7.9575 -7.6224 -7.6013 -7.5041 -7.4811 -3.0575 -3.0534 -1.3843 -1.3797 -0.1610 -0.1517 0.0828 0.0894 0.5009 0.5109 1.8359 1.8609 2.2701 2.2951 2.9521 2.9814 3.2357 3.2609 3.5626 3.5833 4.0204 4.0379 4.2587 4.2639 7.3292 7.3482 7.5806 7.5925 8.5364 8.5855 8.7643 8.7763 k = 0.5000 0.4390 0.3727 ( 4286 PWs) bands (ev): -10.7924 -10.7603 -10.0293 -10.0013 -9.9401 -9.8122 -9.3431 -9.1814 -9.1375 -9.1223 -9.0441 -8.9973 -7.9619 -7.9566 -7.6229 -7.6029 -7.5112 -7.4885 -3.0496 -3.0455 -1.3551 -1.3503 -0.1525 -0.1433 0.0850 0.0925 0.4715 0.4804 1.8351 1.8597 2.2818 2.3072 2.9334 2.9638 3.2474 3.2696 3.5488 3.5718 4.0201 4.0368 4.2375 4.2426 7.3168 7.3394 7.5667 7.5790 8.5277 8.5735 8.7384 8.7516 k = 0.5000 0.4390 0.3540 ( 4282 PWs) bands (ev): -10.7934 -10.7615 -10.0263 -9.9999 -9.9408 -9.8121 -9.3409 -9.1792 -9.1389 -9.1226 -9.0449 -8.9981 -7.9615 -7.9563 -7.6227 -7.6039 -7.5179 -7.4956 -3.0425 -3.0385 -1.3267 -1.3217 -0.1441 -0.1351 0.0859 0.0946 0.4455 0.4534 1.8379 1.8620 2.2923 2.3182 2.9141 2.9457 3.2566 3.2755 3.5358 3.5618 4.0199 4.0357 4.2169 4.2218 7.3001 7.3260 7.5543 7.5674 8.5178 8.5596 8.7091 8.7238 k = 0.5000 0.4390 0.3354 ( 4274 PWs) bands (ev): -10.7942 -10.7629 -10.0232 -9.9985 -9.9412 -9.8125 -9.3383 -9.1774 -9.1403 -9.1229 -9.0455 -8.9991 -7.9618 -7.9567 -7.6218 -7.6043 -7.5241 -7.5022 -3.0364 -3.0323 -1.2992 -1.2941 -0.1358 -0.1269 0.0853 0.0952 0.4236 0.4304 1.8443 1.8679 2.3015 2.3279 2.8946 2.9274 3.2624 3.2781 3.5244 3.5535 4.0196 4.0345 4.1972 4.2019 7.2804 7.3090 7.5432 7.5572 8.5058 8.5432 8.6772 8.6932 k = 0.5000 0.4390 0.3168 ( 4274 PWs) bands (ev): -10.7950 -10.7643 -10.0200 -9.9972 -9.9413 -9.8135 -9.3350 -9.1760 -9.1417 -9.1234 -9.0459 -9.0001 -7.9628 -7.9577 -7.6203 -7.6041 -7.5299 -7.5084 -3.0311 -3.0271 -1.2730 -1.2678 -0.1276 -0.1189 0.0829 0.0938 0.4061 0.4118 1.8545 1.8775 2.3093 2.3362 2.8751 2.9090 3.2638 3.2768 3.5150 3.5474 4.0194 4.0333 4.1785 4.1828 7.2590 7.2895 7.5331 7.5478 8.4913 8.5236 8.6433 8.6605 k = 0.5000 0.4390 0.2981 ( 4274 PWs) bands (ev): -10.7956 -10.7658 -10.0169 -9.9960 -9.9411 -9.8149 -9.3313 -9.1751 -9.1431 -9.1239 -9.0461 -9.0012 -7.9644 -7.9593 -7.6181 -7.6033 -7.5353 -7.5141 -3.0267 -3.0229 -1.2482 -1.2429 -0.1195 -0.1110 0.0784 0.0903 0.3933 0.3980 1.8685 1.8909 2.3156 2.3430 2.8559 2.8908 3.2598 3.2711 3.5084 3.5436 4.0193 4.0321 4.1609 4.1648 7.2368 7.2687 7.5236 7.5387 8.4738 8.5007 8.6080 8.6262 k = 0.5000 0.4390 0.2795 ( 4270 PWs) bands (ev): -10.7962 -10.7673 -10.0138 -9.9948 -9.9406 -9.8168 -9.3270 -9.1748 -9.1443 -9.1244 -9.0460 -9.0025 -7.9666 -7.9614 -7.6155 -7.6021 -7.5402 -7.5194 -3.0231 -3.0195 -1.2251 -1.2197 -0.1114 -0.1032 0.0720 0.0846 0.3849 0.3888 1.8864 1.9080 2.3204 2.3482 2.8373 2.8730 3.2497 3.2603 3.5052 3.5424 4.0192 4.0310 4.1446 4.1481 7.2150 7.2476 7.5146 7.5298 8.4533 8.4746 8.5719 8.5908 k = 0.5000 0.4390 0.2609 ( 4268 PWs) bands (ev): -10.7966 -10.7689 -10.0108 -9.9937 -9.9397 -9.8192 -9.3223 -9.1751 -9.1455 -9.1251 -9.0457 -9.0038 -7.9692 -7.9640 -7.6124 -7.6004 -7.5446 -7.5241 -3.0204 -3.0169 -1.2038 -1.1984 -0.1033 -0.0954 0.0641 0.0770 0.3806 0.3838 1.9080 1.9289 2.3236 2.3518 2.8195 2.8557 3.2335 3.2439 3.5056 3.5436 4.0193 4.0300 4.1297 4.1328 7.1940 7.2269 7.5060 7.5210 8.4298 8.4456 8.5354 8.5546 k = 0.5000 0.4390 0.2422 ( 4260 PWs) bands (ev): -10.7969 -10.7706 -10.0079 -9.9926 -9.9383 -9.8220 -9.3172 -9.1760 -9.1463 -9.1258 -9.0452 -9.0052 -7.9723 -7.9669 -7.6090 -7.5983 -7.5486 -7.5284 -3.0184 -3.0151 -1.1844 -1.1790 -0.0952 -0.0876 0.0551 0.0681 0.3796 0.3823 1.9335 1.9536 2.3253 2.3537 2.8028 2.8392 3.2117 3.2218 3.5091 3.5470 4.0196 4.0292 4.1161 4.1188 7.1745 7.2071 7.4978 7.5124 8.4038 8.4144 8.4987 8.5179 k = 0.5000 0.4390 0.2236 ( 4264 PWs) bands (ev): -10.7972 -10.7723 -10.0053 -9.9916 -9.9365 -9.8253 -9.3118 -9.1776 -9.1469 -9.1266 -9.0445 -9.0066 -7.9755 -7.9701 -7.6054 -7.5960 -7.5521 -7.5322 -3.0171 -3.0140 -1.1670 -1.1617 -0.0871 -0.0798 0.0456 0.0584 0.3813 0.3835 1.9626 1.9820 2.3257 2.3539 2.7875 2.8235 3.1847 3.1943 3.5153 3.5520 4.0199 4.0286 4.1039 4.1063 7.1566 7.1887 7.4903 7.5042 8.3758 8.3821 8.4622 8.4808 k = 0.5000 0.4390 0.2050 ( 4270 PWs) bands (ev): -10.7973 -10.7740 -10.0028 -9.9908 -9.9342 -9.8290 -9.3060 -9.1799 -9.1473 -9.1275 -9.0436 -9.0082 -7.9790 -7.9735 -7.6017 -7.5935 -7.5551 -7.5356 -3.0164 -3.0135 -1.1516 -1.1465 -0.0789 -0.0719 0.0362 0.0484 0.3848 0.3867 1.9953 2.0138 2.3248 2.3526 2.7736 2.8088 3.1531 3.1619 3.5233 3.5582 4.0204 4.0282 4.0930 4.0951 7.1407 7.1717 7.4836 7.4968 8.3465 8.3494 8.4260 8.4436 k = 0.5000 0.4390 0.1863 ( 4278 PWs) bands (ev): -10.7973 -10.7757 -10.0006 -9.9900 -9.9315 -9.8330 -9.2999 -9.1827 -9.1473 -9.1284 -9.0425 -9.0097 -7.9824 -7.9770 -7.5980 -7.5910 -7.5575 -7.5385 -3.0162 -3.0135 -1.1383 -1.1334 -0.0707 -0.0641 0.0272 0.0387 0.3895 0.3911 2.0313 2.0489 2.3229 2.3498 2.7613 2.7952 3.1173 3.1252 3.5327 3.5653 4.0209 4.0280 4.0834 4.0854 7.1266 7.1562 7.4780 7.4902 8.3165 8.3175 8.3904 8.4066 k = 0.5000 0.4390 0.1677 ( 4278 PWs) bands (ev): -10.7971 -10.7774 -9.9987 -9.9893 -9.9283 -9.8373 -9.2936 -9.1862 -9.1471 -9.1295 -9.0413 -9.0114 -7.9859 -7.9806 -7.5946 -7.5885 -7.5594 -7.5410 -3.0164 -3.0140 -1.1269 -1.1222 -0.0625 -0.0564 0.0189 0.0297 0.3949 0.3962 2.0703 2.0871 2.3203 2.3459 2.7506 2.7828 3.0778 3.0847 3.5428 3.5728 4.0214 4.0280 4.0750 4.0771 7.1145 7.1422 7.4737 7.4847 8.2856 8.2878 8.3557 8.3703 k = 0.5000 0.4390 0.1491 ( 4284 PWs) bands (ev): -10.7969 -10.7791 -9.9969 -9.9887 -9.9246 -9.8419 -9.2871 -9.1901 -9.1468 -9.1305 -9.0400 -9.0130 -7.9891 -7.9841 -7.5915 -7.5862 -7.5606 -7.5432 -3.0168 -3.0147 -1.1173 -1.1130 -0.0545 -0.0488 0.0116 0.0214 0.4004 0.4015 2.1120 2.1279 2.3171 2.3411 2.7416 2.7715 3.0353 3.0412 3.5532 3.5804 4.0217 4.0279 4.0678 4.0700 7.1042 7.1298 7.4707 7.4806 8.2561 8.2594 8.3224 8.3353 k = 0.5000 0.4390 0.1304 ( 4286 PWs) bands (ev): -10.7965 -10.7807 -9.9954 -9.9883 -9.9206 -9.8468 -9.2805 -9.1945 -9.1463 -9.1317 -9.0386 -9.0147 -7.9921 -7.9874 -7.5889 -7.5841 -7.5612 -7.5449 -3.0175 -3.0156 -1.1094 -1.1055 -0.0467 -0.0416 0.0053 0.0141 0.4057 0.4067 2.1556 2.1708 2.3139 2.3359 2.7342 2.7614 2.9903 2.9952 3.5636 3.5877 4.0220 4.0278 4.0619 4.0642 7.0957 7.1188 7.4691 7.4777 8.2286 8.2325 8.2912 8.3023 k = 0.5000 0.4390 0.1118 ( 4282 PWs) bands (ev): -10.7960 -10.7823 -9.9941 -9.9880 -9.9162 -9.8518 -9.2738 -9.1992 -9.1456 -9.1328 -9.0371 -9.0165 -7.9948 -7.9905 -7.5867 -7.5825 -7.5611 -7.5464 -3.0183 -3.0166 -1.1030 -1.0996 -0.0394 -0.0350 0.0001 0.0078 0.4106 0.4114 2.2003 2.2151 2.3112 2.3310 2.7284 2.7524 2.9434 2.9474 3.5735 3.5945 4.0220 4.0274 4.0571 4.0596 7.0889 7.1091 7.4689 7.4761 8.2036 8.2076 8.2626 8.2720 k = 0.5000 0.4390 0.0932 ( 4282 PWs) bands (ev): -10.7954 -10.7839 -9.9929 -9.9879 -9.9114 -9.8571 -9.2671 -9.2043 -9.1448 -9.1340 -9.0356 -9.0182 -7.9971 -7.9934 -7.5850 -7.5814 -7.5603 -7.5476 -3.0191 -3.0177 -1.0979 -1.0950 -0.0328 -0.0292 -0.0038 0.0027 0.4150 0.4157 2.2438 2.2590 2.3104 2.3282 2.7239 2.7446 2.8956 2.8989 3.5827 3.6004 4.0218 4.0266 4.0537 4.0561 7.0835 7.1007 7.4697 7.4756 8.1812 8.1850 8.2375 8.2451 k = 0.5000 0.4390 0.0745 ( 4280 PWs) bands (ev): -10.7947 -10.7854 -9.9919 -9.9878 -9.9064 -9.8625 -9.2603 -9.2097 -9.1440 -9.1352 -9.0339 -9.0200 -7.9989 -7.9959 -7.5837 -7.5807 -7.5591 -7.5487 -3.0198 -3.0187 -1.0940 -1.0916 -0.0273 -0.0246 -0.0065 -0.0013 0.4187 0.4192 2.2775 2.2941 2.3192 2.3348 2.7209 2.7378 2.8480 2.8507 3.5910 3.6053 4.0214 4.0256 4.0514 4.0535 7.0796 7.0935 7.4713 7.4758 8.1620 8.1652 8.2165 8.2224 k = 0.5000 0.4390 0.0559 ( 4282 PWs) bands (ev): -10.7939 -10.7869 -9.9910 -9.9879 -9.9012 -9.8680 -9.2535 -9.2154 -9.1431 -9.1364 -9.0323 -9.0217 -8.0003 -7.9979 -7.5827 -7.5804 -7.5576 -7.5497 -3.0204 -3.0196 -1.0911 -1.0893 -0.0231 -0.0215 -0.0078 -0.0040 0.4216 0.4220 2.2899 2.3013 2.3536 2.3629 2.7189 2.7320 2.8025 2.8047 3.5981 3.6089 4.0210 4.0242 4.0500 4.0517 7.0770 7.0876 7.4732 7.4766 8.1463 8.1487 8.2000 8.2043 k = 0.5000 0.4390 0.0373 ( 4294 PWs) bands (ev): -10.7930 -10.7883 -9.9902 -9.9882 -9.8959 -9.8736 -9.2468 -9.2213 -9.1421 -9.1376 -9.0306 -9.0235 -8.0012 -7.9996 -7.5819 -7.5804 -7.5560 -7.5507 -3.0209 -3.0203 -1.0890 -1.0878 -0.0207 -0.0199 -0.0078 -0.0054 0.4238 0.4240 2.2925 2.2997 2.3916 2.3978 2.7178 2.7271 2.7625 2.7643 3.6038 3.6111 4.0207 4.0229 4.0494 4.0506 7.0757 7.0828 7.4751 7.4773 8.1346 8.1362 8.1883 8.1910 k = 0.5000 0.4390 0.0186 ( 4296 PWs) bands (ev): -10.7920 -10.7896 -9.9895 -9.9885 -9.8904 -9.8792 -9.2402 -9.2275 -9.1410 -9.1388 -9.0288 -9.0253 -8.0016 -8.0007 -7.5813 -7.5805 -7.5545 -7.5518 -3.0211 -3.0208 -1.0877 -1.0871 -0.0196 -0.0193 -0.0071 -0.0060 0.4251 0.4252 2.2936 2.2972 2.4212 2.4246 2.7166 2.7222 2.7342 2.7360 3.6081 3.6117 4.0207 4.0218 4.0492 4.0498 7.0757 7.0792 7.4767 7.4777 8.1275 8.1282 8.1815 8.1828 k = 0.5000 0.4390 0.0000 ( 4302 PWs) bands (ev): -10.7908 -10.7908 -9.9890 -9.9890 -9.8848 -9.8848 -9.2338 -9.2338 -9.1399 -9.1399 -9.0271 -9.0271 -8.0014 -8.0014 -7.5808 -7.5808 -7.5531 -7.5531 -3.0211 -3.0211 -1.0871 -1.0871 -0.0193 -0.0193 -0.0064 -0.0064 0.4256 0.4256 2.2951 2.2951 2.4338 2.4338 2.7156 2.7156 2.7270 2.7270 3.6107 3.6107 4.0211 4.0211 4.0494 4.0494 7.0768 7.0768 7.4776 7.4776 8.1253 8.1253 8.1796 8.1796 k = 0.0000 0.0000 0.7579 ( 4304 PWs) bands (ev): -10.7630 -10.7630 -10.0410 -10.0410 -9.8844 -9.8844 -9.2825 -9.2825 -9.1219 -9.1219 -9.0083 -9.0083 -8.0140 -8.0140 -7.5600 -7.5600 -7.3722 -7.3722 -3.2176 -3.2176 -1.7836 -1.7836 -0.2540 -0.2540 0.0473 0.0473 1.0627 1.0627 2.0301 2.0301 2.1926 2.1926 2.8642 2.8642 3.2089 3.2089 3.8263 3.8263 3.9936 3.9936 4.5474 4.5474 7.1047 7.1047 7.6768 7.6768 8.5030 8.5030 8.8863 8.8863 k = 0.0139 0.0122 0.7579 ( 4292 PWs) bands (ev): -10.7643 -10.7617 -10.0419 -10.0401 -9.8919 -9.8769 -9.2879 -9.2771 -9.1225 -9.1214 -9.0090 -9.0075 -8.0141 -8.0138 -7.5601 -7.5600 -7.3734 -7.3710 -3.2179 -3.2168 -1.7828 -1.7826 -0.2550 -0.2544 0.0429 0.0431 1.0672 1.0677 2.0299 2.0333 2.1911 2.1930 2.8631 2.8631 3.2086 3.2106 3.8267 3.8272 3.9920 3.9945 4.5445 4.5454 7.1067 7.1073 7.6756 7.6774 8.5017 8.5026 8.8854 8.8855 k = 0.0278 0.0244 0.7579 ( 4292 PWs) bands (ev): -10.7656 -10.7604 -10.0427 -10.0390 -9.8993 -9.8695 -9.2934 -9.2718 -9.1231 -9.1209 -9.0097 -9.0066 -8.0141 -8.0135 -7.5604 -7.5602 -7.3747 -7.3699 -3.2178 -3.2157 -1.7801 -1.7798 -0.2576 -0.2563 0.0301 0.0304 1.0808 1.0816 2.0326 2.0395 2.1886 2.1923 2.8597 2.8599 3.2096 3.2135 3.8282 3.8292 3.9898 3.9947 4.5368 4.5386 7.1134 7.1146 7.6738 7.6774 8.4989 8.5007 8.8829 8.8830 k = 0.0417 0.0366 0.7579 ( 4312 PWs) bands (ev): -10.7669 -10.7591 -10.0434 -10.0378 -9.9067 -9.8622 -9.2989 -9.2667 -9.1238 -9.1206 -9.0103 -9.0057 -8.0140 -8.0130 -7.5609 -7.5605 -7.3761 -7.3690 -3.2174 -3.2143 -1.7757 -1.7753 -0.2616 -0.2597 0.0098 0.0103 1.1025 1.1038 2.0381 2.0484 2.1850 2.1905 2.8541 2.8547 3.2119 3.2175 3.8309 3.8324 3.9868 3.9942 4.5244 4.5270 7.1245 7.1263 7.6714 7.6769 8.4945 8.4972 8.8788 8.8788 k = 0.0556 0.0488 0.7579 ( 4310 PWs) bands (ev): -10.7681 -10.7579 -10.0439 -10.0365 -9.9141 -9.8549 -9.3044 -9.2618 -9.1245 -9.1203 -9.0108 -9.0047 -8.0138 -8.0125 -7.5614 -7.5609 -7.3775 -7.3681 -3.2166 -3.2125 -1.7697 -1.7690 -0.2669 -0.2644 -0.0168 -0.0161 1.1312 1.1331 2.0462 2.0601 2.1803 2.1877 2.8464 2.8476 3.2154 3.2225 3.8348 3.8368 3.9833 3.9931 4.5076 4.5111 7.1397 7.1421 7.6686 7.6758 8.4887 8.4922 8.8731 8.8732 k = 0.0694 0.0610 0.7579 ( 4306 PWs) bands (ev): -10.7693 -10.7566 -10.0445 -10.0350 -9.9212 -9.8479 -9.3098 -9.2570 -9.1252 -9.1202 -9.0113 -9.0037 -8.0135 -8.0119 -7.5621 -7.5615 -7.3789 -7.3673 -3.2154 -3.2104 -1.7621 -1.7613 -0.2734 -0.2702 -0.0482 -0.0473 1.1654 1.1679 2.0567 2.0742 2.1745 2.1838 2.8368 2.8390 3.2200 3.2284 3.8400 3.8425 3.9792 3.9914 4.4869 4.4912 7.1585 7.1615 7.6654 7.6743 8.4816 8.4860 8.8658 8.8661 k = 0.0833 0.0732 0.7579 ( 4306 PWs) bands (ev): -10.7704 -10.7554 -10.0449 -10.0334 -9.9283 -9.8411 -9.3152 -9.2525 -9.1260 -9.1201 -9.0117 -9.0026 -8.0131 -8.0112 -7.5629 -7.5621 -7.3803 -7.3666 -3.2140 -3.2080 -1.7531 -1.7521 -0.2808 -0.2769 -0.0831 -0.0820 1.2037 1.2069 2.0692 2.0905 2.1676 2.1790 2.8254 2.8290 3.2255 3.2348 3.8465 3.8495 3.9746 3.9892 4.4625 4.4676 7.1804 7.1840 7.6620 7.6725 8.4734 8.4786 8.8572 8.8577 k = 0.0972 0.0854 0.7579 ( 4298 PWs) bands (ev): -10.7715 -10.7543 -10.0453 -10.0316 -9.9352 -9.8345 -9.3203 -9.2482 -9.1267 -9.1201 -9.0120 -9.0015 -8.0127 -8.0105 -7.5638 -7.5629 -7.3818 -7.3659 -3.2124 -3.2055 -1.7429 -1.7418 -0.2889 -0.2843 -0.1201 -0.1189 1.2448 1.2488 2.0835 2.1086 2.1597 2.1732 2.8124 2.8177 3.2316 3.2416 3.8544 3.8579 3.9696 3.9865 4.4351 4.4410 7.2047 7.2089 7.6585 7.6704 8.4643 8.4703 8.8473 8.8482 k = 0.1111 0.0975 0.7579 ( 4296 PWs) bands (ev): -10.7725 -10.7532 -10.0457 -10.0297 -9.9419 -9.8283 -9.3253 -9.2442 -9.1274 -9.1202 -9.0123 -9.0004 -8.0122 -8.0097 -7.5647 -7.5637 -7.3831 -7.3654 -3.2106 -3.2029 -1.7318 -1.7305 -0.2974 -0.2923 -0.1580 -0.1568 1.2875 1.2925 2.0988 2.1277 2.1511 2.1669 2.7981 2.8056 3.2382 3.2487 3.8638 3.8677 3.9644 3.9835 4.4051 4.4118 7.2307 7.2356 7.6549 7.6683 8.4546 8.4613 8.8365 8.8377 k = 0.1250 0.1097 0.7579 ( 4304 PWs) bands (ev): -10.7734 -10.7522 -10.0459 -10.0276 -9.9484 -9.8224 -9.3300 -9.2404 -9.1280 -9.1204 -9.0126 -8.9994 -8.0117 -8.0089 -7.5656 -7.5645 -7.3845 -7.3650 -3.2087 -3.2002 -1.7200 -1.7186 -0.3062 -0.3004 -0.1958 -0.1945 1.3307 1.3368 2.1138 2.1428 2.1447 2.1630 2.7827 2.7928 3.2451 3.2557 3.8746 3.8789 3.9591 3.9803 4.3731 4.3805 7.2576 7.2632 7.6514 7.6660 8.4444 8.4519 8.8249 8.8266 k = 0.1389 0.1219 0.7579 ( 4304 PWs) bands (ev): -10.7742 -10.7513 -10.0462 -10.0253 -9.9547 -9.8170 -9.3343 -9.2370 -9.1287 -9.1206 -9.0128 -8.9984 -8.0111 -8.0082 -7.5665 -7.5654 -7.3857 -7.3646 -3.2068 -3.1975 -1.7079 -1.7063 -0.3151 -0.3085 -0.2324 -0.2312 1.3733 1.3807 2.1205 2.1423 2.1453 2.1754 2.7666 2.7797 3.2520 3.2627 3.8869 3.8917 3.9539 3.9770 4.3397 4.3478 7.2848 7.2910 7.6481 7.6639 8.4342 8.4423 8.8129 8.8152 k = 0.1528 0.1341 0.7579 ( 4300 PWs) bands (ev): -10.7750 -10.7504 -10.0464 -10.0229 -9.9607 -9.8120 -9.3384 -9.2339 -9.1292 -9.1208 -9.0130 -8.9974 -8.0106 -8.0074 -7.5674 -7.5662 -7.3869 -7.3643 -3.2049 -3.1950 -1.6958 -1.6940 -0.3238 -0.3163 -0.2669 -0.2659 1.4144 1.4233 2.1128 2.1372 2.1556 2.1961 2.7501 2.7666 3.2587 3.2693 3.9005 3.9059 3.9492 3.9738 4.3053 4.3142 7.3113 7.3182 7.6450 7.6619 8.4242 8.4329 8.8009 8.8036 k = 0.1667 0.1463 0.7579 ( 4304 PWs) bands (ev): -10.7757 -10.7497 -10.0466 -10.0202 -9.9665 -9.8076 -9.3420 -9.2312 -9.1297 -9.1211 -9.0131 -8.9966 -8.0101 -8.0068 -7.5683 -7.5670 -7.3879 -7.3640 -3.2031 -3.1926 -1.6841 -1.6821 -0.3326 -0.3236 -0.2979 -0.2979 1.4531 1.4637 2.1013 2.1277 2.1717 2.2173 2.7336 2.7537 3.2651 3.2755 3.9147 3.9215 3.9458 3.9709 4.2706 4.2803 7.3364 7.3439 7.6423 7.6601 8.4147 8.4240 8.7892 8.7925 k = 0.1806 0.1585 0.7579 ( 4284 PWs) bands (ev): -10.7762 -10.7491 -10.0467 -10.0174 -9.9720 -9.8037 -9.3451 -9.2288 -9.1302 -9.1214 -9.0132 -8.9958 -8.0096 -8.0061 -7.5690 -7.5677 -7.3889 -7.3638 -3.2015 -3.1904 -1.6732 -1.6711 -0.3430 -0.3303 -0.3263 -0.3231 1.4884 1.5008 2.0891 2.1180 2.1873 2.2376 2.7177 2.7417 3.2709 3.2810 3.9260 3.9378 3.9475 3.9692 4.2362 4.2466 7.3593 7.3673 7.6399 7.6585 8.4061 8.4159 8.7783 8.7821 k = 0.1944 0.1707 0.7579 ( 4284 PWs) bands (ev): -10.7767 -10.7485 -10.0468 -10.0145 -9.9771 -9.8005 -9.3478 -9.2269 -9.1305 -9.1217 -9.0133 -8.9951 -8.0092 -8.0056 -7.5697 -7.5683 -7.3896 -7.3637 -3.2000 -3.1885 -1.6636 -1.6613 -0.3590 -0.3508 -0.3376 -0.3358 1.5193 1.5337 2.0772 2.1086 2.2014 2.2563 2.7030 2.7308 3.2759 3.2857 3.9284 3.9516 3.9603 3.9716 4.2024 4.2138 7.3792 7.3877 7.6379 7.6573 8.3986 8.4089 8.7686 8.7729 k = 0.2083 0.1829 0.7579 ( 4278 PWs) bands (ev): -10.7771 -10.7481 -10.0469 -10.0115 -9.9819 -9.7980 -9.3499 -9.2253 -9.1308 -9.1219 -9.0134 -8.9946 -8.0089 -8.0052 -7.5702 -7.5688 -7.3903 -7.3635 -3.1988 -3.1870 -1.6556 -1.6532 -0.3765 -0.3705 -0.3447 -0.3404 1.5448 1.5611 2.0665 2.1003 2.2132 2.2722 2.6903 2.7217 3.2800 3.2895 3.9268 3.9564 3.9790 3.9844 4.1703 4.1828 7.3955 7.4044 7.6364 7.6563 8.3925 8.4031 8.7605 8.7652 k = 0.2222 0.1951 0.7579 ( 4282 PWs) bands (ev): -10.7773 -10.7478 -10.0470 -10.0086 -9.9861 -9.7961 -9.3514 -9.2242 -9.1310 -9.1221 -9.0134 -8.9942 -8.0086 -8.0048 -7.5706 -7.5692 -7.3907 -7.3635 -3.1980 -3.1859 -1.6496 -1.6471 -0.3903 -0.3849 -0.3490 -0.3437 1.5639 1.5819 2.0578 2.0936 2.2222 2.2846 2.6803 2.7147 3.2830 3.2923 3.9249 3.9564 3.9992 4.0022 4.1409 4.1550 7.4076 7.4168 7.6353 7.6556 8.3880 8.3988 8.7544 8.7594 k = 0.2361 0.2073 0.7579 ( 4286 PWs) bands (ev): -10.7775 -10.7476 -10.0470 -10.0061 -9.9893 -9.7950 -9.3523 -9.2235 -9.1311 -9.1222 -9.0135 -8.9940 -8.0085 -8.0047 -7.5709 -7.5694 -7.3910 -7.3634 -3.1975 -3.1853 -1.6459 -1.6434 -0.3988 -0.3937 -0.3514 -0.3458 1.5758 1.5950 2.0521 2.0893 2.2279 2.2924 2.6739 2.7104 3.2849 3.2940 3.9236 3.9559 4.0174 4.0181 4.1171 4.1335 7.4150 7.4244 7.6346 7.6551 8.3852 8.3962 8.7507 8.7558 k = 0.2500 0.2195 0.7579 ( 4284 PWs) bands (ev): -10.7775 -10.7476 -10.0470 -10.0051 -9.9905 -9.7946 -9.3527 -9.2233 -9.1312 -9.1222 -9.0135 -8.9939 -8.0084 -8.0046 -7.5710 -7.5695 -7.3911 -7.3634 -3.1973 -3.1850 -1.6446 -1.6421 -0.4017 -0.3966 -0.3523 -0.3465 1.5799 1.5994 2.0501 2.0878 2.2298 2.2951 2.6717 2.7089 3.2855 3.2946 3.9232 3.9557 4.0250 4.0259 4.1068 4.1247 7.4176 7.4270 7.6343 7.6550 8.3842 8.3953 8.7494 8.7546 Writing output data file InPS4.save init_run : 3.91s CPU 12.08s WALL ( 1 calls) electrons : 631.56s CPU 639.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.24s CPU 1.49s WALL ( 1 calls) Called by electrons: c_bands : 631.46s CPU 638.90s WALL ( 1 calls) v_of_rho : 0.10s CPU 1.01s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.08s CPU 0.60s WALL ( 1 calls) newd : 0.58s CPU 0.69s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.27s WALL ( 293 calls) cegterg : 594.83s CPU 599.42s WALL ( 667 calls) Called by sum_band: Called by *egterg: h_psi : 279.27s CPU 287.10s WALL ( 11796 calls) s_psi : 41.74s CPU 42.15s WALL ( 11796 calls) g_psi : 0.55s CPU 0.61s WALL ( 10836 calls) cdiaghg : 198.72s CPU 196.91s WALL ( 11129 calls) cegterg:over : 50.89s CPU 48.15s WALL ( 10836 calls) cegterg:upda : 8.83s CPU 11.93s WALL ( 10836 calls) cegterg:last : 8.00s CPU 8.82s WALL ( 1839 calls) Called by h_psi: h_psi:vloc : 203.02s CPU 209.36s WALL ( 11796 calls) h_psi:vnl : 76.06s CPU 77.14s WALL ( 11796 calls) add_vuspsi : 28.52s CPU 32.24s WALL ( 11796 calls) General routines calbec : 47.50s CPU 44.83s WALL ( 11796 calls) fft : 0.74s CPU 1.35s WALL ( 19 calls) ffts : 0.00s CPU 0.09s WALL ( 4 calls) fftw : 193.39s CPU 197.98s WALL ( 1074124 calls) interpolate : 0.01s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 1.18s WALL ( 586 calls) Parallel routines fft_scatter : 136.86s CPU 137.99s WALL ( 1074147 calls) PWSCF : 11m23.75s CPU 12m27.78s WALL This run was terminated on: 19: 7:35 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=