Program PWSCF v.5.1.1 starts on 8Jun2016 at 7:57:53 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: ./AlAgSe2.save/ 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 48 48 13 1110 1110 167 Max 49 49 14 1113 1113 171 Sum 2345 2345 665 53351 53351 8131 bravais-lattice index = 14 lattice parameter (alat) = 12.9039 a.u. unit-cell volume = 1286.7209 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.903881 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.619604 celldm(5)= -0.619604 celldm(6)= 0.239207 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.239207 0.970969 0.000000 ) a(3) = ( -0.619604 -0.485484 0.616763 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.246359 0.810684 ) b(2) = ( 0.000000 1.029899 0.810684 ) b(3) = ( 0.000000 0.000000 1.621369 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Se 6.00 78.96000 Se( 1.00) Al 3.00 26.98150 Al( 1.00) Ag 11.00 107.86820 Ag( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.1196036 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4854843 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3083814 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 268 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0000000 0.0000000 0.0213338), wk = 0.0037313 k( 3) = ( 0.0000000 0.0000000 0.0426676), wk = 0.0037313 k( 4) = ( 0.0000000 0.0000000 0.0640014), wk = 0.0037313 k( 5) = ( 0.0000000 0.0000000 0.0853352), wk = 0.0037313 k( 6) = ( 0.0000000 0.0000000 0.1066690), wk = 0.0037313 k( 7) = ( 0.0000000 0.0000000 0.1280028), wk = 0.0037313 k( 8) = ( 0.0000000 0.0000000 0.1493366), wk = 0.0037313 k( 9) = ( 0.0000000 0.0000000 0.1706704), wk = 0.0037313 k( 10) = ( 0.0000000 0.0000000 0.1920042), wk = 0.0037313 k( 11) = ( 0.0000000 0.0000000 0.2133380), wk = 0.0037313 k( 12) = ( 0.0000000 0.0000000 0.2346718), wk = 0.0037313 k( 13) = ( 0.0000000 0.0000000 0.2560056), wk = 0.0037313 k( 14) = ( 0.0000000 0.0000000 0.2773394), wk = 0.0037313 k( 15) = ( 0.0000000 0.0000000 0.2986732), wk = 0.0037313 k( 16) = ( 0.0000000 0.0000000 0.3200070), wk = 0.0037313 k( 17) = ( 0.0000000 0.0000000 0.3413408), wk = 0.0037313 k( 18) = ( 0.0000000 0.0000000 0.3626746), wk = 0.0037313 k( 19) = ( 0.0000000 0.0000000 0.3840084), wk = 0.0037313 k( 20) = ( 0.0000000 0.0000000 0.4053422), wk = 0.0037313 k( 21) = ( 0.0000000 0.0000000 0.4266760), wk = 0.0037313 k( 22) = ( 0.0000000 0.0000000 0.4480098), wk = 0.0037313 k( 23) = ( 0.0000000 0.0000000 0.4693436), wk = 0.0037313 k( 24) = ( 0.0000000 0.0000000 0.4906774), wk = 0.0037313 k( 25) = ( 0.0000000 0.0000000 0.5120112), wk = 0.0037313 k( 26) = ( 0.0000000 0.0000000 0.5333450), wk = 0.0037313 k( 27) = ( 0.0000000 0.0000000 0.5546788), wk = 0.0037313 k( 28) = ( 0.0000000 0.0000000 0.5760126), wk = 0.0037313 k( 29) = ( 0.0000000 0.0000000 0.5973464), wk = 0.0037313 k( 30) = ( 0.0000000 0.0000000 0.6186802), wk = 0.0037313 k( 31) = ( 0.0000000 0.0000000 0.6400140), wk = 0.0037313 k( 32) = ( 0.0000000 0.0000000 0.6613478), wk = 0.0037313 k( 33) = ( 0.0000000 0.0000000 0.6826816), wk = 0.0037313 k( 34) = ( 0.0000000 0.0000000 0.7040154), wk = 0.0037313 k( 35) = ( 0.0000000 0.0000000 0.7253492), wk = 0.0037313 k( 36) = ( 0.0000000 0.0000000 0.7466830), wk = 0.0037313 k( 37) = ( 0.0000000 0.0000000 0.7680168), wk = 0.0037313 k( 38) = ( 0.0000000 0.0000000 0.7893506), wk = 0.0037313 k( 39) = ( 0.0000000 0.0000000 0.8106844), wk = 0.0037313 k( 40) = ( 0.0000000 0.0000000 0.8106844), wk = 0.0037313 k( 41) = ( -0.0127903 0.0163237 0.8106844), wk = 0.0037313 k( 42) = ( -0.0255806 0.0326475 0.8106844), wk = 0.0037313 k( 43) = ( -0.0383709 0.0489713 0.8106844), wk = 0.0037313 k( 44) = ( -0.0511613 0.0652950 0.8106844), wk = 0.0037313 k( 45) = ( -0.0639516 0.0816188 0.8106844), wk = 0.0037313 k( 46) = ( -0.0767419 0.0979425 0.8106844), wk = 0.0037313 k( 47) = ( -0.0895322 0.1142663 0.8106844), wk = 0.0037313 k( 48) = ( -0.1023225 0.1305900 0.8106844), wk = 0.0037313 k( 49) = ( -0.1151128 0.1469138 0.8106844), wk = 0.0037313 k( 50) = ( -0.1279031 0.1632375 0.8106844), wk = 0.0037313 k( 51) = ( -0.1406934 0.1795613 0.8106844), wk = 0.0037313 k( 52) = ( -0.1534838 0.1958850 0.8106844), wk = 0.0037313 k( 53) = ( -0.1534838 0.1958850 0.8106844), wk = 0.0037313 k( 54) = ( -0.1626026 0.2075230 0.7958994), wk = 0.0037313 k( 55) = ( -0.1717215 0.2191610 0.7811144), wk = 0.0037313 k( 56) = ( -0.1808403 0.2307991 0.7663294), wk = 0.0037313 k( 57) = ( -0.1899592 0.2424371 0.7515443), wk = 0.0037313 k( 58) = ( -0.1990780 0.2540751 0.7367593), wk = 0.0037313 k( 59) = ( -0.2081969 0.2657131 0.7219743), wk = 0.0037313 k( 60) = ( -0.2173157 0.2773511 0.7071893), wk = 0.0037313 k( 61) = ( -0.2264346 0.2889891 0.6924043), wk = 0.0037313 k( 62) = ( -0.2355534 0.3006271 0.6776193), wk = 0.0037313 k( 63) = ( -0.2446723 0.3122651 0.6628342), wk = 0.0037313 k( 64) = ( -0.2537911 0.3239031 0.6480492), wk = 0.0037313 k( 65) = ( -0.2629100 0.3355412 0.6332642), wk = 0.0037313 k( 66) = ( -0.2720288 0.3471792 0.6184792), wk = 0.0037313 k( 67) = ( -0.2811476 0.3588172 0.6036942), wk = 0.0037313 k( 68) = ( -0.2902665 0.3704552 0.5889092), wk = 0.0037313 k( 69) = ( -0.2993853 0.3820932 0.5741241), wk = 0.0037313 k( 70) = ( -0.3085042 0.3937312 0.5593391), wk = 0.0037313 k( 71) = ( -0.3176230 0.4053692 0.5445541), wk = 0.0037313 k( 72) = ( -0.3267419 0.4170072 0.5297691), wk = 0.0037313 k( 73) = ( -0.3267419 0.4170072 0.5297691), wk = 0.0037313 k( 74) = ( -0.3174064 0.4050927 0.5146328), wk = 0.0037313 k( 75) = ( -0.3080709 0.3931782 0.4994966), wk = 0.0037313 k( 76) = ( -0.2987354 0.3812638 0.4843603), wk = 0.0037313 k( 77) = ( -0.2894000 0.3693493 0.4692240), wk = 0.0037313 k( 78) = ( -0.2800645 0.3574348 0.4540878), wk = 0.0037313 k( 79) = ( -0.2707290 0.3455203 0.4389515), wk = 0.0037313 k( 80) = ( -0.2613935 0.3336058 0.4238153), wk = 0.0037313 k( 81) = ( -0.2520580 0.3216913 0.4086790), wk = 0.0037313 k( 82) = ( -0.2427225 0.3097768 0.3935427), wk = 0.0037313 k( 83) = ( -0.2333871 0.2978623 0.3784065), wk = 0.0037313 k( 84) = ( -0.2240516 0.2859478 0.3632702), wk = 0.0037313 k( 85) = ( -0.2147161 0.2740333 0.3481340), wk = 0.0037313 k( 86) = ( -0.2053806 0.2621188 0.3329977), wk = 0.0037313 k( 87) = ( -0.1960451 0.2502043 0.3178615), wk = 0.0037313 k( 88) = ( -0.1867097 0.2382898 0.3027252), wk = 0.0037313 k( 89) = ( -0.1773742 0.2263754 0.2875889), wk = 0.0037313 k( 90) = ( -0.1680387 0.2144609 0.2724527), wk = 0.0037313 k( 91) = ( -0.1587032 0.2025464 0.2573164), wk = 0.0037313 k( 92) = ( -0.1493677 0.1906319 0.2421802), wk = 0.0037313 k( 93) = ( -0.1400322 0.1787174 0.2270439), wk = 0.0037313 k( 94) = ( -0.1306968 0.1668029 0.2119076), wk = 0.0037313 k( 95) = ( -0.1213613 0.1548884 0.1967714), wk = 0.0037313 k( 96) = ( -0.1120258 0.1429739 0.1816351), wk = 0.0037313 k( 97) = ( -0.1026903 0.1310594 0.1664989), wk = 0.0037313 k( 98) = ( -0.0933548 0.1191449 0.1513626), wk = 0.0037313 k( 99) = ( -0.0840193 0.1072304 0.1362263), wk = 0.0037313 k( 100) = ( -0.0746839 0.0953159 0.1210901), wk = 0.0037313 k( 101) = ( -0.0653484 0.0834015 0.1059538), wk = 0.0037313 k( 102) = ( -0.0560129 0.0714869 0.0908176), wk = 0.0037313 k( 103) = ( -0.0466774 0.0595725 0.0756813), wk = 0.0037313 k( 104) = ( -0.0373419 0.0476580 0.0605450), wk = 0.0037313 k( 105) = ( -0.0280064 0.0357435 0.0454088), wk = 0.0037313 k( 106) = ( -0.0186710 0.0238290 0.0302725), wk = 0.0037313 k( 107) = ( -0.0093355 0.0119145 0.0151363), wk = 0.0037313 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 110) = ( 0.0166667 0.0130590 0.0000000), wk = 0.0037313 k( 111) = ( 0.0333333 0.0261180 0.0000000), wk = 0.0037313 k( 112) = ( 0.0500000 0.0391770 0.0000000), wk = 0.0037313 k( 113) = ( 0.0666667 0.0522360 0.0000000), wk = 0.0037313 k( 114) = ( 0.0833333 0.0652950 0.0000000), wk = 0.0037313 k( 115) = ( 0.1000000 0.0783540 0.0000000), wk = 0.0037313 k( 116) = ( 0.1166667 0.0914130 0.0000000), wk = 0.0037313 k( 117) = ( 0.1333333 0.1044720 0.0000000), wk = 0.0037313 k( 118) = ( 0.1500000 0.1175310 0.0000000), wk = 0.0037313 k( 119) = ( 0.1666667 0.1305900 0.0000000), wk = 0.0037313 k( 120) = ( 0.1833333 0.1436490 0.0000000), wk = 0.0037313 k( 121) = ( 0.2000000 0.1567080 0.0000000), wk = 0.0037313 k( 122) = ( 0.2166667 0.1697670 0.0000000), wk = 0.0037313 k( 123) = ( 0.2333333 0.1828260 0.0000000), wk = 0.0037313 k( 124) = ( 0.2500000 0.1958850 0.0000000), wk = 0.0037313 k( 125) = ( 0.2666667 0.2089440 0.0000000), wk = 0.0037313 k( 126) = ( 0.2833333 0.2220030 0.0000000), wk = 0.0037313 k( 127) = ( 0.3000000 0.2350620 0.0000000), wk = 0.0037313 k( 128) = ( 0.3166667 0.2481210 0.0000000), wk = 0.0037313 k( 129) = ( 0.3333333 0.2611800 0.0000000), wk = 0.0037313 k( 130) = ( 0.3500000 0.2742390 0.0000000), wk = 0.0037313 k( 131) = ( 0.3666667 0.2872980 0.0000000), wk = 0.0037313 k( 132) = ( 0.3833333 0.3003570 0.0000000), wk = 0.0037313 k( 133) = ( 0.4000000 0.3134160 0.0000000), wk = 0.0037313 k( 134) = ( 0.4166667 0.3264750 0.0000000), wk = 0.0037313 k( 135) = ( 0.4333333 0.3395340 0.0000000), wk = 0.0037313 k( 136) = ( 0.4500000 0.3525930 0.0000000), wk = 0.0037313 k( 137) = ( 0.4666667 0.3656520 0.0000000), wk = 0.0037313 k( 138) = ( 0.4833333 0.3787110 0.0000000), wk = 0.0037313 k( 139) = ( 0.5000000 0.3917700 0.0000000), wk = 0.0037313 k( 140) = ( 0.5000000 0.3917700 0.0000000), wk = 0.0037313 k( 141) = ( 0.4908811 0.4034081 0.0147850), wk = 0.0037313 k( 142) = ( 0.4817623 0.4150461 0.0295700), wk = 0.0037313 k( 143) = ( 0.4726435 0.4266841 0.0443550), wk = 0.0037313 k( 144) = ( 0.4635246 0.4383221 0.0591401), wk = 0.0037313 k( 145) = ( 0.4544058 0.4499601 0.0739251), wk = 0.0037313 k( 146) = ( 0.4452869 0.4615981 0.0887101), wk = 0.0037313 k( 147) = ( 0.4361681 0.4732361 0.1034951), wk = 0.0037313 k( 148) = ( 0.4270492 0.4848741 0.1182801), wk = 0.0037313 k( 149) = ( 0.4179304 0.4965121 0.1330651), wk = 0.0037313 k( 150) = ( 0.4088115 0.5081502 0.1478502), wk = 0.0037313 k( 151) = ( 0.3996927 0.5197882 0.1626352), wk = 0.0037313 k( 152) = ( 0.3905738 0.5314262 0.1774202), wk = 0.0037313 k( 153) = ( 0.3814550 0.5430642 0.1922052), wk = 0.0037313 k( 154) = ( 0.3723361 0.5547022 0.2069902), wk = 0.0037313 k( 155) = ( 0.3632173 0.5663402 0.2217752), wk = 0.0037313 k( 156) = ( 0.3540984 0.5779782 0.2365603), wk = 0.0037313 k( 157) = ( 0.3449796 0.5896162 0.2513453), wk = 0.0037313 k( 158) = ( 0.3358607 0.6012542 0.2661303), wk = 0.0037313 k( 159) = ( 0.3267419 0.6128923 0.2809153), wk = 0.0037313 k( 160) = ( 0.3267419 0.6128923 0.2809153), wk = 0.0037313 k( 161) = ( 0.3075218 0.6071309 0.2882345), wk = 0.0037313 k( 162) = ( 0.2883017 0.6013696 0.2955538), wk = 0.0037313 k( 163) = ( 0.2690816 0.5956083 0.3028730), wk = 0.0037313 k( 164) = ( 0.2498614 0.5898470 0.3101922), wk = 0.0037313 k( 165) = ( 0.2306413 0.5840856 0.3175114), wk = 0.0037313 k( 166) = ( 0.2114212 0.5783243 0.3248307), wk = 0.0037313 k( 167) = ( 0.1922011 0.5725630 0.3321499), wk = 0.0037313 k( 168) = ( 0.1729810 0.5668017 0.3394691), wk = 0.0037313 k( 169) = ( 0.1537609 0.5610403 0.3467884), wk = 0.0037313 k( 170) = ( 0.1345408 0.5552790 0.3541076), wk = 0.0037313 k( 171) = ( 0.1153207 0.5495177 0.3614268), wk = 0.0037313 k( 172) = ( 0.0961006 0.5437564 0.3687461), wk = 0.0037313 k( 173) = ( 0.0768804 0.5379950 0.3760653), wk = 0.0037313 k( 174) = ( 0.0576603 0.5322337 0.3833845), wk = 0.0037313 k( 175) = ( 0.0384402 0.5264724 0.3907037), wk = 0.0037313 k( 176) = ( 0.0192201 0.5207111 0.3980230), wk = 0.0037313 k( 177) = ( 0.0000000 0.5149497 0.4053422), wk = 0.0037313 k( 178) = ( 0.0000000 0.5149497 0.4053422), wk = 0.0037313 k( 179) = ( 0.0092593 0.5031325 0.4203549), wk = 0.0037313 k( 180) = ( 0.0185185 0.4913153 0.4353675), wk = 0.0037313 k( 181) = ( 0.0277778 0.4794981 0.4503802), wk = 0.0037313 k( 182) = ( 0.0370370 0.4676809 0.4653929), wk = 0.0037313 k( 183) = ( 0.0462963 0.4558637 0.4804056), wk = 0.0037313 k( 184) = ( 0.0555556 0.4440465 0.4954182), wk = 0.0037313 k( 185) = ( 0.0648148 0.4322293 0.5104309), wk = 0.0037313 k( 186) = ( 0.0740741 0.4204121 0.5254436), wk = 0.0037313 k( 187) = ( 0.0833333 0.4085948 0.5404563), wk = 0.0037313 k( 188) = ( 0.0925926 0.3967776 0.5554689), wk = 0.0037313 k( 189) = ( 0.1018518 0.3849604 0.5704816), wk = 0.0037313 k( 190) = ( 0.1111111 0.3731432 0.5854943), wk = 0.0037313 k( 191) = ( 0.1203704 0.3613260 0.6005070), wk = 0.0037313 k( 192) = ( 0.1296296 0.3495088 0.6155196), wk = 0.0037313 k( 193) = ( 0.1388889 0.3376916 0.6305323), wk = 0.0037313 k( 194) = ( 0.1481482 0.3258744 0.6455450), wk = 0.0037313 k( 195) = ( 0.1574074 0.3140571 0.6605577), wk = 0.0037313 k( 196) = ( 0.1666667 0.3022399 0.6755703), wk = 0.0037313 k( 197) = ( 0.1759259 0.2904227 0.6905830), wk = 0.0037313 k( 198) = ( 0.1851852 0.2786055 0.7055957), wk = 0.0037313 k( 199) = ( 0.1944444 0.2667883 0.7206083), wk = 0.0037313 k( 200) = ( 0.2037037 0.2549711 0.7356210), wk = 0.0037313 k( 201) = ( 0.2129630 0.2431539 0.7506337), wk = 0.0037313 k( 202) = ( 0.2222222 0.2313367 0.7656464), wk = 0.0037313 k( 203) = ( 0.2314815 0.2195194 0.7806590), wk = 0.0037313 k( 204) = ( 0.2407407 0.2077022 0.7956717), wk = 0.0037313 k( 205) = ( 0.2500000 0.1958850 0.8106844), wk = 0.0037313 k( 206) = ( 0.2500000 0.1958850 0.8106844), wk = 0.0037313 k( 207) = ( 0.2631579 0.2061948 0.7975868), wk = 0.0037313 k( 208) = ( 0.2763158 0.2165045 0.7844892), wk = 0.0037313 k( 209) = ( 0.2894737 0.2268142 0.7713917), wk = 0.0037313 k( 210) = ( 0.3026316 0.2371240 0.7582941), wk = 0.0037313 k( 211) = ( 0.3157895 0.2474337 0.7451965), wk = 0.0037313 k( 212) = ( 0.3289474 0.2577435 0.7320990), wk = 0.0037313 k( 213) = ( 0.3421053 0.2680532 0.7190014), wk = 0.0037313 k( 214) = ( 0.3552632 0.2783629 0.7059039), wk = 0.0037313 k( 215) = ( 0.3684211 0.2886727 0.6928063), wk = 0.0037313 k( 216) = ( 0.3815789 0.2989824 0.6797087), wk = 0.0037313 k( 217) = ( 0.3947368 0.3092921 0.6666111), wk = 0.0037313 k( 218) = ( 0.4078947 0.3196019 0.6535136), wk = 0.0037313 k( 219) = ( 0.4210526 0.3299116 0.6404160), wk = 0.0037313 k( 220) = ( 0.4342105 0.3402214 0.6273184), wk = 0.0037313 k( 221) = ( 0.4473684 0.3505311 0.6142209), wk = 0.0037313 k( 222) = ( 0.4605263 0.3608408 0.6011233), wk = 0.0037313 k( 223) = ( 0.4736842 0.3711506 0.5880257), wk = 0.0037313 k( 224) = ( 0.4868421 0.3814603 0.5749282), wk = 0.0037313 k( 225) = ( 0.5000000 0.3917700 0.5618306), wk = 0.0037313 k( 226) = ( 0.5000000 0.3917700 0.5618306), wk = 0.0037313 k( 227) = ( 0.5000000 0.3917700 0.5402217), wk = 0.0037313 k( 228) = ( 0.5000000 0.3917700 0.5186129), wk = 0.0037313 k( 229) = ( 0.5000000 0.3917700 0.4970040), wk = 0.0037313 k( 230) = ( 0.5000000 0.3917700 0.4753951), wk = 0.0037313 k( 231) = ( 0.5000000 0.3917700 0.4537862), wk = 0.0037313 k( 232) = ( 0.5000000 0.3917700 0.4321774), wk = 0.0037313 k( 233) = ( 0.5000000 0.3917700 0.4105685), wk = 0.0037313 k( 234) = ( 0.5000000 0.3917700 0.3889596), wk = 0.0037313 k( 235) = ( 0.5000000 0.3917700 0.3673508), wk = 0.0037313 k( 236) = ( 0.5000000 0.3917700 0.3457419), wk = 0.0037313 k( 237) = ( 0.5000000 0.3917700 0.3241330), wk = 0.0037313 k( 238) = ( 0.5000000 0.3917700 0.3025242), wk = 0.0037313 k( 239) = ( 0.5000000 0.3917700 0.2809153), wk = 0.0037313 k( 240) = ( 0.5000000 0.3917700 0.2593064), wk = 0.0037313 k( 241) = ( 0.5000000 0.3917700 0.2376976), wk = 0.0037313 k( 242) = ( 0.5000000 0.3917700 0.2160887), wk = 0.0037313 k( 243) = ( 0.5000000 0.3917700 0.1944798), wk = 0.0037313 k( 244) = ( 0.5000000 0.3917700 0.1728710), wk = 0.0037313 k( 245) = ( 0.5000000 0.3917700 0.1512621), wk = 0.0037313 k( 246) = ( 0.5000000 0.3917700 0.1296532), wk = 0.0037313 k( 247) = ( 0.5000000 0.3917700 0.1080444), wk = 0.0037313 k( 248) = ( 0.5000000 0.3917700 0.0864355), wk = 0.0037313 k( 249) = ( 0.5000000 0.3917700 0.0648266), wk = 0.0037313 k( 250) = ( 0.5000000 0.3917700 0.0432177), wk = 0.0037313 k( 251) = ( 0.5000000 0.3917700 0.0216089), wk = 0.0037313 k( 252) = ( 0.5000000 0.3917700 0.0000000), wk = 0.0037313 k( 253) = ( 0.0000000 0.0000000 0.8106844), wk = 0.0037313 k( 254) = ( 0.0166667 0.0130590 0.8106844), wk = 0.0037313 k( 255) = ( 0.0333333 0.0261180 0.8106844), wk = 0.0037313 k( 256) = ( 0.0500000 0.0391770 0.8106844), wk = 0.0037313 k( 257) = ( 0.0666667 0.0522360 0.8106844), wk = 0.0037313 k( 258) = ( 0.0833333 0.0652950 0.8106844), wk = 0.0037313 k( 259) = ( 0.1000000 0.0783540 0.8106844), wk = 0.0037313 k( 260) = ( 0.1166667 0.0914130 0.8106844), wk = 0.0037313 k( 261) = ( 0.1333333 0.1044720 0.8106844), wk = 0.0037313 k( 262) = ( 0.1500000 0.1175310 0.8106844), wk = 0.0037313 k( 263) = ( 0.1666667 0.1305900 0.8106844), wk = 0.0037313 k( 264) = ( 0.1833333 0.1436490 0.8106844), wk = 0.0037313 k( 265) = ( 0.2000000 0.1567080 0.8106844), wk = 0.0037313 k( 266) = ( 0.2166667 0.1697670 0.8106844), wk = 0.0037313 k( 267) = ( 0.2333333 0.1828260 0.8106844), wk = 0.0037313 k( 268) = ( 0.2500000 0.1958850 0.8106844), wk = 0.0037313 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0037313 k( 3) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0037313 k( 4) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0037313 k( 5) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0037313 k( 6) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0037313 k( 7) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0037313 k( 8) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0037313 k( 9) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0037313 k( 10) = ( 0.0000000 0.0000000 0.1184211), wk = 0.0037313 k( 11) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0037313 k( 12) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0037313 k( 13) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0037313 k( 14) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0037313 k( 15) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0037313 k( 16) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0037313 k( 17) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0037313 k( 18) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0037313 k( 19) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0037313 k( 20) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037313 k( 21) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0037313 k( 22) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0037313 k( 23) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0037313 k( 24) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0037313 k( 25) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0037313 k( 26) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0037313 k( 27) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0037313 k( 28) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0037313 k( 29) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0037313 k( 30) = ( 0.0000000 0.0000000 0.3815790), wk = 0.0037313 k( 31) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0037313 k( 32) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0037313 k( 33) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0037313 k( 34) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0037313 k( 35) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0037313 k( 36) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0037313 k( 37) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0037313 k( 38) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0037313 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 41) = ( -0.0127903 0.0127903 0.5000000), wk = 0.0037313 k( 42) = ( -0.0255806 0.0255806 0.5000000), wk = 0.0037313 k( 43) = ( -0.0383709 0.0383709 0.5000000), wk = 0.0037313 k( 44) = ( -0.0511613 0.0511613 0.5000000), wk = 0.0037313 k( 45) = ( -0.0639516 0.0639516 0.5000000), wk = 0.0037313 k( 46) = ( -0.0767419 0.0767419 0.5000000), wk = 0.0037313 k( 47) = ( -0.0895322 0.0895322 0.5000000), wk = 0.0037313 k( 48) = ( -0.1023225 0.1023225 0.5000000), wk = 0.0037313 k( 49) = ( -0.1151128 0.1151128 0.5000000), wk = 0.0037313 k( 50) = ( -0.1279031 0.1279031 0.5000000), wk = 0.0037313 k( 51) = ( -0.1406934 0.1406934 0.5000000), wk = 0.0037313 k( 52) = ( -0.1534838 0.1534838 0.5000000), wk = 0.0037313 k( 53) = ( -0.1534838 0.1534838 0.5000000), wk = 0.0037313 k( 54) = ( -0.1626026 0.1626026 0.4908811), wk = 0.0037313 k( 55) = ( -0.1717215 0.1717215 0.4817623), wk = 0.0037313 k( 56) = ( -0.1808403 0.1808403 0.4726435), wk = 0.0037313 k( 57) = ( -0.1899592 0.1899592 0.4635246), wk = 0.0037313 k( 58) = ( -0.1990780 0.1990780 0.4544058), wk = 0.0037313 k( 59) = ( -0.2081969 0.2081969 0.4452869), wk = 0.0037313 k( 60) = ( -0.2173157 0.2173157 0.4361681), wk = 0.0037313 k( 61) = ( -0.2264346 0.2264345 0.4270492), wk = 0.0037313 k( 62) = ( -0.2355534 0.2355534 0.4179304), wk = 0.0037313 k( 63) = ( -0.2446723 0.2446723 0.4088115), wk = 0.0037313 k( 64) = ( -0.2537911 0.2537911 0.3996927), wk = 0.0037313 k( 65) = ( -0.2629100 0.2629100 0.3905738), wk = 0.0037313 k( 66) = ( -0.2720288 0.2720288 0.3814550), wk = 0.0037313 k( 67) = ( -0.2811476 0.2811476 0.3723361), wk = 0.0037313 k( 68) = ( -0.2902665 0.2902665 0.3632173), wk = 0.0037313 k( 69) = ( -0.2993853 0.2993853 0.3540984), wk = 0.0037313 k( 70) = ( -0.3085042 0.3085042 0.3449796), wk = 0.0037313 k( 71) = ( -0.3176230 0.3176230 0.3358607), wk = 0.0037313 k( 72) = ( -0.3267419 0.3267419 0.3267419), wk = 0.0037313 k( 73) = ( -0.3267419 0.3267419 0.3267419), wk = 0.0037313 k( 74) = ( -0.3174064 0.3174064 0.3174064), wk = 0.0037313 k( 75) = ( -0.3080709 0.3080709 0.3080709), wk = 0.0037313 k( 76) = ( -0.2987354 0.2987354 0.2987354), wk = 0.0037313 k( 77) = ( -0.2894000 0.2894000 0.2894000), wk = 0.0037313 k( 78) = ( -0.2800645 0.2800645 0.2800645), wk = 0.0037313 k( 79) = ( -0.2707290 0.2707290 0.2707290), wk = 0.0037313 k( 80) = ( -0.2613935 0.2613935 0.2613935), wk = 0.0037313 k( 81) = ( -0.2520580 0.2520580 0.2520580), wk = 0.0037313 k( 82) = ( -0.2427225 0.2427225 0.2427225), wk = 0.0037313 k( 83) = ( -0.2333871 0.2333871 0.2333871), wk = 0.0037313 k( 84) = ( -0.2240516 0.2240516 0.2240516), wk = 0.0037313 k( 85) = ( -0.2147161 0.2147161 0.2147161), wk = 0.0037313 k( 86) = ( -0.2053806 0.2053806 0.2053806), wk = 0.0037313 k( 87) = ( -0.1960451 0.1960451 0.1960451), wk = 0.0037313 k( 88) = ( -0.1867097 0.1867097 0.1867096), wk = 0.0037313 k( 89) = ( -0.1773742 0.1773742 0.1773742), wk = 0.0037313 k( 90) = ( -0.1680387 0.1680387 0.1680387), wk = 0.0037313 k( 91) = ( -0.1587032 0.1587032 0.1587032), wk = 0.0037313 k( 92) = ( -0.1493677 0.1493677 0.1493677), wk = 0.0037313 k( 93) = ( -0.1400322 0.1400322 0.1400322), wk = 0.0037313 k( 94) = ( -0.1306968 0.1306967 0.1306968), wk = 0.0037313 k( 95) = ( -0.1213613 0.1213613 0.1213613), wk = 0.0037313 k( 96) = ( -0.1120258 0.1120258 0.1120258), wk = 0.0037313 k( 97) = ( -0.1026903 0.1026903 0.1026903), wk = 0.0037313 k( 98) = ( -0.0933548 0.0933548 0.0933548), wk = 0.0037313 k( 99) = ( -0.0840193 0.0840193 0.0840193), wk = 0.0037313 k( 100) = ( -0.0746839 0.0746839 0.0746839), wk = 0.0037313 k( 101) = ( -0.0653484 0.0653484 0.0653484), wk = 0.0037313 k( 102) = ( -0.0560129 0.0560129 0.0560129), wk = 0.0037313 k( 103) = ( -0.0466774 0.0466774 0.0466774), wk = 0.0037313 k( 104) = ( -0.0373419 0.0373419 0.0373419), wk = 0.0037313 k( 105) = ( -0.0280064 0.0280064 0.0280065), wk = 0.0037313 k( 106) = ( -0.0186710 0.0186710 0.0186710), wk = 0.0037313 k( 107) = ( -0.0093355 0.0093355 0.0093355), wk = 0.0037313 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 110) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0037313 k( 111) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0037313 k( 112) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0037313 k( 113) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0037313 k( 114) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0037313 k( 115) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0037313 k( 116) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0037313 k( 117) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0037313 k( 118) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0037313 k( 119) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0037313 k( 120) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0037313 k( 121) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0037313 k( 122) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0037313 k( 123) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0037313 k( 124) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0037313 k( 125) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0037313 k( 126) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0037313 k( 127) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0037313 k( 128) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0037313 k( 129) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0037313 k( 130) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0037313 k( 131) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0037313 k( 132) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0037313 k( 133) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0037313 k( 134) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0037313 k( 135) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0037313 k( 136) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0037313 k( 137) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0037313 k( 138) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0037313 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037313 k( 140) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037313 k( 141) = ( 0.4908811 0.5091189 -0.4908812), wk = 0.0037313 k( 142) = ( 0.4817623 0.5182377 -0.4817623), wk = 0.0037313 k( 143) = ( 0.4726435 0.5273565 -0.4726435), wk = 0.0037313 k( 144) = ( 0.4635246 0.5364754 -0.4635246), wk = 0.0037313 k( 145) = ( 0.4544058 0.5455942 -0.4544058), wk = 0.0037313 k( 146) = ( 0.4452869 0.5547131 -0.4452869), wk = 0.0037313 k( 147) = ( 0.4361681 0.5638319 -0.4361681), wk = 0.0037313 k( 148) = ( 0.4270492 0.5729508 -0.4270492), wk = 0.0037313 k( 149) = ( 0.4179304 0.5820696 -0.4179304), wk = 0.0037313 k( 150) = ( 0.4088115 0.5911885 -0.4088115), wk = 0.0037313 k( 151) = ( 0.3996927 0.6003073 -0.3996927), wk = 0.0037313 k( 152) = ( 0.3905738 0.6094262 -0.3905738), wk = 0.0037313 k( 153) = ( 0.3814550 0.6185450 -0.3814550), wk = 0.0037313 k( 154) = ( 0.3723361 0.6276639 -0.3723361), wk = 0.0037313 k( 155) = ( 0.3632173 0.6367827 -0.3632173), wk = 0.0037313 k( 156) = ( 0.3540984 0.6459016 -0.3540984), wk = 0.0037313 k( 157) = ( 0.3449796 0.6550204 -0.3449796), wk = 0.0037313 k( 158) = ( 0.3358607 0.6641393 -0.3358607), wk = 0.0037313 k( 159) = ( 0.3267419 0.6732581 -0.3267419), wk = 0.0037313 k( 160) = ( 0.3267419 0.6732581 -0.3267419), wk = 0.0037313 k( 161) = ( 0.3075218 0.6630665 -0.3075218), wk = 0.0037313 k( 162) = ( 0.2883017 0.6528748 -0.2883017), wk = 0.0037313 k( 163) = ( 0.2690816 0.6426831 -0.2690816), wk = 0.0037313 k( 164) = ( 0.2498614 0.6324915 -0.2498614), wk = 0.0037313 k( 165) = ( 0.2306413 0.6222999 -0.2306413), wk = 0.0037313 k( 166) = ( 0.2114212 0.6121082 -0.2114212), wk = 0.0037313 k( 167) = ( 0.1922011 0.6019165 -0.1922011), wk = 0.0037313 k( 168) = ( 0.1729810 0.5917249 -0.1729810), wk = 0.0037313 k( 169) = ( 0.1537609 0.5815332 -0.1537609), wk = 0.0037313 k( 170) = ( 0.1345408 0.5713416 -0.1345408), wk = 0.0037313 k( 171) = ( 0.1153207 0.5611499 -0.1153207), wk = 0.0037313 k( 172) = ( 0.0961006 0.5509583 -0.0961005), wk = 0.0037313 k( 173) = ( 0.0768804 0.5407666 -0.0768804), wk = 0.0037313 k( 174) = ( 0.0576603 0.5305750 -0.0576603), wk = 0.0037313 k( 175) = ( 0.0384402 0.5203833 -0.0384402), wk = 0.0037313 k( 176) = ( 0.0192201 0.5101916 -0.0192201), wk = 0.0037313 k( 177) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037313 k( 178) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037313 k( 179) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0037313 k( 180) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0037313 k( 181) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0037313 k( 182) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0037313 k( 183) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0037313 k( 184) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0037313 k( 185) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0037313 k( 186) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0037313 k( 187) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0037313 k( 188) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0037313 k( 189) = ( 0.1018518 0.3981481 0.1018518), wk = 0.0037313 k( 190) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0037313 k( 191) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0037313 k( 192) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0037313 k( 193) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0037313 k( 194) = ( 0.1481482 0.3518519 0.1481482), wk = 0.0037313 k( 195) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0037313 k( 196) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0037313 k( 197) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0037313 k( 198) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0037313 k( 199) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0037313 k( 200) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0037313 k( 201) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0037313 k( 202) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0037313 k( 203) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0037313 k( 204) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0037313 k( 205) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 k( 206) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 k( 207) = ( 0.2631579 0.2631579 0.2287640), wk = 0.0037313 k( 208) = ( 0.2763158 0.2763158 0.2075280), wk = 0.0037313 k( 209) = ( 0.2894737 0.2894737 0.1862920), wk = 0.0037313 k( 210) = ( 0.3026316 0.3026316 0.1650561), wk = 0.0037313 k( 211) = ( 0.3157895 0.3157895 0.1438201), wk = 0.0037313 k( 212) = ( 0.3289474 0.3289474 0.1225841), wk = 0.0037313 k( 213) = ( 0.3421053 0.3421053 0.1013481), wk = 0.0037313 k( 214) = ( 0.3552632 0.3552632 0.0801121), wk = 0.0037313 k( 215) = ( 0.3684211 0.3684210 0.0588761), wk = 0.0037313 k( 216) = ( 0.3815789 0.3815789 0.0376401), wk = 0.0037313 k( 217) = ( 0.3947368 0.3947368 0.0164041), wk = 0.0037313 k( 218) = ( 0.4078947 0.4078947 -0.0048319), wk = 0.0037313 k( 219) = ( 0.4210526 0.4210526 -0.0260678), wk = 0.0037313 k( 220) = ( 0.4342105 0.4342105 -0.0473038), wk = 0.0037313 k( 221) = ( 0.4473684 0.4473684 -0.0685398), wk = 0.0037313 k( 222) = ( 0.4605263 0.4605263 -0.0897758), wk = 0.0037313 k( 223) = ( 0.4736842 0.4736842 -0.1110118), wk = 0.0037313 k( 224) = ( 0.4868421 0.4868421 -0.1322478), wk = 0.0037313 k( 225) = ( 0.5000000 0.5000000 -0.1534838), wk = 0.0037313 k( 226) = ( 0.5000000 0.5000000 -0.1534838), wk = 0.0037313 k( 227) = ( 0.5000000 0.5000000 -0.1668113), wk = 0.0037313 k( 228) = ( 0.5000000 0.5000000 -0.1801389), wk = 0.0037313 k( 229) = ( 0.5000000 0.5000000 -0.1934664), wk = 0.0037313 k( 230) = ( 0.5000000 0.5000000 -0.2067940), wk = 0.0037313 k( 231) = ( 0.5000000 0.5000000 -0.2201215), wk = 0.0037313 k( 232) = ( 0.5000000 0.5000000 -0.2334491), wk = 0.0037313 k( 233) = ( 0.5000000 0.5000000 -0.2467766), wk = 0.0037313 k( 234) = ( 0.5000000 0.5000000 -0.2601042), wk = 0.0037313 k( 235) = ( 0.5000000 0.5000000 -0.2734317), wk = 0.0037313 k( 236) = ( 0.5000000 0.5000000 -0.2867592), wk = 0.0037313 k( 237) = ( 0.5000000 0.5000000 -0.3000868), wk = 0.0037313 k( 238) = ( 0.5000000 0.5000000 -0.3134143), wk = 0.0037313 k( 239) = ( 0.5000000 0.5000000 -0.3267419), wk = 0.0037313 k( 240) = ( 0.5000000 0.5000000 -0.3400694), wk = 0.0037313 k( 241) = ( 0.5000000 0.5000000 -0.3533970), wk = 0.0037313 k( 242) = ( 0.5000000 0.5000000 -0.3667245), wk = 0.0037313 k( 243) = ( 0.5000000 0.5000000 -0.3800521), wk = 0.0037313 k( 244) = ( 0.5000000 0.5000000 -0.3933796), wk = 0.0037313 k( 245) = ( 0.5000000 0.5000000 -0.4067072), wk = 0.0037313 k( 246) = ( 0.5000000 0.5000000 -0.4200347), wk = 0.0037313 k( 247) = ( 0.5000000 0.5000000 -0.4333623), wk = 0.0037313 k( 248) = ( 0.5000000 0.5000000 -0.4466898), wk = 0.0037313 k( 249) = ( 0.5000000 0.5000000 -0.4600174), wk = 0.0037313 k( 250) = ( 0.5000000 0.5000000 -0.4733449), wk = 0.0037313 k( 251) = ( 0.5000000 0.5000000 -0.4866725), wk = 0.0037313 k( 252) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0037313 k( 253) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 254) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0037313 k( 255) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0037313 k( 256) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0037313 k( 257) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0037313 k( 258) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0037313 k( 259) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0037313 k( 260) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0037313 k( 261) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0037313 k( 262) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0037313 k( 263) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0037313 k( 264) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0037313 k( 265) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0037313 k( 266) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0037313 k( 267) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0037313 k( 268) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0037313 Dense grid: 53351 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 290, 62) NL pseudopotentials 0.36 Mb ( 145, 164) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1113) G-vector shells 0.00 Mb ( 526) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.10 Mb ( 290, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.31 Mb ( 164, 2, 62) The potential is recalculated from file : ./AlAgSe2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.7 secs Computing kpt #: 2 total cpu time spent up to now is 50.6 secs Computing kpt #: 3 total cpu time spent up to now is 54.1 secs Computing kpt #: 4 total cpu time spent up to now is 58.0 secs Computing kpt #: 5 total cpu time spent up to now is 61.9 secs Computing kpt #: 6 total cpu time spent up to now is 65.6 secs Computing kpt #: 7 total cpu time spent up to now is 69.3 secs Computing kpt #: 8 total cpu time spent up to now is 73.1 secs Computing kpt #: 9 total cpu time spent up to now is 77.4 secs Computing kpt #: 10 total cpu time spent up to now is 81.2 secs Computing kpt #: 11 total cpu time spent up to now is 85.2 secs Computing kpt #: 12 total cpu time spent up to now is 89.3 secs Computing kpt #: 13 total cpu time spent up to now is 93.3 secs Computing kpt #: 14 total cpu time spent up to now is 97.2 secs Computing kpt #: 15 total cpu time spent up to now is 101.3 secs Computing kpt #: 16 total cpu time spent up to now is 105.3 secs Computing kpt #: 17 total cpu time spent up to now is 109.1 secs Computing kpt #: 18 total cpu time spent up to now is 113.6 secs Computing kpt #: 19 total cpu time spent up to now is 120.7 secs Computing kpt #: 20 total cpu time spent up to now is 126.2 secs Computing kpt #: 21 total cpu time spent up to now is 131.4 secs Computing kpt #: 22 total cpu time spent up to now is 136.0 secs Computing kpt #: 23 total cpu time spent up to now is 140.3 secs Computing kpt #: 24 total cpu time spent up to now is 144.8 secs Computing kpt #: 25 total cpu time spent up to now is 149.1 secs Computing kpt #: 26 total cpu time spent up to now is 153.1 secs Computing kpt #: 27 total cpu time spent up to now is 157.4 secs Computing kpt #: 28 total cpu time spent up to now is 162.0 secs Computing kpt #: 29 total cpu time spent up to now is 166.0 secs Computing kpt #: 30 total cpu time spent up to now is 170.5 secs Computing kpt #: 31 total cpu time spent up to now is 174.2 secs Computing kpt #: 32 total cpu time spent up to now is 178.1 secs Computing kpt #: 33 total cpu time spent up to now is 182.1 secs Computing kpt #: 34 total cpu time spent up to now is 185.9 secs Computing kpt #: 35 total cpu time spent up to now is 189.9 secs Computing kpt #: 36 total cpu time spent up to now is 193.7 secs Computing kpt #: 37 total cpu time spent up to now is 198.3 secs Computing kpt #: 38 total cpu time spent up to now is 202.2 secs Computing kpt #: 39 total cpu time spent up to now is 206.1 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 213.1 secs Computing kpt #: 41 total cpu time spent up to now is 218.5 secs Computing kpt #: 42 total cpu time spent up to now is 222.4 secs Computing kpt #: 43 total cpu time spent up to now is 228.0 secs Computing kpt #: 44 total cpu time spent up to now is 232.7 secs Computing kpt #: 45 total cpu time spent up to now is 237.5 secs Computing kpt #: 46 total cpu time spent up to now is 242.2 secs Computing kpt #: 47 total cpu time spent up to now is 246.8 secs Computing kpt #: 48 total cpu time spent up to now is 251.5 secs Computing kpt #: 49 total cpu time spent up to now is 256.4 secs Computing kpt #: 50 total cpu time spent up to now is 261.4 secs Computing kpt #: 51 total cpu time spent up to now is 266.0 secs Computing kpt #: 52 total cpu time spent up to now is 271.2 secs Computing kpt #: 53 total cpu time spent up to now is 276.1 secs Computing kpt #: 54 total cpu time spent up to now is 280.9 secs Computing kpt #: 55 total cpu time spent up to now is 286.0 secs Computing kpt #: 56 total cpu time spent up to now is 290.9 secs Computing kpt #: 57 total cpu time spent up to now is 295.7 secs Computing kpt #: 58 total cpu time spent up to now is 300.7 secs Computing kpt #: 59 total cpu time spent up to now is 305.4 secs Computing kpt #: 60 total cpu time spent up to now is 309.9 secs Computing kpt #: 61 total cpu time spent up to now is 313.7 secs Computing kpt #: 62 total cpu time spent up to now is 317.3 secs Computing kpt #: 63 total cpu time spent up to now is 321.0 secs Computing kpt #: 64 total cpu time spent up to now is 324.9 secs Computing kpt #: 65 total cpu time spent up to now is 328.5 secs Computing kpt #: 66 total cpu time spent up to now is 332.3 secs Computing kpt #: 67 total cpu time spent up to now is 336.2 secs Computing kpt #: 68 total cpu time spent up to now is 340.3 secs Computing kpt #: 69 total cpu time spent up to now is 345.3 secs Computing kpt #: 70 total cpu time spent up to now is 349.6 secs Computing kpt #: 71 total cpu time spent up to now is 354.2 secs Computing kpt #: 72 total cpu time spent up to now is 358.6 secs Computing kpt #: 73 total cpu time spent up to now is 363.5 secs Computing kpt #: 74 total cpu time spent up to now is 368.3 secs Computing kpt #: 75 total cpu time spent up to now is 374.0 secs Computing kpt #: 76 total cpu time spent up to now is 379.1 secs Computing kpt #: 77 total cpu time spent up to now is 384.8 secs Computing kpt #: 78 total cpu time spent up to now is 392.2 secs Computing kpt #: 79 total cpu time spent up to now is 397.9 secs Computing kpt #: 80 total cpu time spent up to now is 402.7 secs Computing kpt #: 81 total cpu time spent up to now is 406.8 secs Computing kpt #: 82 total cpu time spent up to now is 410.8 secs Computing kpt #: 83 total cpu time spent up to now is 414.8 secs Computing kpt #: 84 total cpu time spent up to now is 418.7 secs Computing kpt #: 85 total cpu time spent up to now is 422.4 secs Computing kpt #: 86 total cpu time spent up to now is 426.6 secs Computing kpt #: 87 total cpu time spent up to now is 431.0 secs Computing kpt #: 88 total cpu time spent up to now is 435.3 secs Computing kpt #: 89 total cpu time spent up to now is 439.8 secs Computing kpt #: 90 total cpu time spent up to now is 444.5 secs Computing kpt #: 91 total cpu time spent up to now is 449.9 secs Computing kpt #: 92 total cpu time spent up to now is 456.9 secs Computing kpt #: 93 total cpu time spent up to now is 461.7 secs Computing kpt #: 94 total cpu time spent up to now is 466.3 secs Computing kpt #: 95 total cpu time spent up to now is 470.1 secs Computing kpt #: 96 total cpu time spent up to now is 473.8 secs Computing kpt #: 97 total cpu time spent up to now is 478.1 secs Computing kpt #: 98 total cpu time spent up to now is 482.0 secs Computing kpt #: 99 total cpu time spent up to now is 485.7 secs Computing kpt #: 100 total cpu time spent up to now is 489.9 secs Computing kpt #: 101 total cpu time spent up to now is 493.7 secs Computing kpt #: 102 total cpu time spent up to now is 497.7 secs Computing kpt #: 103 total cpu time spent up to now is 501.6 secs Computing kpt #: 104 total cpu time spent up to now is 506.1 secs Computing kpt #: 105 total cpu time spent up to now is 509.7 secs Computing kpt #: 106 total cpu time spent up to now is 513.4 secs Computing kpt #: 107 total cpu time spent up to now is 517.4 secs Computing kpt #: 108 total cpu time spent up to now is 520.9 secs Computing kpt #: 109 total cpu time spent up to now is 524.4 secs Computing kpt #: 110 total cpu time spent up to now is 528.0 secs Computing kpt #: 111 total cpu time spent up to now is 531.5 secs Computing kpt #: 112 total cpu time spent up to now is 535.0 secs Computing kpt #: 113 total cpu time spent up to now is 538.5 secs Computing kpt #: 114 total cpu time spent up to now is 542.2 secs Computing kpt #: 115 total cpu time spent up to now is 545.7 secs Computing kpt #: 116 total cpu time spent up to now is 549.5 secs Computing kpt #: 117 total cpu time spent up to now is 552.9 secs Computing kpt #: 118 total cpu time spent up to now is 556.9 secs Computing kpt #: 119 total cpu time spent up to now is 560.5 secs Computing kpt #: 120 total cpu time spent up to now is 564.0 secs Computing kpt #: 121 total cpu time spent up to now is 567.5 secs Computing kpt #: 122 total cpu time spent up to now is 571.0 secs Computing kpt #: 123 total cpu time spent up to now is 574.5 secs Computing kpt #: 124 total cpu time spent up to now is 578.2 secs Computing kpt #: 125 total cpu time spent up to now is 581.7 secs Computing kpt #: 126 total cpu time spent up to now is 585.2 secs Computing kpt #: 127 total cpu time spent up to now is 588.7 secs Computing kpt #: 128 total cpu time spent up to now is 592.2 secs Computing kpt #: 129 total cpu time spent up to now is 597.5 secs Computing kpt #: 130 total cpu time spent up to now is 601.4 secs Computing kpt #: 131 total cpu time spent up to now is 605.4 secs Computing kpt #: 132 total cpu time spent up to now is 609.5 secs Computing kpt #: 133 total cpu time spent up to now is 613.9 secs Computing kpt #: 134 total cpu time spent up to now is 618.3 secs Computing kpt #: 135 total cpu time spent up to now is 622.8 secs Computing kpt #: 136 total cpu time spent up to now is 627.7 secs Computing kpt #: 137 total cpu time spent up to now is 631.6 secs Computing kpt #: 138 total cpu time spent up to now is 637.8 secs Computing kpt #: 139 total cpu time spent up to now is 641.4 secs Computing kpt #: 140 total cpu time spent up to now is 647.1 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 655.4 secs Computing kpt #: 142 total cpu time spent up to now is 662.8 secs Computing kpt #: 143 total cpu time spent up to now is 667.5 secs Computing kpt #: 144 total cpu time spent up to now is 673.1 secs Computing kpt #: 145 total cpu time spent up to now is 677.1 secs Computing kpt #: 146 total cpu time spent up to now is 681.7 secs Computing kpt #: 147 total cpu time spent up to now is 686.8 secs Computing kpt #: 148 total cpu time spent up to now is 691.5 secs Computing kpt #: 149 total cpu time spent up to now is 696.2 secs Computing kpt #: 150 total cpu time spent up to now is 701.7 secs Computing kpt #: 151 total cpu time spent up to now is 706.6 secs Computing kpt #: 152 total cpu time spent up to now is 711.4 secs Computing kpt #: 153 total cpu time spent up to now is 716.2 secs Computing kpt #: 154 total cpu time spent up to now is 720.8 secs Computing kpt #: 155 total cpu time spent up to now is 726.1 secs Computing kpt #: 156 total cpu time spent up to now is 731.1 secs Computing kpt #: 157 total cpu time spent up to now is 735.3 secs Computing kpt #: 158 total cpu time spent up to now is 740.0 secs Computing kpt #: 159 total cpu time spent up to now is 744.9 secs Computing kpt #: 160 total cpu time spent up to now is 749.4 secs Computing kpt #: 161 total cpu time spent up to now is 754.0 secs Computing kpt #: 162 total cpu time spent up to now is 758.7 secs Computing kpt #: 163 total cpu time spent up to now is 763.3 secs Computing kpt #: 164 total cpu time spent up to now is 767.9 secs Computing kpt #: 165 total cpu time spent up to now is 772.1 secs Computing kpt #: 166 total cpu time spent up to now is 776.8 secs Computing kpt #: 167 total cpu time spent up to now is 781.0 secs Computing kpt #: 168 total cpu time spent up to now is 785.5 secs Computing kpt #: 169 total cpu time spent up to now is 790.1 secs Computing kpt #: 170 total cpu time spent up to now is 794.3 secs Computing kpt #: 171 total cpu time spent up to now is 798.7 secs Computing kpt #: 172 total cpu time spent up to now is 803.4 secs Computing kpt #: 173 total cpu time spent up to now is 808.2 secs Computing kpt #: 174 total cpu time spent up to now is 813.8 secs Computing kpt #: 175 total cpu time spent up to now is 819.0 secs Computing kpt #: 176 total cpu time spent up to now is 824.1 secs Computing kpt #: 177 total cpu time spent up to now is 829.9 secs Computing kpt #: 178 total cpu time spent up to now is 835.6 secs Computing kpt #: 179 total cpu time spent up to now is 840.8 secs Computing kpt #: 180 total cpu time spent up to now is 845.6 secs Computing kpt #: 181 total cpu time spent up to now is 850.7 secs Computing kpt #: 182 total cpu time spent up to now is 855.2 secs Computing kpt #: 183 total cpu time spent up to now is 859.9 secs Computing kpt #: 184 total cpu time spent up to now is 864.2 secs Computing kpt #: 185 total cpu time spent up to now is 868.6 secs Computing kpt #: 186 total cpu time spent up to now is 872.7 secs Computing kpt #: 187 total cpu time spent up to now is 877.0 secs Computing kpt #: 188 total cpu time spent up to now is 881.5 secs Computing kpt #: 189 total cpu time spent up to now is 885.7 secs Computing kpt #: 190 total cpu time spent up to now is 890.4 secs Computing kpt #: 191 total cpu time spent up to now is 894.6 secs Computing kpt #: 192 total cpu time spent up to now is 899.0 secs Computing kpt #: 193 total cpu time spent up to now is 903.0 secs Computing kpt #: 194 total cpu time spent up to now is 907.5 secs Computing kpt #: 195 total cpu time spent up to now is 911.6 secs Computing kpt #: 196 total cpu time spent up to now is 915.4 secs Computing kpt #: 197 total cpu time spent up to now is 919.7 secs Computing kpt #: 198 total cpu time spent up to now is 923.7 secs Computing kpt #: 199 total cpu time spent up to now is 928.0 secs Computing kpt #: 200 total cpu time spent up to now is 931.9 secs Computing kpt #: 201 total cpu time spent up to now is 935.9 secs Computing kpt #: 202 total cpu time spent up to now is 939.6 secs Computing kpt #: 203 total cpu time spent up to now is 944.2 secs Computing kpt #: 204 total cpu time spent up to now is 951.0 secs Computing kpt #: 205 total cpu time spent up to now is 955.3 secs Computing kpt #: 206 total cpu time spent up to now is 961.2 secs Computing kpt #: 207 total cpu time spent up to now is 965.8 secs Computing kpt #: 208 total cpu time spent up to now is 969.7 secs Computing kpt #: 209 total cpu time spent up to now is 974.2 secs Computing kpt #: 210 total cpu time spent up to now is 977.9 secs Computing kpt #: 211 total cpu time spent up to now is 982.3 secs Computing kpt #: 212 total cpu time spent up to now is 986.0 secs Computing kpt #: 213 total cpu time spent up to now is 989.8 secs Computing kpt #: 214 total cpu time spent up to now is 994.1 secs Computing kpt #: 215 total cpu time spent up to now is 997.8 secs Computing kpt #: 216 total cpu time spent up to now is 1002.1 secs Computing kpt #: 217 total cpu time spent up to now is 1005.9 secs Computing kpt #: 218 total cpu time spent up to now is 1010.0 secs Computing kpt #: 219 total cpu time spent up to now is 1014.1 secs Computing kpt #: 220 total cpu time spent up to now is 1017.7 secs Computing kpt #: 221 total cpu time spent up to now is 1022.0 secs Computing kpt #: 222 total cpu time spent up to now is 1026.1 secs Computing kpt #: 223 total cpu time spent up to now is 1030.3 secs Computing kpt #: 224 total cpu time spent up to now is 1035.1 secs Computing kpt #: 225 total cpu time spent up to now is 1039.9 secs Computing kpt #: 226 total cpu time spent up to now is 1044.6 secs Computing kpt #: 227 total cpu time spent up to now is 1049.4 secs Computing kpt #: 228 total cpu time spent up to now is 1053.9 secs Computing kpt #: 229 total cpu time spent up to now is 1058.5 secs Computing kpt #: 230 total cpu time spent up to now is 1063.0 secs Computing kpt #: 231 total cpu time spent up to now is 1067.5 secs Computing kpt #: 232 total cpu time spent up to now is 1072.3 secs Computing kpt #: 233 total cpu time spent up to now is 1076.8 secs Computing kpt #: 234 total cpu time spent up to now is 1081.4 secs Computing kpt #: 235 total cpu time spent up to now is 1085.8 secs Computing kpt #: 236 total cpu time spent up to now is 1090.3 secs Computing kpt #: 237 total cpu time spent up to now is 1095.1 secs Computing kpt #: 238 total cpu time spent up to now is 1099.8 secs Computing kpt #: 239 total cpu time spent up to now is 1104.3 secs Computing kpt #: 240 total cpu time spent up to now is 1108.9 secs Computing kpt #: 241 total cpu time spent up to now is 1113.3 secs Computing kpt #: 242 total cpu time spent up to now is 1118.3 secs Computing kpt #: 243 total cpu time spent up to now is 1123.1 secs Computing kpt #: 244 total cpu time spent up to now is 1127.7 secs Computing kpt #: 245 total cpu time spent up to now is 1132.4 secs Computing kpt #: 246 total cpu time spent up to now is 1137.2 secs Computing kpt #: 247 total cpu time spent up to now is 1142.8 secs Computing kpt #: 248 total cpu time spent up to now is 1150.1 secs Computing kpt #: 249 total cpu time spent up to now is 1157.2 secs Computing kpt #: 250 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1164.5 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1171.9 secs Computing kpt #: 252 total cpu time spent up to now is 1175.5 secs Computing kpt #: 253 total cpu time spent up to now is 1179.5 secs Computing kpt #: 254 total cpu time spent up to now is 1184.1 secs Computing kpt #: 255 total cpu time spent up to now is 1188.7 secs Computing kpt #: 256 total cpu time spent up to now is 1193.1 secs Computing kpt #: 257 total cpu time spent up to now is 1197.4 secs Computing kpt #: 258 total cpu time spent up to now is 1203.0 secs Computing kpt #: 259 total cpu time spent up to now is 1207.1 secs Computing kpt #: 260 total cpu time spent up to now is 1212.6 secs Computing kpt #: 261 total cpu time spent up to now is 1219.3 secs Computing kpt #: 262 total cpu time spent up to now is 1224.9 secs Computing kpt #: 263 total cpu time spent up to now is 1231.0 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1238.4 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1248.3 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1256.1 secs Computing kpt #: 267 total cpu time spent up to now is 1260.5 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1267.8 secs ethr = 1.92E-11, avg # of iterations = 44.7 total cpu time spent up to now is 1268.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6685 PWs) bands (ev): -7.8849 -7.8849 -6.8728 -6.8728 -6.8662 -6.8662 -6.7662 -6.7662 -0.5049 -0.5049 0.8515 0.8515 1.0511 1.0511 1.1487 1.1487 1.4988 1.4988 1.5495 1.5495 1.5666 1.5666 1.6090 1.6090 1.7211 1.7211 1.8560 1.8560 2.3603 2.3603 2.3831 2.3831 2.5246 2.5246 2.5930 2.5930 3.0077 3.0077 3.3106 3.3106 3.7116 3.7116 3.7635 3.7635 3.8575 3.8575 5.3776 5.3776 5.5381 5.5381 5.8103 5.8103 6.8832 6.8832 7.9293 7.9293 8.7647 8.7647 10.3949 10.3949 10.4273 10.4273 k = 0.0000 0.0000 0.0213 ( 6695 PWs) bands (ev): -7.8842 -7.8842 -6.8732 -6.8732 -6.8666 -6.8666 -6.7665 -6.7661 -0.5045 -0.5042 0.8446 0.8529 1.0486 1.0537 1.1480 1.1501 1.4841 1.5069 1.5320 1.5403 1.5662 1.5926 1.6108 1.6123 1.7193 1.7266 1.8519 1.8667 2.3592 2.3614 2.3622 2.4029 2.5098 2.5374 2.5925 2.5979 3.0027 3.0112 3.2980 3.3178 3.7003 3.7108 3.7650 3.7778 3.8474 3.8717 5.3664 5.3781 5.5292 5.5339 5.8018 5.8147 6.8938 6.8960 7.9319 7.9356 8.7677 8.7709 10.3921 10.3947 10.4210 10.4301 k = 0.0000 0.0000 0.0427 ( 6707 PWs) bands (ev): -7.8823 -7.8823 -6.8743 -6.8743 -6.8677 -6.8677 -6.7669 -6.7662 -0.5029 -0.5023 0.8324 0.8486 1.0464 1.0568 1.1479 1.1523 1.4626 1.4989 1.5144 1.5347 1.5721 1.6089 1.6194 1.6258 1.7190 1.7400 1.8536 1.8835 2.3408 2.3586 2.3621 2.4204 2.4945 2.5476 2.5964 2.6075 2.9960 3.0132 3.2812 3.3189 3.6773 3.7078 3.7823 3.7938 3.8459 3.8884 5.3427 5.3669 5.5085 5.5205 5.7904 5.8139 6.9267 6.9308 7.9432 7.9504 8.7798 8.7862 10.3865 10.3917 10.4114 10.4294 k = 0.0000 0.0000 0.0640 ( 6703 PWs) bands (ev): -7.8791 -7.8791 -6.8763 -6.8762 -6.8696 -6.8696 -6.7675 -6.7666 -0.5002 -0.4992 0.8157 0.8388 1.0443 1.0603 1.1481 1.1553 1.4377 1.4683 1.5176 1.5312 1.5742 1.6069 1.6403 1.6449 1.7211 1.7634 1.8599 1.9052 2.3195 2.3587 2.3620 2.4333 2.4814 2.5553 2.6049 2.6213 2.9873 3.0140 3.2616 3.3141 3.6494 3.7047 3.8042 3.8081 3.8591 3.9072 5.3040 5.3395 5.4832 5.5037 5.7765 5.8076 6.9791 6.9846 7.9626 7.9731 8.8016 8.8111 10.3778 10.3856 10.3987 10.4250 k = 0.0000 0.0000 0.0853 ( 6705 PWs) bands (ev): -7.8747 -7.8746 -6.8791 -6.8789 -6.8723 -6.8721 -6.7684 -6.7671 -0.4964 -0.4950 0.7949 0.8239 1.0422 1.0644 1.1484 1.1590 1.4121 1.4382 1.5188 1.5263 1.5777 1.6025 1.6614 1.6621 1.7283 1.7946 1.8692 1.9300 2.2989 2.3598 2.3602 2.4362 2.4760 2.5611 2.6185 2.6384 2.9764 3.0132 3.2403 3.3041 3.6193 3.6988 3.8146 3.8389 3.8833 3.9283 5.2495 5.2917 5.4615 5.4878 5.7599 5.7959 7.0472 7.0536 7.9890 8.0023 8.8334 8.8458 10.3657 10.3763 10.3832 10.4166 k = 0.0000 0.0000 0.1067 ( 6713 PWs) bands (ev): -7.8689 -7.8689 -6.8827 -6.8824 -6.8756 -6.8753 -6.7694 -6.7678 -0.4915 -0.4897 0.7708 0.8044 1.0403 1.0689 1.1487 1.1633 1.3871 1.4098 1.5164 1.5182 1.5843 1.5989 1.6743 1.6831 1.7423 1.8303 1.8807 1.9566 2.2796 2.3560 2.3619 2.4283 2.4797 2.5656 2.6376 2.6581 2.9631 3.0109 3.2185 3.2904 3.5885 3.6884 3.8321 3.8733 3.9128 3.9518 5.1813 5.2258 5.4453 5.4741 5.7403 5.7794 7.1273 7.1342 8.0211 8.0368 8.8760 8.8911 10.3493 10.3636 10.3656 10.4040 k = 0.0000 0.0000 0.1280 ( 6709 PWs) bands (ev): -7.8620 -7.8619 -6.8871 -6.8866 -6.8795 -6.8790 -6.7707 -6.7688 -0.4856 -0.4834 0.7440 0.7811 1.0386 1.0739 1.1486 1.1677 1.3636 1.3840 1.5067 1.5109 1.5924 1.5975 1.6837 1.7056 1.7611 1.8680 1.8938 1.9837 2.2627 2.3482 2.3651 2.4176 2.4858 2.5694 2.6619 2.6799 2.9477 3.0068 3.1968 3.2742 3.5579 3.6745 3.8573 3.9101 3.9456 3.9781 5.1030 5.1474 5.4326 5.4621 5.7175 5.7586 7.2160 7.2233 8.0575 8.0748 8.9298 8.9474 10.3281 10.3468 10.3470 10.3870 k = 0.0000 0.0000 0.1493 ( 6717 PWs) bands (ev): -7.8538 -7.8537 -6.8924 -6.8917 -6.8839 -6.8832 -6.7723 -6.7700 -0.4788 -0.4760 0.7151 0.7545 1.0369 1.0792 1.1480 1.1718 1.3422 1.3612 1.4932 1.5033 1.5980 1.5996 1.6942 1.7282 1.7810 1.9041 1.9099 2.0097 2.2491 2.3364 2.3692 2.4085 2.4908 2.5722 2.6912 2.7039 2.9304 3.0009 3.1759 3.2566 3.5290 3.6590 3.8885 3.9487 3.9807 4.0071 5.0178 5.0615 5.4211 5.4509 5.6917 5.7339 7.3107 7.3183 8.0966 8.1150 8.9952 9.0151 10.3024 10.3259 10.3265 10.3660 k = 0.0000 0.0000 0.1707 ( 6719 PWs) bands (ev): -7.8444 -7.8443 -6.8985 -6.8975 -6.8887 -6.8879 -6.7741 -6.7715 -0.4710 -0.4678 0.6845 0.7253 1.0352 1.0846 1.1464 1.1750 1.3231 1.3423 1.4793 1.4946 1.5997 1.6042 1.7077 1.7502 1.7996 1.9227 1.9435 2.0332 2.2403 2.3211 2.3741 2.4020 2.4944 2.5739 2.7248 2.7300 2.9123 2.9934 3.1562 3.2386 3.5030 3.6439 3.9241 3.9883 4.0177 4.0390 4.9283 4.9712 5.4098 5.4399 5.6629 5.7058 7.4092 7.4172 8.1373 8.1561 9.0724 9.0944 10.2732 10.2997 10.3043 10.3418 k = 0.0000 0.0000 0.1920 ( 6727 PWs) bands (ev): -7.8339 -7.8337 -6.9053 -6.9041 -6.8940 -6.8930 -6.7762 -6.7733 -0.4625 -0.4587 0.6526 0.6942 1.0335 1.0898 1.1439 1.1765 1.3067 1.3279 1.4662 1.4852 1.6019 1.6062 1.7237 1.7707 1.8156 1.9392 1.9777 2.0528 2.2374 2.3036 2.3794 2.3974 2.4965 2.5742 2.7583 2.7622 2.8946 2.9849 3.1376 3.2208 3.4813 3.6306 3.9627 4.0283 4.0564 4.0738 4.8364 4.8790 5.3982 5.4288 5.6315 5.6747 7.5100 7.5186 8.1786 8.1971 9.1610 9.1848 10.2413 10.2683 10.2796 10.3152 k = 0.0000 0.0000 0.2133 ( 6739 PWs) bands (ev): -7.8222 -7.8220 -6.9127 -6.9114 -6.8997 -6.8985 -6.7786 -6.7755 -0.4533 -0.4488 0.6199 0.6616 1.0317 1.0943 1.1406 1.1759 1.2932 1.3185 1.4547 1.4758 1.6043 1.6063 1.7407 1.7890 1.8282 1.9561 2.0081 2.0681 2.2399 2.2856 2.3850 2.3938 2.4974 2.5729 2.7886 2.8028 2.8791 2.9764 3.1205 3.2037 3.4649 3.6200 4.0032 4.0681 4.0963 4.1112 4.7438 4.7864 5.3859 5.4172 5.5980 5.6412 7.6117 7.6211 8.2199 8.2376 9.2600 9.2859 10.2075 10.2326 10.2525 10.2866 k = 0.0000 0.0000 0.2347 ( 6743 PWs) bands (ev): -7.8094 -7.8091 -6.9209 -6.9193 -6.9057 -6.9044 -6.7814 -6.7780 -0.4434 -0.4383 0.5866 0.6280 1.0297 1.0974 1.1369 1.1730 1.2825 1.3142 1.4453 1.4666 1.6051 1.6067 1.7572 1.8045 1.8366 1.9724 2.0339 2.0805 2.2456 2.2681 2.3908 2.3908 2.4975 2.5701 2.8208 2.8459 2.8678 2.9691 3.1052 3.1880 3.4546 3.6129 4.0448 4.1072 4.1373 4.1509 4.6520 4.6950 5.3728 5.4050 5.5628 5.6056 7.7132 7.7237 8.2607 8.2771 9.3681 9.3963 10.1726 10.1941 10.2230 10.2558 k = 0.0000 0.0000 0.2560 ( 6753 PWs) bands (ev): -7.7955 -7.7952 -6.9295 -6.9279 -6.9119 -6.9105 -6.7845 -6.7808 -0.4330 -0.4271 0.5529 0.5936 1.0274 1.0981 1.1338 1.1684 1.2747 1.3143 1.4385 1.4579 1.6032 1.6091 1.7717 1.8170 1.8408 1.9863 2.0547 2.0921 2.2500 2.2522 2.3881 2.3973 2.4970 2.5666 2.8537 2.8628 2.8909 2.9645 3.0920 3.1739 3.4508 3.6101 4.0867 4.1449 4.1789 4.1925 4.5625 4.6058 5.3589 5.3920 5.5267 5.5686 7.8135 7.8255 8.3011 8.3159 9.4832 9.5145 10.1370 10.1540 10.1913 10.2226 k = 0.0000 0.0000 0.2773 ( 6753 PWs) bands (ev): -7.7806 -7.7802 -6.9387 -6.9370 -6.9184 -6.9170 -6.7880 -6.7841 -0.4222 -0.4155 0.5191 0.5589 1.0247 1.0955 1.1323 1.1629 1.2698 1.3178 1.4343 1.4500 1.6008 1.6112 1.7834 1.8264 1.8412 1.9945 2.0719 2.1044 2.2383 2.2489 2.3852 2.4049 2.4964 2.5637 2.8622 2.8898 2.9352 2.9654 3.0816 3.1620 3.4537 3.6120 4.1278 4.1802 4.2209 4.2353 4.4772 4.5203 5.3439 5.3783 5.4903 5.5308 7.9120 7.9258 8.3409 8.3540 9.6018 9.6375 10.1015 10.1131 10.1586 10.1877 k = 0.0000 0.0000 0.2987 ( 6753 PWs) bands (ev): -7.7647 -7.7642 -6.9484 -6.9466 -6.9251 -6.9236 -6.7919 -6.7878 -0.4110 -0.4035 0.4853 0.5241 1.0215 1.0896 1.1325 1.1577 1.2676 1.3233 1.4325 1.4430 1.5981 1.6130 1.7911 1.8327 1.8388 1.9941 2.0877 2.1178 2.2262 2.2395 2.3821 2.4139 2.4961 2.5630 2.8694 2.9246 2.9592 2.9913 3.0747 3.1527 3.4636 3.6191 4.1669 4.2102 4.2629 4.2784 4.4000 4.4401 5.3279 5.3636 5.4546 5.4931 8.0077 8.0237 8.3804 8.3916 9.7171 9.7598 10.0669 10.0718 10.1287 10.1542 k = 0.0000 0.0000 0.3200 ( 6759 PWs) bands (ev): -7.7479 -7.7473 -6.9585 -6.9566 -6.9319 -6.9304 -6.7963 -6.7920 -0.3996 -0.3912 0.4517 0.4894 1.0177 1.0813 1.1340 1.1535 1.2682 1.3299 1.4329 1.4371 1.5952 1.6143 1.7940 1.8358 1.8358 1.9846 2.1030 2.1302 2.2151 2.2231 2.3785 2.4236 2.4965 2.5652 2.8822 2.9586 2.9669 3.0368 3.0720 3.1464 3.4804 3.6318 4.2022 4.2245 4.3034 4.3161 4.3476 4.3688 5.3108 5.3479 5.4204 5.4564 8.1002 8.1187 8.4198 8.4289 9.8116 9.8654 10.0303 10.0336 10.1159 10.1356 k = 0.0000 0.0000 0.3413 ( 6751 PWs) bands (ev): -7.7301 -7.7294 -6.9689 -6.9670 -6.9388 -6.9373 -6.8011 -6.7967 -0.3880 -0.3787 0.4184 0.4549 1.0134 1.0714 1.1365 1.1510 1.2712 1.3366 1.4324 1.4353 1.5921 1.6150 1.7913 1.8341 1.8353 1.9685 2.1168 2.1358 2.2048 2.2063 2.3743 2.4332 2.4978 2.5703 2.8994 2.9755 2.9907 3.0737 3.0830 3.1434 3.5044 3.6506 4.1987 4.2273 4.3024 4.3208 4.3529 4.3721 5.2927 5.3311 5.3887 5.4218 8.1887 8.2102 8.4591 8.4661 9.8509 9.9111 9.9888 9.9981 10.1553 10.1717 k = 0.0000 0.0000 0.3627 ( 6767 PWs) bands (ev): -7.7116 -7.7108 -6.9796 -6.9777 -6.9457 -6.9442 -6.8064 -6.8018 -0.3763 -0.3661 0.3855 0.4208 1.0085 1.0604 1.1400 1.1506 1.2763 1.3428 1.4286 1.4391 1.5887 1.6150 1.7841 1.8302 1.8339 1.9494 2.1235 2.1266 2.1962 2.2014 2.3695 2.4417 2.4999 2.5776 2.9196 2.9852 3.0194 3.0803 3.1266 3.1440 3.5356 3.6759 4.1490 4.2142 4.2886 4.3365 4.3921 4.4145 5.2742 5.3131 5.3602 5.3903 8.2726 8.2973 8.4984 8.5034 9.8302 9.8839 9.9460 9.9571 10.2513 10.2733 k = 0.0000 0.0000 0.3840 ( 6767 PWs) bands (ev): -7.6922 -7.6913 -6.9906 -6.9888 -6.9525 -6.9511 -6.8122 -6.8075 -0.3646 -0.3535 0.3532 0.3873 1.0029 1.0486 1.1449 1.1527 1.2831 1.3482 1.4253 1.4439 1.5851 1.6139 1.7746 1.8192 1.8343 1.9313 2.0948 2.1295 2.1913 2.2083 2.3639 2.4485 2.5027 2.5864 2.9415 2.9951 3.0436 3.0908 3.1477 3.1660 3.5742 3.7078 4.1020 4.1746 4.3048 4.3556 4.4325 4.4568 5.2560 5.2943 5.3353 5.3628 8.3511 8.3794 8.5379 8.5407 9.7783 9.8233 9.9005 9.9117 10.3708 10.3989 k = 0.0000 0.0000 0.4053 ( 6767 PWs) bands (ev): -7.6721 -7.6711 -7.0019 -7.0001 -6.9593 -6.9579 -6.8184 -6.8137 -0.3529 -0.3409 0.3215 0.3543 0.9968 1.0363 1.1516 1.1575 1.2909 1.3526 1.4216 1.4493 1.5812 1.6114 1.7649 1.8016 1.8347 1.9173 2.0598 2.1245 2.1909 2.2183 2.3576 2.4531 2.5058 2.5960 2.9636 3.0043 3.0630 3.1042 3.1538 3.1995 3.6200 3.7464 4.0664 4.1417 4.3210 4.3719 4.4717 4.4980 5.2394 5.2755 5.3140 5.3396 8.4236 8.4557 8.5775 8.5781 9.7097 9.7469 9.8521 9.8627 10.3956 10.4342 k = 0.0000 0.0000 0.4267 ( 6769 PWs) bands (ev): -7.6514 -7.6502 -7.0133 -7.0115 -6.9659 -6.9645 -6.8252 -6.8205 -0.3414 -0.3284 0.2904 0.3221 0.9902 1.0238 1.1601 1.1650 1.2994 1.3559 1.4168 1.4547 1.5772 1.6069 1.7563 1.7795 1.8348 1.9078 2.0237 2.1143 2.1924 2.2272 2.3508 2.4552 2.5091 2.6060 2.9846 3.0115 3.0772 3.1189 3.1615 3.2263 3.6725 3.7915 4.0464 4.1217 4.3320 4.3833 4.5090 4.5371 5.2259 5.2584 5.2960 5.3204 8.4891 8.5251 8.6153 8.6172 9.6299 9.6600 9.8007 9.8104 10.3841 10.4228 k = 0.0000 0.0000 0.4480 ( 6773 PWs) bands (ev): -7.6301 -7.6288 -7.0248 -7.0232 -6.9722 -6.9709 -6.8325 -6.8278 -0.3299 -0.3161 0.2601 0.2907 0.9832 1.0113 1.1706 1.1754 1.3080 1.3580 1.4098 1.4593 1.5729 1.6002 1.7497 1.7563 1.8345 1.9018 1.9888 2.1017 2.1930 2.2339 2.3437 2.4541 2.5123 2.6164 3.0031 3.0149 3.0859 3.1338 3.1710 3.2469 3.7311 3.8427 4.0440 4.1164 4.3369 4.3889 4.5437 4.5737 5.2165 5.2445 5.2810 5.3046 8.5466 8.5864 8.6522 8.6567 9.5416 9.5653 9.7466 9.7548 10.3731 10.4122 k = 0.0000 0.0000 0.4693 ( 6781 PWs) bands (ev): -7.6083 -7.6068 -7.0365 -7.0350 -6.9782 -6.9771 -6.8403 -6.8356 -0.3186 -0.3039 0.2305 0.2601 0.9761 0.9991 1.1828 1.1885 1.3162 1.3586 1.4006 1.4621 1.5685 1.5913 1.7358 1.7458 1.8340 1.8979 1.9567 2.0884 2.1912 2.2377 2.3365 2.4492 2.5152 2.6270 3.0118 3.0167 3.0896 3.1482 3.1839 3.2641 3.7948 3.8991 4.0592 4.1259 4.3357 4.3886 4.5751 4.6072 5.2120 5.2349 5.2692 5.2919 8.5946 8.6381 8.6881 8.6956 9.4474 9.4651 9.6907 9.6971 10.3627 10.4024 k = 0.0000 0.0000 0.4907 ( 6781 PWs) bands (ev): -7.5860 -7.5844 -7.0482 -7.0470 -6.9839 -6.9829 -6.8486 -6.8440 -0.3074 -0.2919 0.2018 0.2304 0.9690 0.9873 1.1965 1.2042 1.3234 1.3552 1.3912 1.4618 1.5641 1.5817 1.7200 1.7450 1.8331 1.8952 1.9282 2.0753 2.1863 2.2387 2.3292 2.4401 2.5178 2.6377 2.9999 3.0213 3.0921 3.1621 3.2011 3.2812 3.8624 3.9598 4.0903 4.1488 4.3294 4.3826 4.6029 4.6371 5.2123 5.2301 5.2605 5.2822 8.6316 8.6779 8.7219 8.7330 9.3500 9.3617 9.6348 9.6388 10.3530 10.3933 k = 0.0000 0.0000 0.5120 ( 6785 PWs) bands (ev): -7.5634 -7.5616 -7.0601 -7.0590 -6.9892 -6.9883 -6.8573 -6.8529 -0.2963 -0.2800 0.1739 0.2016 0.9621 0.9763 1.2106 1.2221 1.3290 1.3442 1.3860 1.4577 1.5596 1.5743 1.7094 1.7470 1.8317 1.8931 1.9041 2.0629 2.1782 2.2371 2.3217 2.4265 2.5200 2.6484 2.9783 3.0134 3.0987 3.1764 3.2220 3.3006 3.9327 4.0234 4.1340 4.1820 4.3203 4.3719 4.6267 4.6632 5.2169 5.2301 5.2552 5.2755 8.6553 8.7036 8.7512 8.7669 9.2531 9.2585 9.5818 9.5827 10.3439 10.3851 k = 0.0000 0.0000 0.5333 ( 6781 PWs) bands (ev): -7.5405 -7.5385 -7.0720 -7.0712 -6.9940 -6.9932 -6.8665 -6.8623 -0.2853 -0.2683 0.1469 0.1737 0.9555 0.9662 1.2232 1.2413 1.3259 1.3329 1.3860 1.4510 1.5551 1.5711 1.7033 1.7512 1.8293 1.8857 1.8912 2.0516 2.1670 2.2329 2.3138 2.4080 2.5219 2.6591 2.9484 2.9957 3.1097 3.1913 3.2452 3.3227 4.0040 4.0883 4.1867 4.2192 4.3139 4.3585 4.6469 4.6855 5.2249 5.2341 5.2536 5.2719 8.6638 8.7125 8.7708 8.7929 9.1615 9.1635 9.5320 9.5351 10.3357 10.3778 k = 0.0000 0.0000 0.5547 ( 6781 PWs) bands (ev): -7.5174 -7.5152 -7.0840 -7.0835 -6.9983 -6.9976 -6.8761 -6.8721 -0.2744 -0.2567 0.1207 0.1468 0.9496 0.9571 1.2307 1.2577 1.3071 1.3367 1.3889 1.4450 1.5508 1.5723 1.7007 1.7567 1.8247 1.8743 1.8894 2.0416 2.1531 2.2264 2.3050 2.3847 2.5235 2.6696 2.9126 2.9729 3.1230 3.2072 3.2695 3.3468 4.0747 4.1522 4.2421 4.2429 4.3273 4.3472 4.6639 4.7042 5.2349 5.2415 5.2561 5.2714 8.6550 8.7023 8.7703 8.7998 9.0832 9.0930 9.4897 9.4980 10.3286 10.3716 k = 0.0000 0.0000 0.5760 ( 6785 PWs) bands (ev): -7.4942 -7.4918 -7.0962 -7.0960 -7.0019 -7.0013 -6.8860 -6.8822 -0.2634 -0.2451 0.0955 0.1209 0.9444 0.9492 1.2284 1.2545 1.3064 1.3447 1.3939 1.4422 1.5468 1.5766 1.7008 1.7627 1.8172 1.8708 1.8872 2.0333 2.1366 2.2177 2.2948 2.3567 2.5251 2.6798 2.8737 2.9485 3.1373 3.2238 3.2936 3.3716 4.1426 4.2096 4.2440 4.2795 4.3576 4.3718 4.6793 4.7205 5.2450 5.2514 5.2634 5.2739 8.6284 8.6726 8.7362 8.7690 9.0438 9.0567 9.4579 9.4721 10.3230 10.3667 k = 0.0000 0.0000 0.5973 ( 6793 PWs) bands (ev): -7.4710 -7.4684 -7.1086 -7.1085 -7.0049 -7.0045 -6.8962 -6.8927 -0.2524 -0.2336 0.0712 0.0959 0.9402 0.9427 1.2149 1.2307 1.3250 1.3593 1.4007 1.4431 1.5437 1.5831 1.7031 1.7682 1.8082 1.8739 1.8846 2.0268 2.1180 2.2070 2.2829 2.3244 2.5269 2.6897 2.8339 2.9244 3.1522 3.2412 3.3162 3.3959 4.2051 4.2217 4.2748 4.2784 4.4102 4.4309 4.6953 4.7357 5.2545 5.2627 5.2750 5.2788 8.5853 8.6253 8.6696 8.6996 9.0456 9.0549 9.4367 9.4570 10.3192 10.3636 k = 0.0000 0.0000 0.6187 ( 6789 PWs) bands (ev): -7.4478 -7.4451 -7.1214 -7.1210 -7.0072 -7.0069 -6.9065 -6.9033 -0.2412 -0.2219 0.0477 0.0719 0.9371 0.9378 1.1933 1.2021 1.3464 1.3792 1.4101 1.4467 1.5423 1.5911 1.7074 1.7727 1.7993 1.8813 1.8818 2.0224 2.0973 2.1942 2.2689 2.2885 2.5289 2.6993 2.7950 2.9017 3.1677 3.2591 3.3362 3.4185 4.2101 4.2561 4.2689 4.3192 4.4778 4.4950 4.7147 4.7522 5.2640 5.2747 5.2855 5.2886 8.5285 8.5639 8.5861 8.6125 9.0692 9.0737 9.4244 9.4502 10.3177 10.3625 k = 0.0000 0.0000 0.6400 ( 6783 PWs) bands (ev): -7.4248 -7.4219 -7.1345 -7.1337 -7.0087 -7.0086 -6.9169 -6.9141 -0.2299 -0.2102 0.0252 0.0489 0.9345 0.9354 1.1675 1.1726 1.3653 1.4017 1.4222 1.4520 1.5443 1.6009 1.7133 1.7762 1.7912 1.8771 1.8932 2.0204 2.0747 2.1789 2.2503 2.2525 2.5313 2.7086 2.7583 2.8810 3.1836 3.2777 3.3527 3.4382 4.1996 4.2503 4.3053 4.3522 4.5484 4.5606 4.7399 4.7719 5.2740 5.2867 5.2933 5.3026 8.4618 8.4925 8.4989 8.5230 9.1018 9.1019 9.4183 9.4485 10.3191 10.3640 k = 0.0000 0.0000 0.6613 ( 6777 PWs) bands (ev): -7.4021 -7.3991 -7.1480 -7.1468 -7.0095 -7.0094 -6.9273 -6.9249 -0.2182 -0.1982 0.0036 0.0268 0.9330 0.9351 1.1401 1.1435 1.3798 1.4243 1.4354 1.4581 1.5521 1.6128 1.7206 1.7787 1.7844 1.8722 1.9069 2.0207 2.0503 2.1596 2.2122 2.2340 2.5343 2.7176 2.7247 2.8624 3.2002 3.2967 3.3649 3.4539 4.1929 4.2402 4.3363 4.3714 4.6182 4.6256 4.7716 4.7962 5.2842 5.2981 5.3016 5.3158 8.3889 8.4147 8.4152 8.4387 9.1343 9.1379 9.4155 9.4487 10.3238 10.3684 k = 0.0000 0.0000 0.6827 ( 6778 PWs) bands (ev): -7.3798 -7.3766 -7.1618 -7.1603 -7.0093 -7.0093 -6.9376 -6.9355 -0.2063 -0.1860 -0.0172 0.0057 0.9335 0.9365 1.1127 1.1155 1.3907 1.4452 1.4457 1.4645 1.5684 1.6277 1.7289 1.7773 1.7820 1.8664 1.9219 2.0229 2.0245 2.1327 2.1791 2.2136 2.5381 2.6947 2.7263 2.8458 3.2173 3.3162 3.3722 3.4649 4.1910 4.2343 4.3544 4.3774 4.6852 4.6882 4.8079 4.8250 5.2945 5.3083 5.3095 5.3275 8.3144 8.3367 8.3386 8.3614 9.1682 9.1751 9.4136 9.4485 10.3324 10.3762 k = 0.0000 0.0000 0.7040 ( 6782 PWs) bands (ev): -7.3578 -7.3546 -7.1762 -7.1743 -7.0083 -7.0083 -6.9475 -6.9458 -0.1940 -0.1734 -0.0371 -0.0145 0.9360 0.9397 1.0862 1.0890 1.3996 1.4508 1.4627 1.4708 1.5935 1.6466 1.7380 1.7722 1.7844 1.8600 1.9366 1.9959 2.0286 2.0971 2.1537 2.1918 2.5426 2.6682 2.7348 2.8311 3.2350 3.3360 3.3745 3.4707 4.1945 4.2334 4.3605 4.3728 4.7469 4.7477 4.8450 4.8560 5.3045 5.3166 5.3171 5.3372 8.2447 8.2649 8.2693 8.2908 9.2023 9.2123 9.4106 9.4459 10.3450 10.3875 k = 0.0000 0.0000 0.7253 ( 6782 PWs) bands (ev): -7.3365 -7.3331 -7.1911 -7.1889 -7.0064 -7.0063 -6.9571 -6.9557 -0.1812 -0.1604 -0.0561 -0.0338 0.9406 0.9449 1.0612 1.0643 1.4073 1.4514 1.4753 1.4773 1.6250 1.6694 1.7473 1.7673 1.7879 1.8534 1.9480 1.9663 2.0360 2.0598 2.1328 2.1695 2.5481 2.6453 2.7431 2.8181 3.2531 3.3560 3.3719 3.4713 4.2031 4.2378 4.3571 4.3604 4.8000 4.8038 4.8791 4.8861 5.3140 5.3226 5.3241 5.3443 8.1843 8.2033 8.2080 8.2282 9.2355 9.2486 9.4052 9.4397 10.3618 10.4026 k = 0.0000 0.0000 0.7467 ( 6786 PWs) bands (ev): -7.3157 -7.3123 -7.2066 -7.2041 -7.0034 -7.0034 -6.9661 -6.9651 -0.1678 -0.1469 -0.0743 -0.0523 0.9475 0.9520 1.0381 1.0416 1.4144 1.4489 1.4816 1.4851 1.6594 1.6954 1.7561 1.7624 1.7938 1.8473 1.9356 1.9472 2.0332 2.0458 2.1133 2.1474 2.5547 2.6257 2.7513 2.8063 3.2715 3.3650 3.3758 3.4670 4.2164 4.2470 4.3428 4.3466 4.8460 4.8520 4.9066 4.9117 5.3231 5.3273 5.3292 5.3486 8.1360 8.1543 8.1564 8.1755 9.2672 9.2833 9.3965 9.4294 10.3827 10.4215 k = 0.0000 0.0000 0.7680 ( 6792 PWs) bands (ev): -7.2956 -7.2922 -7.2229 -7.2201 -6.9995 -6.9995 -6.9744 -6.9737 -0.1539 -0.1328 -0.0917 -0.0699 0.9567 0.9613 1.0172 1.0210 1.4211 1.4448 1.4862 1.4901 1.6926 1.7224 1.7569 1.7634 1.8044 1.8431 1.9049 1.9238 2.0298 2.0578 2.0943 2.1262 2.5624 2.6088 2.7596 2.7957 3.2899 3.3543 3.3953 3.4583 4.2337 4.2604 4.3219 4.3315 4.8834 4.8906 4.9248 4.9296 5.3307 5.3314 5.3324 5.3500 8.1016 8.1165 8.1194 8.1349 9.2968 9.3159 9.3840 9.4147 10.4072 10.4439 k = 0.0000 0.0000 0.7894 ( 6802 PWs) bands (ev): -7.2763 -7.2730 -7.2399 -7.2369 -6.9946 -6.9945 -6.9820 -6.9815 -0.1394 -0.1181 -0.1084 -0.0867 0.9682 0.9728 0.9985 1.0027 1.4276 1.4396 1.4897 1.4921 1.7200 1.7465 1.7496 1.7668 1.8231 1.8440 1.8765 1.8880 2.0412 2.0719 2.0756 2.1063 2.5714 2.5944 2.7680 2.7858 3.3079 3.3408 3.4138 3.4460 4.2540 4.2768 4.2992 4.3138 4.9108 4.9182 4.9319 4.9376 5.3330 5.3339 5.3388 5.3486 8.0822 8.0901 8.0999 8.1080 9.3237 9.3458 9.3676 9.3957 10.4350 10.4694 k = 0.0000 0.0000 0.8107 ( 6806 PWs) bands (ev): -7.2577 -7.2577 -7.2545 -7.2545 -6.9888 -6.9888 -6.9885 -6.9885 -0.1242 -0.1242 -0.1028 -0.1028 0.9821 0.9821 0.9866 0.9866 1.4338 1.4338 1.4918 1.4918 1.7384 1.7384 1.7622 1.7622 1.8520 1.8520 1.8547 1.8547 2.0576 2.0576 2.0882 2.0882 2.5820 2.5820 2.7767 2.7767 3.3251 3.3251 3.4310 3.4310 4.2762 4.2762 4.2950 4.2950 4.9273 4.9273 4.9340 4.9340 5.3341 5.3341 5.3447 5.3447 8.0784 8.0784 8.0961 8.0961 9.3474 9.3474 9.3726 9.3726 10.4653 10.4653 k = 0.0000 0.0000 0.8107 ( 6806 PWs) bands (ev): -7.2577 -7.2577 -7.2545 -7.2545 -6.9888 -6.9888 -6.9885 -6.9885 -0.1242 -0.1242 -0.1028 -0.1028 0.9821 0.9821 0.9866 0.9866 1.4338 1.4338 1.4918 1.4918 1.7384 1.7384 1.7622 1.7622 1.8520 1.8520 1.8547 1.8547 2.0576 2.0576 2.0882 2.0882 2.5820 2.5820 2.7767 2.7767 3.3251 3.3251 3.4310 3.4310 4.2762 4.2762 4.2950 4.2950 4.9273 4.9273 4.9340 4.9340 5.3341 5.3341 5.3447 5.3447 8.0784 8.0784 8.0961 8.0961 9.3474 9.3474 9.3726 9.3726 10.4653 10.4653 k =-0.0128 0.0163 0.8107 ( 6796 PWs) bands (ev): -7.2577 -7.2577 -7.2545 -7.2545 -6.9889 -6.9889 -6.9885 -6.9885 -0.1240 -0.1240 -0.1024 -0.1024 0.9818 0.9818 0.9876 0.9876 1.4340 1.4340 1.4922 1.4922 1.7385 1.7385 1.7626 1.7626 1.8516 1.8516 1.8557 1.8557 2.0576 2.0576 2.0888 2.0888 2.5822 2.5822 2.7768 2.7768 3.3243 3.3243 3.4302 3.4302 4.2742 4.2742 4.2935 4.2935 4.9261 4.9261 4.9338 4.9338 5.3325 5.3325 5.3433 5.3433 8.0803 8.0803 8.0980 8.0980 9.3532 9.3532 9.3784 9.3784 10.4605 10.4605 k =-0.0256 0.0326 0.8107 ( 6784 PWs) bands (ev): -7.2576 -7.2576 -7.2544 -7.2544 -6.9892 -6.9892 -6.9887 -6.9887 -0.1231 -0.1231 -0.1014 -0.1014 0.9813 0.9813 0.9900 0.9900 1.4348 1.4348 1.4935 1.4935 1.7389 1.7389 1.7638 1.7638 1.8510 1.8510 1.8579 1.8579 2.0577 2.0577 2.0907 2.0907 2.5829 2.5829 2.7770 2.7770 3.3221 3.3221 3.4279 3.4279 4.2684 4.2684 4.2890 4.2890 4.9229 4.9229 4.9329 4.9329 5.3278 5.3278 5.3393 5.3393 8.0861 8.0861 8.1038 8.1038 9.3705 9.3705 9.3958 9.3958 10.4461 10.4461 k =-0.0384 0.0490 0.8107 ( 6786 PWs) bands (ev): -7.2575 -7.2575 -7.2544 -7.2544 -6.9897 -6.9897 -6.9890 -6.9890 -0.1217 -0.1217 -0.0998 -0.0998 0.9811 0.9811 0.9933 0.9933 1.4359 1.4359 1.4956 1.4956 1.7395 1.7395 1.7655 1.7655 1.8510 1.8510 1.8607 1.8607 2.0578 2.0578 2.0938 2.0938 2.5840 2.5840 2.7775 2.7775 3.3183 3.3183 3.4240 3.4240 4.2588 4.2588 4.2815 4.2815 4.9180 4.9180 4.9310 4.9310 5.3202 5.3202 5.3326 5.3326 8.0956 8.0956 8.1134 8.1134 9.3987 9.3987 9.4242 9.4242 10.4221 10.4221 k =-0.0512 0.0653 0.8107 ( 6794 PWs) bands (ev): -7.2574 -7.2574 -7.2543 -7.2543 -6.9902 -6.9902 -6.9894 -6.9894 -0.1198 -0.1198 -0.0976 -0.0976 0.9816 0.9816 0.9973 0.9973 1.4375 1.4375 1.4984 1.4984 1.7404 1.7404 1.7676 1.7676 1.8516 1.8516 1.8642 1.8642 2.0581 2.0581 2.0981 2.0981 2.5857 2.5857 2.7781 2.7781 3.3132 3.3132 3.4187 3.4187 4.2455 4.2455 4.2709 4.2709 4.9118 4.9118 4.9280 4.9280 5.3101 5.3101 5.3237 5.3237 8.1090 8.1090 8.1269 8.1269 9.4367 9.4367 9.4627 9.4627 10.3886 10.3886 k =-0.0640 0.0816 0.8107 ( 6802 PWs) bands (ev): -7.2574 -7.2574 -7.2543 -7.2543 -6.9909 -6.9909 -6.9898 -6.9898 -0.1176 -0.1176 -0.0949 -0.0949 0.9827 0.9827 1.0020 1.0020 1.4394 1.4394 1.5020 1.5020 1.7415 1.7415 1.7698 1.7698 1.8529 1.8529 1.8686 1.8686 2.0585 2.0585 2.1035 2.1035 2.5878 2.5878 2.7789 2.7789 3.3067 3.3067 3.4120 3.4120 4.2288 4.2288 4.2574 4.2574 4.9045 4.9045 4.9238 4.9238 5.2979 5.2979 5.3128 5.3128 8.1261 8.1261 8.1441 8.1441 9.4834 9.4834 9.5100 9.5100 10.3458 10.3458 k =-0.0767 0.0979 0.8107 ( 6794 PWs) bands (ev): -7.2574 -7.2574 -7.2544 -7.2544 -6.9915 -6.9915 -6.9902 -6.9902 -0.1149 -0.1149 -0.0918 -0.0918 0.9846 0.9846 1.0075 1.0075 1.4417 1.4417 1.5062 1.5062 1.7430 1.7430 1.7719 1.7719 1.8549 1.8549 1.8740 1.8740 2.0593 2.0593 2.1099 2.1099 2.5906 2.5906 2.7799 2.7799 3.2991 3.2991 3.4040 3.4040 4.2088 4.2088 4.2409 4.2409 4.8962 4.8962 4.9185 4.9185 5.2839 5.2839 5.3003 5.3003 8.1469 8.1469 8.1651 8.1651 9.5369 9.5369 9.5645 9.5645 10.2944 10.2944 k =-0.0895 0.1143 0.8107 ( 6788 PWs) bands (ev): -7.2575 -7.2575 -7.2546 -7.2546 -6.9920 -6.9920 -6.9906 -6.9906 -0.1121 -0.1121 -0.0884 -0.0884 0.9871 0.9871 1.0136 1.0136 1.4443 1.4443 1.5110 1.5110 1.7445 1.7445 1.7738 1.7738 1.8576 1.8576 1.8807 1.8807 2.0603 2.0603 2.1172 2.1172 2.5939 2.5939 2.7812 2.7812 3.2905 3.2905 3.3947 3.3947 4.1859 4.1859 4.2216 4.2216 4.8871 4.8871 4.9123 4.9123 5.2687 5.2687 5.2865 5.2865 8.1713 8.1713 8.1897 8.1897 9.5950 9.5950 9.6241 9.6241 10.2356 10.2356 k =-0.1023 0.1306 0.8107 ( 6780 PWs) bands (ev): -7.2579 -7.2579 -7.2551 -7.2551 -6.9924 -6.9924 -6.9909 -6.9909 -0.1091 -0.1091 -0.0849 -0.0849 0.9904 0.9904 1.0204 1.0204 1.4469 1.4469 1.5162 1.5162 1.7459 1.7459 1.7753 1.7753 1.8609 1.8609 1.8889 1.8889 2.0618 2.0618 2.1254 2.1254 2.5979 2.5979 2.7827 2.7827 3.2809 3.2809 3.3843 3.3843 4.1603 4.1603 4.1999 4.1999 4.8773 4.8773 4.9051 4.9051 5.2526 5.2526 5.2718 5.2718 8.1990 8.1990 8.2176 8.2176 9.6548 9.6548 9.6860 9.6860 10.1707 10.1707 k =-0.1151 0.1469 0.8107 ( 6788 PWs) bands (ev): -7.2585 -7.2585 -7.2558 -7.2558 -6.9926 -6.9926 -6.9909 -6.9909 -0.1060 -0.1060 -0.0812 -0.0812 0.9945 0.9945 1.0278 1.0278 1.4497 1.4497 1.5218 1.5218 1.7470 1.7470 1.7765 1.7765 1.8647 1.8647 1.8988 1.8988 2.0637 2.0637 2.1344 2.1344 2.6026 2.6026 2.7844 2.7844 3.2706 3.2706 3.3730 3.3730 4.1325 4.1325 4.1759 4.1759 4.8670 4.8670 4.8971 4.8971 5.2359 5.2359 5.2565 5.2565 8.2299 8.2299 8.2488 8.2488 9.7128 9.7128 9.7461 9.7461 10.1022 10.1022 k =-0.1279 0.1632 0.8107 ( 6780 PWs) bands (ev): -7.2594 -7.2594 -7.2568 -7.2568 -6.9925 -6.9925 -6.9907 -6.9907 -0.1031 -0.1031 -0.0777 -0.0777 0.9994 0.9994 1.0359 1.0359 1.4525 1.4525 1.5276 1.5276 1.7474 1.7474 1.7776 1.7776 1.8693 1.8693 1.9104 1.9104 2.0661 2.0661 2.1443 2.1443 2.6081 2.6081 2.7865 2.7865 3.2596 3.2596 3.3607 3.3607 4.1029 4.1029 4.1502 4.1502 4.8562 4.8562 4.8885 4.8885 5.2190 5.2190 5.2408 5.2408 8.2636 8.2636 8.2829 8.2829 9.7633 9.7633 9.7976 9.7976 10.0344 10.0344 k =-0.1407 0.1796 0.8107 ( 6786 PWs) bands (ev): -7.2607 -7.2607 -7.2582 -7.2582 -6.9920 -6.9920 -6.9901 -6.9901 -0.1003 -0.1003 -0.0743 -0.0743 1.0050 1.0050 1.0447 1.0447 1.4552 1.4552 1.5335 1.5335 1.7469 1.7469 1.7784 1.7784 1.8745 1.8745 1.9237 1.9237 2.0692 2.0692 2.1548 2.1548 2.6143 2.6143 2.7887 2.7887 3.2481 3.2481 3.3476 3.3476 4.0723 4.0723 4.1233 4.1233 4.8451 4.8451 4.8792 4.8792 5.2022 5.2022 5.2251 5.2251 8.2999 8.2999 8.3194 8.3194 9.7956 9.7956 9.8246 9.8246 9.9785 9.9785 k =-0.1535 0.1959 0.8107 ( 6786 PWs) bands (ev): -7.2624 -7.2624 -7.2601 -7.2601 -6.9911 -6.9911 -6.9891 -6.9891 -0.0979 -0.0979 -0.0713 -0.0713 1.0114 1.0114 1.0539 1.0539 1.4578 1.4578 1.5394 1.5394 1.7453 1.7453 1.7790 1.7790 1.8808 1.8808 1.9385 1.9385 2.0731 2.0731 2.1660 2.1660 2.6213 2.6213 2.7912 2.7912 3.2361 3.2361 3.3338 3.3338 4.0411 4.0411 4.0956 4.0956 4.8338 4.8338 4.8695 4.8695 5.1856 5.1856 5.2095 5.2095 8.3381 8.3381 8.3581 8.3581 9.7881 9.7881 9.8022 9.8022 9.9549 9.9549 k =-0.1535 0.1959 0.8107 ( 6786 PWs) bands (ev): -7.2624 -7.2624 -7.2601 -7.2601 -6.9911 -6.9911 -6.9891 -6.9891 -0.0979 -0.0979 -0.0713 -0.0713 1.0114 1.0114 1.0539 1.0539 1.4578 1.4578 1.5394 1.5394 1.7453 1.7453 1.7790 1.7790 1.8808 1.8808 1.9385 1.9385 2.0731 2.0731 2.1660 2.1660 2.6213 2.6213 2.7912 2.7912 3.2361 3.2361 3.3338 3.3338 4.0411 4.0411 4.0956 4.0956 4.8338 4.8338 4.8695 4.8695 5.1856 5.1856 5.2095 5.2095 8.3381 8.3381 8.3581 8.3581 9.7881 9.7881 9.8022 9.8022 9.9549 9.9549 k =-0.1626 0.2075 0.7959 ( 6794 PWs) bands (ev): -7.2722 -7.2703 -7.2554 -7.2539 -6.9966 -6.9951 -6.9829 -6.9812 -0.1059 -0.0865 -0.0790 -0.0596 1.0124 1.0178 1.0607 1.0657 1.4551 1.4638 1.5404 1.5461 1.7350 1.7488 1.7666 1.7912 1.8753 1.8877 1.9404 1.9701 2.0752 2.0793 2.1703 2.1795 2.6232 2.6308 2.7878 2.7987 3.2193 3.2291 3.3191 3.3330 4.0045 4.0334 4.0641 4.0876 4.8101 4.8324 4.8482 4.8677 5.1647 5.1779 5.1966 5.2136 8.3684 8.3694 8.3886 8.3907 9.7175 9.7303 9.7870 9.7957 9.9456 9.9672 k =-0.1717 0.2192 0.7811 ( 6790 PWs) bands (ev): -7.2818 -7.2799 -7.2500 -7.2488 -7.0020 -7.0006 -6.9742 -6.9723 -0.1135 -0.0864 -0.0753 -0.0481 1.0130 1.0221 1.0719 1.0804 1.4523 1.4691 1.5410 1.5525 1.7210 1.7455 1.7620 1.7992 1.8640 1.8886 1.9549 2.0048 2.0796 2.0886 2.1762 2.1938 2.6268 2.6408 2.7850 2.8067 3.1995 3.2127 3.3116 3.3341 3.9692 4.0251 4.0336 4.0792 4.7781 4.8183 4.8216 4.8562 5.1472 5.1608 5.2031 5.2234 8.4043 8.4052 8.4258 8.4287 9.6317 9.6484 9.7762 9.7857 9.9360 9.9820 k =-0.1808 0.2308 0.7663 ( 6784 PWs) bands (ev): -7.2911 -7.2893 -7.2457 -7.2448 -7.0073 -7.0058 -6.9648 -6.9626 -0.1208 -0.0934 -0.0645 -0.0371 1.0143 1.0258 1.0861 1.0967 1.4491 1.4733 1.5414 1.5582 1.7048 1.7366 1.7643 1.8017 1.8520 1.8868 1.9763 2.0357 2.0887 2.1023 2.1835 2.2090 2.6319 2.6514 2.7825 2.8151 3.1774 3.1891 3.3096 3.3362 3.9354 4.0034 4.0170 4.0704 4.7390 4.7813 4.8006 4.8350 5.1346 5.1473 5.2165 5.2375 8.4434 8.4468 8.4685 8.4714 9.5432 9.5622 9.7630 9.7726 9.9239 9.9712 k =-0.1900 0.2424 0.7515 ( 6788 PWs) bands (ev): -7.3000 -7.2982 -7.2424 -7.2419 -7.0123 -7.0109 -6.9548 -6.9524 -0.1278 -0.1000 -0.0540 -0.0265 1.0169 1.0300 1.1019 1.1138 1.4453 1.4759 1.5420 1.5633 1.6883 1.7275 1.7674 1.7986 1.8428 1.8841 2.0004 2.0556 2.1042 2.1242 2.1918 2.2248 2.6380 2.6627 2.7804 2.8241 3.1524 3.1632 3.3099 3.3387 3.9034 3.9746 4.0083 4.0612 4.6944 4.7387 4.7706 4.8052 5.1267 5.1393 5.2341 5.2550 8.4851 8.4930 8.5145 8.5184 9.4551 9.4756 9.7497 9.7589 9.9087 9.9554 k =-0.1991 0.2541 0.7368 ( 6782 PWs) bands (ev): -7.3085 -7.3067 -7.2401 -7.2397 -7.0171 -7.0157 -6.9446 -6.9418 -0.1343 -0.1063 -0.0439 -0.0164 1.0209 1.0352 1.1185 1.1311 1.4407 1.4762 1.5434 1.5677 1.6729 1.7194 1.7693 1.7913 1.8364 1.8815 2.0251 2.0658 2.1215 2.1565 2.2014 2.2413 2.6449 2.6749 2.7786 2.8336 3.1231 3.1394 3.3105 3.3412 3.8733 3.9464 3.9997 4.0518 4.6457 4.6920 4.7333 4.7687 5.1224 5.1357 5.2545 5.2749 8.5286 8.5429 8.5622 8.5690 9.3691 9.3904 9.7374 9.7465 9.8911 9.9357 k =-0.2082 0.2657 0.7220 ( 6776 PWs) bands (ev): -7.3165 -7.3148 -7.2386 -7.2382 -7.0217 -7.0202 -6.9342 -6.9312 -0.1405 -0.1123 -0.0344 -0.0070 1.0266 1.0416 1.1354 1.1483 1.4348 1.4735 1.5461 1.5713 1.6595 1.7125 1.7681 1.7843 1.8310 1.8797 2.0482 2.0726 2.1391 2.1937 2.2124 2.2583 2.6518 2.6880 2.7771 2.8434 3.0919 3.1177 3.3104 3.3437 3.8449 3.9184 3.9915 4.0422 4.5943 4.6429 4.6912 4.7281 5.1207 5.1350 5.2768 5.2965 8.5730 8.5952 8.6103 8.6216 9.2865 9.3082 9.7264 9.7362 9.8731 9.9140 k =-0.2173 0.2774 0.7072 ( 6782 PWs) bands (ev): -7.3241 -7.3225 -7.2378 -7.2372 -7.0259 -7.0245 -6.9239 -6.9206 -0.1463 -0.1179 -0.0253 0.0018 1.0338 1.0493 1.1522 1.1650 1.4273 1.4676 1.5503 1.5740 1.6490 1.7073 1.7617 1.7814 1.8255 1.8785 2.0665 2.0807 2.1572 2.2253 2.2318 2.2760 2.6582 2.7021 2.7759 2.8533 3.0609 3.0977 3.3092 3.3461 3.8179 3.8902 3.9838 4.0325 4.5414 4.5927 4.6461 4.6852 5.1204 5.1358 5.3002 5.3192 8.6170 8.6480 8.6581 8.6748 9.2088 9.2306 9.7160 9.7280 9.8572 9.8931 k =-0.2264 0.2890 0.6924 ( 6790 PWs) bands (ev): -7.3311 -7.3296 -7.2375 -7.2367 -7.0299 -7.0285 -6.9138 -6.9103 -0.1517 -0.1232 -0.0169 0.0099 1.0426 1.0583 1.1685 1.1809 1.4180 1.4587 1.5556 1.5757 1.6419 1.7039 1.7533 1.7801 1.8201 1.8777 2.0750 2.0951 2.1757 2.2402 2.2679 2.2955 2.6632 2.7170 2.7752 2.8626 3.0324 3.0795 3.3069 3.3485 3.7919 3.8613 3.9769 4.0229 4.4884 4.5428 4.5997 4.6418 5.1210 5.1372 5.3241 5.3423 8.6591 8.6956 8.7077 8.7264 9.1380 9.1598 9.7049 9.7209 9.8460 9.8767 k =-0.2356 0.3006 0.6776 ( 6794 PWs) bands (ev): -7.3377 -7.3362 -7.2375 -7.2365 -7.0336 -7.0322 -6.9041 -6.9004 -0.1567 -0.1280 -0.0090 0.0173 1.0529 1.0686 1.1841 1.1957 1.4065 1.4473 1.5618 1.5763 1.6386 1.7026 1.7453 1.7782 1.8153 1.8769 2.0787 2.1107 2.1942 2.2570 2.2969 2.3212 2.6660 2.7320 2.7756 2.8698 3.0088 3.0637 3.3040 3.3510 3.7662 3.8313 3.9707 4.0133 4.4364 4.4945 4.5534 4.5994 5.1219 5.1388 5.3479 5.3653 8.6974 8.7331 8.7588 8.7737 9.0774 9.0996 9.6917 9.7127 9.8420 9.8697 k =-0.2447 0.3123 0.6628 ( 6792 PWs) bands (ev): -7.3436 -7.3422 -7.2377 -7.2365 -7.0370 -7.0356 -6.8949 -6.8910 -0.1613 -0.1325 -0.0019 0.0239 1.0645 1.0800 1.1988 1.2092 1.3931 1.4337 1.5680 1.5761 1.6388 1.7033 1.7387 1.7749 1.8114 1.8756 2.0807 2.1246 2.2123 2.2751 2.3174 2.3538 2.6658 2.7449 2.7788 2.8729 2.9931 3.0507 3.3009 3.3534 3.7402 3.7999 3.9653 4.0039 4.3865 4.4489 4.5082 4.5588 5.1227 5.1402 5.3713 5.3879 8.7290 8.7577 8.8045 8.8137 9.0329 9.0568 9.6757 9.7011 9.8468 9.8757 k =-0.2538 0.3239 0.6480 ( 6787 PWs) bands (ev): -7.3490 -7.3477 -7.2382 -7.2368 -7.0401 -7.0386 -6.8864 -6.8823 -0.1655 -0.1366 0.0046 0.0297 1.0775 1.0924 1.2121 1.2213 1.3780 1.4186 1.5738 1.5755 1.6421 1.7062 1.7334 1.7707 1.8085 1.8738 2.0816 2.1365 2.2294 2.2931 2.3353 2.3877 2.6618 2.7524 2.7873 2.8704 2.9880 3.0413 3.2980 3.3561 3.7133 3.7672 3.9604 3.9947 4.3398 4.4072 4.4651 4.5212 5.1234 5.1412 5.3936 5.4095 8.7482 8.7629 8.8321 8.8504 9.0135 9.0407 9.6581 9.6853 9.8619 9.8944 k =-0.2629 0.3355 0.6333 ( 6777 PWs) bands (ev): -7.3538 -7.3526 -7.2387 -7.2372 -7.0428 -7.0414 -6.8787 -6.8744 -0.1692 -0.1402 0.0104 0.0348 1.0917 1.1057 1.2241 1.2318 1.3615 1.4024 1.5749 1.5785 1.6479 1.7108 1.7295 1.7665 1.8059 1.8712 2.0814 2.1469 2.2456 2.3096 2.3529 2.4204 2.6539 2.7539 2.8000 2.8637 2.9924 3.0361 3.2961 3.3592 3.6850 3.7331 3.9559 3.9858 4.2972 4.3701 4.4249 4.4870 5.1239 5.1419 5.4145 5.4297 8.7445 8.7494 8.8469 8.8819 9.0232 9.0518 9.6400 9.6671 9.8871 9.9234 k =-0.2720 0.3472 0.6185 ( 6773 PWs) bands (ev): -7.3580 -7.3569 -7.2393 -7.2376 -7.0452 -7.0437 -6.8718 -6.8674 -0.1724 -0.1434 0.0155 0.0392 1.1069 1.1197 1.2343 1.2407 1.3441 1.3856 1.5746 1.5817 1.6556 1.7166 1.7266 1.7634 1.8032 1.8681 2.0805 2.1558 2.2606 2.3231 2.3712 2.4511 2.6424 2.7518 2.8130 2.8564 3.0027 3.0361 3.2956 3.3627 3.6552 3.6983 3.9517 3.9772 4.2596 4.3380 4.3884 4.4569 5.1241 5.1423 5.4336 5.4481 8.7175 8.7270 8.8615 8.9065 9.0515 9.0787 9.6228 9.6483 9.9203 9.9604 k =-0.2811 0.3588 0.6037 ( 6773 PWs) bands (ev): -7.3615 -7.3605 -7.2398 -7.2380 -7.0472 -7.0458 -6.8658 -6.8613 -0.1752 -0.1461 0.0198 0.0429 1.1230 1.1340 1.2422 1.2485 1.3261 1.3687 1.5747 1.5835 1.6645 1.7219 1.7250 1.7626 1.7998 1.8644 2.0790 2.1635 2.2741 2.3334 2.3898 2.4792 2.6282 2.7473 2.8234 2.8513 3.0158 3.0412 3.2970 3.3669 3.6246 3.6634 3.9476 3.9691 4.2277 4.3112 4.3564 4.4312 5.1242 5.1424 5.4506 5.4644 8.6861 8.6976 8.8766 8.9257 9.0858 9.1102 9.6073 9.6305 9.9589 10.0027 k =-0.2903 0.3705 0.5889 ( 6778 PWs) bands (ev): -7.3644 -7.3635 -7.2403 -7.2385 -7.0489 -7.0474 -6.8608 -6.8563 -0.1774 -0.1484 0.0233 0.0458 1.1398 1.1483 1.2472 1.2555 1.3082 1.3523 1.5750 1.5840 1.6738 1.7207 1.7295 1.7647 1.7953 1.8605 2.0772 2.1698 2.2859 2.3407 2.4079 2.5042 2.6126 2.7411 2.8303 2.8488 3.0299 3.0504 3.3004 3.3718 3.5944 3.6292 3.9436 3.9619 4.2018 4.2896 4.3294 4.4101 5.1241 5.1423 5.4650 5.4783 8.6568 8.6683 8.8897 8.9403 9.1190 9.1403 9.5941 9.6148 9.9997 10.0477 k =-0.2994 0.3821 0.5741 ( 6780 PWs) bands (ev): -7.3667 -7.3659 -7.2407 -7.2388 -7.0502 -7.0487 -6.8569 -6.8523 -0.1792 -0.1501 0.0261 0.0480 1.1569 1.1619 1.2489 1.2614 1.2914 1.3373 1.5756 1.5837 1.6826 1.7175 1.7359 1.7690 1.7896 1.8567 2.0755 2.1748 2.2958 2.3454 2.4245 2.5255 2.5971 2.7344 2.8344 2.8479 3.0438 3.0607 3.3059 3.3773 3.5666 3.5971 3.9397 3.9560 4.1819 4.2729 4.3081 4.3937 5.1239 5.1421 5.4765 5.4894 8.6324 8.6433 8.9001 8.9509 9.1476 9.1659 9.5837 9.6018 10.0388 10.0916 k =-0.3085 0.3937 0.5593 ( 6782 PWs) bands (ev): -7.3683 -7.3676 -7.2411 -7.2391 -7.0511 -7.0497 -6.8541 -6.8494 -0.1805 -0.1514 0.0281 0.0496 1.1728 1.1747 1.2462 1.2659 1.2779 1.3248 1.5764 1.5830 1.6901 1.7137 1.7433 1.7737 1.7829 1.8534 2.0740 2.1784 2.3032 2.3483 2.4384 2.5425 2.5831 2.7281 2.8374 2.8469 3.0563 3.0697 3.3126 3.3825 3.5448 3.5687 3.9362 3.9517 4.1681 4.2610 4.2929 4.3820 5.1238 5.1420 5.4850 5.4974 8.6143 8.6244 8.9074 8.9581 9.1693 9.1851 9.5763 9.5921 10.0718 10.1299 k =-0.3176 0.4054 0.5446 ( 6788 PWs) bands (ev): -7.3693 -7.3686 -7.2413 -7.2392 -7.0517 -7.0502 -6.8524 -6.8477 -0.1813 -0.1522 0.0293 0.0506 1.1818 1.1893 1.2385 1.2667 1.2723 1.3163 1.5771 1.5822 1.6959 1.7101 1.7511 1.7741 1.7787 1.8512 2.0731 2.1806 2.3079 2.3497 2.4480 2.5548 2.5719 2.7236 2.8401 2.8452 3.0653 3.0754 3.3184 3.3864 3.5326 3.5466 3.9338 3.9492 4.1600 4.2538 4.2839 4.3750 5.1237 5.1418 5.4902 5.5024 8.6032 8.6127 8.9118 8.9622 9.1828 9.1969 9.5718 9.5860 10.0941 10.1568 k =-0.3267 0.4170 0.5298 ( 6790 PWs) bands (ev): -7.3696 -7.3689 -7.2413 -7.2393 -7.0519 -7.0504 -6.8518 -6.8471 -0.1815 -0.1524 0.0297 0.0509 1.1850 1.1969 1.2329 1.2654 1.2724 1.3132 1.5774 1.5819 1.6986 1.7080 1.7559 1.7700 1.7796 1.8503 2.0727 2.1813 2.3095 2.3501 2.4515 2.5634 2.5635 2.7220 2.8423 2.8433 3.0687 3.0773 3.3209 3.3877 3.5315 3.5354 3.9329 3.9484 4.1573 4.2513 4.2809 4.3727 5.1236 5.1418 5.4919 5.5040 8.5995 8.6087 8.9132 8.9636 9.1874 9.2009 9.5703 9.5840 10.1021 10.1666 k =-0.3267 0.4170 0.5298 ( 6790 PWs) bands (ev): -7.3696 -7.3689 -7.2413 -7.2393 -7.0519 -7.0504 -6.8518 -6.8471 -0.1815 -0.1524 0.0297 0.0509 1.1850 1.1969 1.2329 1.2654 1.2724 1.3132 1.5774 1.5819 1.6986 1.7080 1.7559 1.7700 1.7796 1.8503 2.0727 2.1813 2.3095 2.3501 2.4515 2.5634 2.5635 2.7220 2.8423 2.8433 3.0687 3.0773 3.3209 3.3877 3.5315 3.5354 3.9329 3.9484 4.1573 4.2513 4.2809 4.3727 5.1236 5.1418 5.4919 5.5040 8.5995 8.6087 8.9132 8.9636 9.1874 9.2009 9.5703 9.5840 10.1021 10.1666 k =-0.3174 0.4051 0.5146 ( 6788 PWs) bands (ev): -7.3792 -7.3785 -7.2283 -7.2263 -7.0572 -7.0557 -6.8488 -6.8439 -0.1865 -0.1578 0.0473 0.0694 1.1698 1.1839 1.2338 1.2706 1.2814 1.3203 1.5697 1.5796 1.6840 1.7030 1.7532 1.7603 1.7885 1.8477 2.0714 2.1701 2.3038 2.3567 2.4354 2.5423 2.5633 2.7153 2.8564 2.8691 3.0860 3.0937 3.3416 3.4122 3.5017 3.5124 3.8899 3.9016 4.1212 4.2281 4.2794 4.3801 5.1353 5.1542 5.5104 5.5223 8.6402 8.6489 8.9379 8.9877 9.1968 9.2083 9.6188 9.6300 10.1967 10.2598 k =-0.3081 0.3932 0.4995 ( 6796 PWs) bands (ev): -7.3909 -7.3904 -7.2150 -7.2128 -7.0605 -7.0588 -6.8456 -6.8406 -0.1922 -0.1641 0.0654 0.0883 1.1481 1.1660 1.2372 1.2762 1.2962 1.3333 1.5544 1.5785 1.6652 1.6965 1.7514 1.7581 1.7967 1.8472 2.0729 2.1617 2.2984 2.3632 2.4176 2.5207 2.5639 2.7090 2.8701 2.8948 3.1014 3.1077 3.3566 3.4309 3.4787 3.4966 3.8479 3.8548 4.0881 4.1986 4.2913 4.3919 5.1420 5.1616 5.5244 5.5364 8.6828 8.6909 8.9577 9.0060 9.2091 9.2183 9.6661 9.6754 10.2990 10.3601 k =-0.2987 0.3813 0.4844 ( 6788 PWs) bands (ev): -7.4048 -7.4043 -7.2013 -7.1991 -7.0617 -7.0599 -6.8424 -6.8373 -0.1986 -0.1713 0.0840 0.1077 1.1239 1.1460 1.2425 1.2813 1.3129 1.3503 1.5373 1.5719 1.6488 1.6887 1.7507 1.7604 1.8031 1.8479 2.0770 2.1563 2.2933 2.3695 2.3983 2.4989 2.5651 2.7036 2.8827 2.9191 3.1147 3.1194 3.3644 3.4321 3.4740 3.4894 3.8081 3.8090 4.0593 4.1719 4.3081 4.4078 5.1436 5.1636 5.5338 5.5464 8.7270 8.7344 8.9733 9.0194 9.2248 9.2316 9.7106 9.7183 10.4087 10.4673 k =-0.2894 0.3693 0.4692 ( 6796 PWs) bands (ev): -7.4206 -7.4201 -7.1873 -7.1850 -7.0610 -7.0592 -6.8392 -6.8340 -0.2057 -0.1794 0.1029 0.1275 1.0992 1.1253 1.2489 1.2855 1.3299 1.3698 1.5199 1.5582 1.6389 1.6792 1.7513 1.7650 1.8077 1.8496 2.0830 2.1541 2.2883 2.3756 2.3778 2.4770 2.5666 2.6990 2.8932 2.9407 3.1252 3.1283 3.3652 3.4174 3.4855 3.4901 3.7651 3.7717 4.0357 4.1493 4.3285 4.4272 5.1399 5.1602 5.5388 5.5527 8.7722 8.7791 8.9852 9.0289 9.2444 9.2486 9.7507 9.7572 10.5255 10.5811 k =-0.2801 0.3574 0.4541 ( 6794 PWs) bands (ev): -7.4380 -7.4376 -7.1731 -7.1707 -7.0586 -7.0566 -6.8358 -6.8306 -0.2135 -0.1883 0.1223 0.1478 1.0750 1.1049 1.2558 1.2885 1.3458 1.3902 1.5038 1.5392 1.6347 1.6681 1.7527 1.7711 1.8114 1.8526 2.0905 2.1551 2.2837 2.3561 2.3813 2.4554 2.5680 2.6953 2.9007 2.9583 3.1327 3.1344 3.3616 3.4016 3.4963 3.4983 3.7243 3.7405 4.0183 4.1314 4.3521 4.4501 5.1307 5.1511 5.5399 5.5556 8.8179 8.8246 8.9940 9.0354 9.2682 9.2696 9.7852 9.7907 10.6487 10.6993 k =-0.2707 0.3455 0.4390 ( 6790 PWs) bands (ev): -7.4569 -7.4565 -7.1587 -7.1563 -7.0546 -7.0526 -6.8325 -6.8272 -0.2220 -0.1980 0.1422 0.1686 1.0519 1.0855 1.2627 1.2903 1.3586 1.4102 1.4913 1.5183 1.6336 1.6557 1.7543 1.7781 1.8154 1.8575 2.0985 2.1588 2.2794 2.3336 2.3863 2.4346 2.5691 2.6925 2.9047 2.9706 3.1367 3.1372 3.3559 3.3876 3.5054 3.5084 3.6883 3.7164 4.0072 4.1184 4.3788 4.4762 5.1161 5.1363 5.5375 5.5555 8.8630 8.8701 9.0002 9.0400 9.2948 9.2964 9.8128 9.8177 10.6567 10.6690 k =-0.2614 0.3336 0.4238 ( 6784 PWs) bands (ev): -7.4769 -7.4765 -7.1441 -7.1417 -7.0494 -7.0474 -6.8291 -6.8238 -0.2312 -0.2085 0.1625 0.1898 1.0303 1.0674 1.2694 1.2907 1.3658 1.4277 1.4850 1.4985 1.6340 1.6423 1.7554 1.7849 1.8216 1.8649 2.1066 2.1647 2.2753 2.3104 2.3889 2.4167 2.5696 2.6904 2.9046 2.9766 3.1364 3.1366 3.3491 3.3755 3.5147 3.5153 3.6599 3.7016 4.0021 4.1100 4.4082 4.5053 5.0961 5.1160 5.5322 5.5533 8.9051 8.9139 9.0047 9.0446 9.3240 9.3289 9.8323 9.8371 10.5521 10.5636 k =-0.2521 0.3217 0.4087 ( 6790 PWs) bands (ev): -7.4977 -7.4974 -7.1294 -7.1270 -7.0431 -7.0410 -6.8257 -6.8204 -0.2410 -0.2196 0.1833 0.2115 1.0105 1.0509 1.2755 1.2896 1.3656 1.4377 1.4850 1.4867 1.6283 1.6348 1.7555 1.7904 1.8321 1.8751 2.1137 2.1721 2.2710 2.2872 2.3823 2.4085 2.5692 2.6892 2.9005 2.9758 3.1317 3.1323 3.3410 3.3647 3.5164 3.5225 3.6441 3.6985 4.0022 4.1057 4.4403 4.5373 5.0709 5.0902 5.5248 5.5495 8.9386 8.9494 9.0134 9.0539 9.3571 9.3655 9.8423 9.8478 10.4448 10.4555 k =-0.2427 0.3098 0.3935 ( 6786 PWs) bands (ev): -7.5191 -7.5188 -7.1147 -7.1122 -7.0360 -7.0339 -6.8223 -6.8170 -0.2515 -0.2315 0.2046 0.2338 0.9928 1.0364 1.2809 1.2869 1.3588 1.4324 1.4853 1.4956 1.6143 1.6359 1.7546 1.7944 1.8480 1.8883 2.1193 2.1807 2.2591 2.2717 2.3671 2.4103 2.5676 2.6884 2.8926 2.9684 3.1229 3.1241 3.3315 3.3547 3.5135 3.5216 3.6479 3.7082 4.0062 4.1044 4.4748 4.5719 5.0407 5.0593 5.5160 5.5449 8.9544 8.9608 9.0406 9.0758 9.3937 9.4058 9.8401 9.8478 10.3416 10.3498 k =-0.2334 0.2979 0.3784 ( 6782 PWs) bands (ev): -7.5409 -7.5406 -7.1000 -7.0975 -7.0282 -7.0260 -6.8190 -6.8136 -0.2626 -0.2440 0.2265 0.2566 0.9774 1.0239 1.2825 1.2849 1.3481 1.4170 1.4940 1.5089 1.6005 1.6369 1.7527 1.7978 1.8689 1.9041 2.1225 2.1897 2.2360 2.2678 2.3511 2.4146 2.5643 2.6881 2.8816 2.9549 3.1103 3.1121 3.3211 3.3453 3.5064 3.5119 3.6718 3.7302 4.0125 4.1053 4.5115 4.6090 5.0060 5.0237 5.5067 5.5405 8.9493 8.9497 9.0834 9.1121 9.4331 9.4493 9.8208 9.8330 10.2507 10.2537 k =-0.2241 0.2859 0.3633 ( 6782 PWs) bands (ev): -7.5629 -7.5626 -7.0853 -7.0829 -7.0198 -7.0177 -6.8156 -6.8103 -0.2742 -0.2570 0.2490 0.2801 0.9643 1.0138 1.2765 1.2872 1.3360 1.3995 1.5030 1.5243 1.5875 1.6379 1.7502 1.8013 1.8939 1.9222 2.1225 2.1960 2.2147 2.2654 2.3370 2.4196 2.5591 2.6878 2.8683 2.9362 3.0945 3.0969 3.3106 3.3370 3.4961 3.4984 3.7103 3.7629 4.0198 4.1072 4.5504 4.6483 4.9672 4.9837 5.4976 5.5369 8.9250 8.9277 9.1312 9.1567 9.4745 9.4953 9.7777 9.7967 10.1774 10.1823 k =-0.2147 0.2740 0.3481 ( 6774 PWs) bands (ev): -7.5849 -7.5847 -7.0708 -7.0683 -7.0110 -7.0089 -6.8123 -6.8070 -0.2863 -0.2705 0.2721 0.3042 0.9538 1.0061 1.2689 1.2869 1.3245 1.3822 1.5104 1.5399 1.5759 1.6388 1.7474 1.8053 1.9221 1.9417 2.1189 2.1809 2.2150 2.2635 2.3256 2.4249 2.5518 2.6874 2.8537 2.9132 3.0761 3.0791 3.3009 3.3304 3.4835 3.4849 3.7582 3.8045 4.0270 4.1092 4.5912 4.6895 4.9252 4.9399 5.4896 5.5348 8.8884 8.8927 9.1810 9.2049 9.5160 9.5427 9.7085 9.7337 10.1292 10.1426 k =-0.2054 0.2621 0.3330 ( 6774 PWs) bands (ev): -7.6068 -7.6066 -7.0564 -7.0539 -7.0020 -6.9999 -6.8090 -6.8038 -0.2989 -0.2844 0.2958 0.3289 0.9459 1.0010 1.2598 1.2831 1.3151 1.3656 1.5156 1.5518 1.5692 1.6395 1.7446 1.8099 1.9521 1.9617 2.1115 2.1562 2.2252 2.2621 2.3171 2.4306 2.5424 2.6865 2.8387 2.8872 3.0559 3.0590 3.2923 3.3260 3.4693 3.4730 3.8125 3.8531 4.0331 4.1106 4.6337 4.7314 4.8815 4.8931 5.4833 5.5349 8.8402 8.8455 9.2313 9.2542 9.5502 9.5891 9.6259 9.6493 10.1085 10.1282 k =-0.1960 0.2502 0.3179 ( 6778 PWs) bands (ev): -7.6284 -7.6282 -7.0422 -7.0398 -6.9928 -6.9907 -6.8058 -6.8007 -0.3118 -0.2986 0.3202 0.3543 0.9406 0.9984 1.2496 1.2757 1.3081 1.3502 1.5190 1.5497 1.5773 1.6400 1.7421 1.8150 1.9812 1.9824 2.1009 2.1306 2.2362 2.2621 2.3110 2.4366 2.5311 2.6845 2.8242 2.8597 3.0344 3.0371 3.2847 3.3236 3.4543 3.4638 3.8707 3.9071 4.0382 4.1109 4.6773 4.7681 4.8423 4.8441 5.4793 5.5376 8.7803 8.7863 9.2787 9.3004 9.5043 9.5494 9.6130 9.6393 10.1078 10.1317 k =-0.1867 0.2383 0.3027 ( 6778 PWs) bands (ev): -7.6496 -7.6494 -7.0283 -7.0259 -6.9836 -6.9815 -6.8026 -6.7977 -0.3250 -0.3130 0.3452 0.3805 0.9380 0.9986 1.2385 1.2662 1.3024 1.3358 1.5207 1.5427 1.5911 1.6403 1.7401 1.8206 1.9987 2.0106 2.0882 2.1054 2.2433 2.2679 2.3066 2.4428 2.5185 2.6813 2.8107 2.8324 3.0125 3.0138 3.2778 3.3230 3.4393 3.4579 3.9292 3.9643 4.0438 4.1106 4.7200 4.7628 4.7956 4.8451 5.4780 5.5431 8.7093 8.7160 9.3016 9.3243 9.4291 9.4709 9.6446 9.6804 10.1204 10.1472 k =-0.1774 0.2264 0.2876 ( 6770 PWs) bands (ev): -7.6704 -7.6702 -7.0147 -7.0123 -6.9743 -6.9723 -6.7995 -6.7947 -0.3384 -0.3276 0.3710 0.4073 0.9379 1.0013 1.2267 1.2561 1.2966 1.3226 1.5213 1.5364 1.6046 1.6404 1.7387 1.8264 2.0118 2.0331 2.0759 2.0825 2.2424 2.2844 2.3031 2.4491 2.5055 2.6762 2.7984 2.8070 2.9895 2.9909 3.2710 3.3229 3.4257 3.4558 3.9786 4.0205 4.0578 4.1122 4.7199 4.7290 4.7812 4.8865 5.4796 5.5516 8.6283 8.6355 9.2379 9.2698 9.4366 9.4692 9.6706 9.7135 10.1419 10.1711 k =-0.1680 0.2145 0.2725 ( 6778 PWs) bands (ev): -7.6905 -7.6903 -7.0014 -6.9992 -6.9651 -6.9632 -6.7966 -6.7919 -0.3519 -0.3421 0.3975 0.4348 0.9403 1.0066 1.2145 1.2464 1.2901 1.3105 1.5209 1.5314 1.6170 1.6401 1.7381 1.8318 2.0158 2.0375 2.0687 2.0724 2.2375 2.2995 2.3082 2.4545 2.4933 2.6694 2.7848 2.7873 2.9645 2.9703 3.2637 3.3213 3.4158 3.4578 4.0001 4.0606 4.0972 4.1295 4.6728 4.6835 4.8230 4.9341 5.4843 5.5631 8.5384 8.5461 9.1328 9.1684 9.4866 9.5161 9.6824 9.7311 10.1695 10.2007 k =-0.1587 0.2025 0.2573 ( 6774 PWs) bands (ev): -7.7100 -7.7098 -6.9886 -6.9864 -6.9561 -6.9542 -6.7937 -6.7891 -0.3654 -0.3566 0.4246 0.4630 0.9449 1.0143 1.2023 1.2375 1.2830 1.2996 1.5199 1.5277 1.6280 1.6396 1.7382 1.8363 2.0078 2.0191 2.0696 2.0785 2.2313 2.2950 2.3372 2.4583 2.4830 2.6614 2.7667 2.7772 2.9393 2.9518 3.2560 3.3158 3.4122 3.4639 4.0002 4.0682 4.1527 4.1763 4.6287 4.6364 4.8703 4.9835 5.4921 5.5772 8.4410 8.4491 9.0222 9.0589 9.5440 9.5744 9.6740 9.7245 10.2008 10.2332 k =-0.1494 0.1906 0.2422 ( 6774 PWs) bands (ev): -7.7287 -7.7285 -6.9762 -6.9741 -6.9473 -6.9454 -6.7909 -6.7865 -0.3788 -0.3709 0.4525 0.4918 0.9515 1.0242 1.1902 1.2297 1.2755 1.2900 1.5186 1.5252 1.6374 1.6389 1.7385 1.8389 1.9923 1.9964 2.0743 2.0814 2.2259 2.2892 2.3693 2.4593 2.4758 2.6533 2.7523 2.7679 2.9143 2.9365 3.2479 3.3054 3.4161 3.4737 3.9923 4.0616 4.2062 4.2299 4.5937 4.5966 4.9184 5.0333 5.5027 5.5938 8.3376 8.3460 8.9123 8.9492 9.5920 9.6374 9.6532 9.6885 10.2283 10.2289 k =-0.1400 0.1787 0.2270 ( 6778 PWs) bands (ev): -7.7466 -7.7464 -6.9644 -6.9623 -6.9387 -6.9370 -6.7882 -6.7840 -0.3920 -0.3849 0.4809 0.5212 0.9599 1.0359 1.1787 1.2230 1.2682 1.2818 1.5172 1.5237 1.6379 1.6452 1.7387 1.8384 1.9737 1.9744 2.0763 2.0788 2.2236 2.2817 2.4012 2.4568 2.4732 2.6459 2.7406 2.7588 2.8905 2.9258 3.2399 3.2913 3.4261 3.4869 3.9805 4.0503 4.2445 4.2719 4.5737 4.5773 4.9668 5.0828 5.5160 5.6124 8.2293 8.2380 8.8051 8.8417 9.5639 9.6265 9.6889 9.7035 10.2262 10.2410 k =-0.1307 0.1668 0.2119 ( 6778 PWs) bands (ev): -7.7636 -7.7635 -6.9531 -6.9511 -6.9305 -6.9288 -6.7857 -6.7817 -0.4049 -0.3985 0.5100 0.5510 0.9695 1.0488 1.1680 1.2173 1.2617 1.2754 1.5158 1.5231 1.6368 1.6517 1.7378 1.8335 1.9536 1.9551 2.0629 2.0818 2.2253 2.2724 2.4262 2.4511 2.4795 2.6390 2.7307 2.7498 2.8689 2.9210 3.2323 3.2756 3.4406 3.5028 3.9659 4.0365 4.2561 4.2874 4.5810 4.5906 5.0148 5.1315 5.5316 5.6324 8.1176 8.1265 8.7016 8.7376 9.4945 9.5486 9.7532 9.7715 10.2401 10.2606 k =-0.1214 0.1549 0.1968 ( 6774 PWs) bands (ev): -7.7796 -7.7795 -6.9423 -6.9405 -6.9226 -6.9210 -6.7832 -6.7795 -0.4173 -0.4117 0.5395 0.5812 0.9799 1.0621 1.1586 1.2121 1.2572 1.2711 1.5147 1.5231 1.6355 1.6571 1.7354 1.8227 1.9326 1.9396 2.0428 2.0832 2.2311 2.2616 2.4379 2.4430 2.4980 2.6315 2.7217 2.7405 2.8514 2.9227 3.2260 3.2597 3.4582 3.5207 3.9495 4.0207 4.2403 4.2728 4.6217 4.6339 5.0623 5.1788 5.5494 5.6535 8.0034 8.0126 8.6026 8.6376 9.4150 9.4631 9.8216 9.8410 10.2628 10.2878 k =-0.1120 0.1430 0.1816 ( 6770 PWs) bands (ev): -7.7947 -7.7946 -6.9322 -6.9305 -6.9151 -6.9136 -6.7810 -6.7774 -0.4292 -0.4242 0.5694 0.6116 0.9906 1.0743 1.1512 1.2069 1.2561 1.2697 1.5138 1.5236 1.6341 1.6618 1.7308 1.8059 1.9105 1.9278 2.0184 2.0830 2.2402 2.2501 2.4337 2.4416 2.5199 2.6226 2.7131 2.7307 2.8405 2.9304 3.2217 3.2450 3.4777 3.5401 3.9317 4.0035 4.2071 4.2396 4.6840 4.6971 5.1089 5.2242 5.5691 5.6751 7.8879 7.8972 8.5086 8.5424 9.3326 9.3756 9.8912 9.9113 10.2890 10.3173 k =-0.1027 0.1311 0.1665 ( 6758 PWs) bands (ev): -7.8087 -7.8086 -6.9228 -6.9213 -6.9080 -6.9067 -6.7788 -6.7755 -0.4406 -0.4361 0.5996 0.6420 1.0010 1.0834 1.1469 1.2010 1.2594 1.2722 1.5134 1.5244 1.6327 1.6660 1.7237 1.7843 1.8871 1.9184 1.9913 2.0807 2.2394 2.2517 2.4240 2.4431 2.5358 2.6123 2.7043 2.7202 2.8386 2.9429 3.2200 3.2322 3.4987 3.5604 3.9130 3.9851 4.1657 4.1984 4.7574 4.7710 5.1544 5.2670 5.5903 5.6967 7.7721 7.7815 8.4202 8.4525 9.2511 9.2895 9.9609 9.9816 10.3151 10.3455 k =-0.0934 0.1191 0.1514 ( 6746 PWs) bands (ev): -7.8216 -7.8215 -6.9142 -6.9128 -6.9014 -6.9002 -6.7768 -6.7738 -0.4512 -0.4473 0.6298 0.6722 1.0104 1.0876 1.1461 1.1945 1.2678 1.2798 1.5134 1.5254 1.6313 1.6697 1.7143 1.7595 1.8623 1.9097 1.9632 2.0749 2.2317 2.2652 2.4143 2.4440 2.5419 2.6014 2.6950 2.7090 2.8470 2.9580 3.2218 3.2220 3.5204 3.5808 3.8939 3.9655 4.1211 4.1546 4.8360 4.8502 5.1985 5.3068 5.6128 5.7177 7.6570 7.6664 8.3378 8.3683 9.1727 9.2069 10.0295 10.0509 10.3391 10.3702 k =-0.0840 0.1072 0.1362 ( 6740 PWs) bands (ev): -7.8335 -7.8334 -6.9062 -6.9050 -6.8952 -6.8942 -6.7750 -6.7722 -0.4610 -0.4576 0.6599 0.7018 1.0187 1.0870 1.1477 1.1876 1.2811 1.2932 1.5138 1.5266 1.6298 1.6732 1.7030 1.7329 1.8363 1.8996 1.9357 2.0638 2.2290 2.2800 2.4051 2.4450 2.5385 2.5907 2.6849 2.6968 2.8644 2.9734 3.2151 3.2276 3.5425 3.6009 3.8750 3.9448 4.0761 4.1110 4.9167 4.9316 5.2411 5.3433 5.6362 5.7376 7.5435 7.5530 8.2619 8.2903 9.0990 9.1293 10.0959 10.1178 10.3596 10.3901 k =-0.0747 0.0953 0.1211 ( 6726 PWs) bands (ev): -7.8441 -7.8440 -6.8991 -6.8981 -6.8895 -6.8887 -6.7733 -6.7708 -0.4700 -0.4671 0.6895 0.7304 1.0255 1.0835 1.1496 1.1809 1.2990 1.3125 1.5147 1.5277 1.6282 1.6761 1.6904 1.7060 1.8096 1.8844 1.9125 2.0464 2.2328 2.2955 2.3964 2.4463 2.5281 2.5810 2.6738 2.6838 2.8873 2.9872 3.2121 3.2378 3.5648 3.6200 3.8569 3.9231 4.0320 4.0692 4.9970 5.0131 5.2824 5.3761 5.6603 5.7561 7.4330 7.4423 8.1929 8.2190 9.0310 9.0576 10.1586 10.1805 10.3762 10.4049 k =-0.0653 0.0834 0.1060 ( 6717 PWs) bands (ev): -7.8536 -7.8535 -6.8928 -6.8920 -6.8844 -6.8837 -6.7718 -6.7696 -0.4781 -0.4756 0.7183 0.7576 1.0310 1.0787 1.1506 1.1744 1.3210 1.3371 1.5158 1.5287 1.6263 1.6745 1.6799 1.6804 1.7831 1.8611 1.8968 2.0232 2.2428 2.3110 2.3884 2.4482 2.5136 2.5727 2.6617 2.6702 2.9122 2.9981 3.2137 3.2518 3.5869 3.6374 3.8407 3.9005 3.9898 4.0302 5.0750 5.0927 5.3224 5.4053 5.6846 5.7726 7.3266 7.3357 8.1312 8.1546 8.9695 8.9927 10.2161 10.2371 10.3886 10.4148 k =-0.0560 0.0715 0.0908 ( 6705 PWs) bands (ev): -7.8618 -7.8617 -6.8874 -6.8868 -6.8798 -6.8793 -6.7705 -6.7686 -0.4852 -0.4831 0.7459 0.7827 1.0353 1.0737 1.1506 1.1686 1.3464 1.3658 1.5169 1.5295 1.6234 1.6563 1.6616 1.6797 1.7583 1.8337 1.8851 1.9959 2.2576 2.3254 2.3813 2.4509 2.4977 2.5660 2.6488 2.6562 2.9359 3.0060 3.2201 3.2683 3.6087 3.6525 3.8273 3.8769 3.9502 3.9945 5.1483 5.1682 5.3615 5.4312 5.7085 5.7869 7.2259 7.2346 8.0772 8.0977 8.9153 8.9350 10.2671 10.2856 10.3974 10.4208 k =-0.0467 0.0596 0.0757 ( 6701 PWs) bands (ev): -7.8688 -7.8688 -6.8828 -6.8825 -6.8757 -6.8755 -6.7693 -6.7677 -0.4913 -0.4895 0.7718 0.8051 1.0388 1.0688 1.1500 1.1634 1.3743 1.3973 1.5177 1.5300 1.6168 1.6385 1.6479 1.6757 1.7380 1.8056 1.8748 1.9663 2.2758 2.3378 2.3752 2.4541 2.4827 2.5607 2.6352 2.6423 2.9566 3.0109 3.2312 3.2854 3.6301 3.6650 3.8177 3.8526 3.9135 3.9626 5.2142 5.2367 5.4003 5.4546 5.7316 5.7985 7.1329 7.1410 8.0311 8.0486 8.8688 8.8852 10.3105 10.3247 10.4032 10.4244 k =-0.0373 0.0477 0.0605 ( 6691 PWs) bands (ev): -7.8746 -7.8745 -6.8792 -6.8790 -6.8724 -6.8722 -6.7683 -6.7670 -0.4963 -0.4949 0.7953 0.8241 1.0416 1.0643 1.1492 1.1589 1.4037 1.4307 1.5176 1.5305 1.6042 1.6294 1.6350 1.6641 1.7255 1.7789 1.8656 1.9365 2.2963 2.3472 2.3702 2.4519 2.4758 2.5564 2.6214 2.6288 2.9733 3.0135 3.2463 3.3009 3.6511 3.6752 3.8120 3.8279 3.8809 3.9346 5.2699 5.2946 5.4388 5.4767 5.7531 5.8074 7.0500 7.0572 7.9933 8.0076 8.8305 8.8435 10.3456 10.3540 10.4068 10.4266 k =-0.0280 0.0357 0.0454 ( 6693 PWs) bands (ev): -7.8791 -7.8791 -6.8764 -6.8762 -6.8697 -6.8696 -6.7675 -6.7666 -0.5002 -0.4991 0.8158 0.8388 1.0441 1.0603 1.1484 1.1552 1.4333 1.4648 1.5162 1.5314 1.5906 1.6237 1.6237 1.6450 1.7206 1.7555 1.8580 1.9086 2.3180 2.3535 2.3664 2.4387 2.4826 2.5522 2.6085 2.6164 2.9862 3.0142 3.2638 3.3125 3.6716 3.6841 3.8037 3.8074 3.8553 3.9104 5.3137 5.3383 5.4756 5.4984 5.7724 5.8132 6.9802 6.9862 7.9641 7.9749 8.8007 8.8105 10.3720 10.3739 10.4097 10.4285 k =-0.0187 0.0238 0.0303 ( 6703 PWs) bands (ev): -7.8823 -7.8823 -6.8744 -6.8743 -6.8677 -6.8677 -6.7669 -6.7662 -0.5029 -0.5022 0.8324 0.8486 1.0463 1.0568 1.1480 1.1523 1.4611 1.4981 1.5135 1.5338 1.5786 1.6134 1.6175 1.6226 1.7193 1.7375 1.8529 1.8847 2.3401 2.3571 2.3635 2.4217 2.4952 2.5464 2.5981 2.6058 2.9957 3.0134 3.2817 3.3184 3.6911 3.6934 3.7814 3.7963 3.8439 3.8896 5.3457 5.3657 5.5072 5.5189 5.7888 5.8158 6.9271 6.9314 7.9436 7.9509 8.7797 8.7862 10.3858 10.3883 10.4141 10.4301 k =-0.0093 0.0119 0.0151 ( 6703 PWs) bands (ev): -7.8842 -7.8842 -6.8732 -6.8732 -6.8666 -6.8666 -6.7665 -6.7661 -0.5045 -0.5042 0.8445 0.8529 1.0486 1.0537 1.1480 1.1501 1.4839 1.5069 1.5318 1.5399 1.5670 1.5930 1.6111 1.6117 1.7194 1.7263 1.8517 1.8669 2.3590 2.3611 2.3624 2.4030 2.5098 2.5373 2.5927 2.5977 3.0027 3.0112 3.2980 3.3177 3.7037 3.7072 3.7650 3.7781 3.8471 3.8719 5.3667 5.3779 5.5291 5.5337 5.8016 5.8149 6.8939 6.8961 7.9320 7.9356 8.7677 8.7709 10.3921 10.3945 10.4212 10.4302 k = 0.0000 0.0000 0.0000 ( 6685 PWs) bands (ev): -7.8849 -7.8849 -6.8728 -6.8728 -6.8662 -6.8662 -6.7662 -6.7662 -0.5049 -0.5049 0.8515 0.8515 1.0511 1.0511 1.1487 1.1487 1.4988 1.4988 1.5495 1.5495 1.5666 1.5666 1.6090 1.6090 1.7211 1.7211 1.8560 1.8560 2.3603 2.3603 2.3831 2.3831 2.5246 2.5246 2.5930 2.5930 3.0077 3.0077 3.3106 3.3106 3.7116 3.7116 3.7635 3.7635 3.8575 3.8575 5.3776 5.3776 5.5381 5.5381 5.8103 5.8103 6.8832 6.8832 7.9293 7.9293 8.7647 8.7647 10.3949 10.3949 10.4273 10.4273 k = 0.0000 0.0000 0.0000 ( 6685 PWs) bands (ev): -7.8849 -7.8849 -6.8728 -6.8728 -6.8662 -6.8662 -6.7662 -6.7662 -0.5049 -0.5049 0.8515 0.8515 1.0511 1.0511 1.1487 1.1487 1.4988 1.4988 1.5495 1.5495 1.5666 1.5666 1.6090 1.6090 1.7211 1.7211 1.8560 1.8560 2.3603 2.3603 2.3831 2.3831 2.5246 2.5246 2.5930 2.5930 3.0077 3.0077 3.3106 3.3106 3.7116 3.7116 3.7635 3.7635 3.8575 3.8575 5.3776 5.3776 5.5381 5.5381 5.8103 5.8103 6.8832 6.8832 7.9293 7.9293 8.7647 8.7647 10.3949 10.3949 10.4273 10.4273 k = 0.0167 0.0131 0.0000 ( 6697 PWs) bands (ev): -7.8842 -7.8842 -6.8728 -6.8728 -6.8662 -6.8662 -6.7671 -6.7671 -0.5046 -0.5046 0.8447 0.8447 1.0544 1.0544 1.1515 1.1515 1.4981 1.4981 1.5481 1.5481 1.5659 1.5659 1.6108 1.6108 1.7222 1.7222 1.8583 1.8583 2.3578 2.3578 2.3846 2.3846 2.5241 2.5241 2.5929 2.5929 3.0081 3.0081 3.3099 3.3099 3.7136 3.7136 3.7657 3.7657 3.8595 3.8595 5.3755 5.3755 5.5360 5.5360 5.8000 5.8000 6.8961 6.8961 7.9312 7.9312 8.7661 8.7661 10.3873 10.3873 10.4180 10.4180 k = 0.0333 0.0261 0.0000 ( 6705 PWs) bands (ev): -7.8823 -7.8823 -6.8729 -6.8729 -6.8663 -6.8663 -6.7698 -6.7698 -0.5037 -0.5037 0.8260 0.8260 1.0631 1.0631 1.1595 1.1595 1.4961 1.4961 1.5443 1.5443 1.5640 1.5640 1.6158 1.6158 1.7257 1.7257 1.8652 1.8652 2.3519 2.3519 2.3880 2.3880 2.5228 2.5228 2.5928 2.5928 3.0091 3.0091 3.3077 3.3077 3.7193 3.7193 3.7722 3.7722 3.8654 3.8654 5.3693 5.3693 5.5295 5.5295 5.7707 5.7707 6.9333 6.9333 7.9369 7.9369 8.7702 8.7702 10.3644 10.3644 10.3906 10.3906 k = 0.0500 0.0392 0.0000 ( 6738 PWs) bands (ev): -7.8790 -7.8790 -6.8731 -6.8731 -6.8665 -6.8665 -6.7744 -6.7744 -0.5022 -0.5022 0.7987 0.7987 1.0748 1.0748 1.1718 1.1718 1.4930 1.4930 1.5387 1.5387 1.5613 1.5613 1.6230 1.6230 1.7311 1.7311 1.8766 1.8766 2.3443 2.3443 2.3917 2.3917 2.5207 2.5207 2.5927 2.5927 3.0106 3.0106 3.3039 3.3039 3.7288 3.7288 3.7829 3.7829 3.8751 3.8751 5.3588 5.3588 5.5189 5.5189 5.7260 5.7260 6.9912 6.9912 7.9462 7.9462 8.7771 8.7771 10.3266 10.3266 10.3467 10.3467 k = 0.0667 0.0522 0.0000 ( 6730 PWs) bands (ev): -7.8744 -7.8744 -6.8733 -6.8733 -6.8668 -6.8668 -6.7807 -6.7807 -0.5000 -0.5000 0.7657 0.7657 1.0879 1.0879 1.1872 1.1872 1.4891 1.4891 1.5319 1.5319 1.5579 1.5579 1.6314 1.6314 1.7382 1.7382 1.8926 1.8926 2.3360 2.3360 2.3951 2.3951 2.5180 2.5180 2.5925 2.5925 3.0127 3.0127 3.2987 3.2987 3.7420 3.7420 3.7976 3.7976 3.8886 3.8886 5.3444 5.3444 5.5043 5.5043 5.6702 5.6702 7.0654 7.0654 7.9594 7.9594 8.7867 8.7867 10.2742 10.2742 10.2884 10.2884 k = 0.0833 0.0653 0.0000 ( 6722 PWs) bands (ev): -7.8685 -7.8685 -6.8735 -6.8735 -6.8671 -6.8671 -6.7888 -6.7888 -0.4971 -0.4971 0.7291 0.7291 1.1016 1.1016 1.2042 1.2042 1.4844 1.4844 1.5244 1.5244 1.5542 1.5542 1.6403 1.6403 1.7467 1.7467 1.9129 1.9129 2.3276 2.3276 2.3983 2.3983 2.5149 2.5149 2.5923 2.5923 3.0152 3.0152 3.2919 3.2919 3.7587 3.7587 3.8161 3.8161 3.9056 3.9056 5.3258 5.3258 5.4857 5.4857 5.6074 5.6074 7.1521 7.1521 7.9762 7.9762 8.7990 8.7990 10.2084 10.2084 10.2182 10.2182 k = 0.1000 0.0784 0.0000 ( 6734 PWs) bands (ev): -7.8614 -7.8614 -6.8738 -6.8738 -6.8675 -6.8675 -6.7986 -6.7986 -0.4936 -0.4936 0.6902 0.6902 1.1156 1.1156 1.2221 1.2221 1.4792 1.4792 1.5164 1.5164 1.5505 1.5505 1.6492 1.6492 1.7560 1.7560 1.9372 1.9372 2.3196 2.3196 2.4013 2.4013 2.5115 2.5115 2.5921 2.5921 3.0177 3.0177 3.2835 3.2835 3.7787 3.7787 3.8378 3.8378 3.9259 3.9259 5.3033 5.3033 5.4635 5.4635 5.5407 5.5407 7.2481 7.2481 7.9966 7.9966 8.8139 8.8139 10.1305 10.1305 10.1387 10.1387 k = 0.1167 0.0914 0.0000 ( 6738 PWs) bands (ev): -7.8529 -7.8529 -6.8742 -6.8742 -6.8680 -6.8680 -6.8101 -6.8101 -0.4894 -0.4894 0.6499 0.6499 1.1296 1.1296 1.2403 1.2403 1.4736 1.4736 1.5081 1.5081 1.5469 1.5469 1.6575 1.6575 1.7657 1.7657 1.9653 1.9653 2.3125 2.3125 2.4045 2.4045 2.5082 2.5082 2.5918 2.5918 3.0202 3.0202 3.2735 3.2735 3.8017 3.8017 3.8625 3.8625 3.9493 3.9493 5.2767 5.2767 5.4379 5.4379 5.4729 5.4729 7.3512 7.3512 8.0206 8.0206 8.8315 8.8315 10.0428 10.0428 10.0518 10.0518 k = 0.1333 0.1045 0.0000 ( 6734 PWs) bands (ev): -7.8432 -7.8432 -6.8746 -6.8746 -6.8685 -6.8685 -6.8232 -6.8232 -0.4845 -0.4845 0.6087 0.6087 1.1429 1.1429 1.2588 1.2588 1.4679 1.4679 1.5001 1.5001 1.5437 1.5437 1.6649 1.6649 1.7755 1.7755 1.9966 1.9966 2.3067 2.3067 2.4083 2.4083 2.5052 2.5052 2.5917 2.5917 3.0225 3.0225 3.2616 3.2616 3.8274 3.8274 3.8898 3.8898 3.9753 3.9753 5.2460 5.2460 5.4047 5.4047 5.4105 5.4105 7.4594 7.4594 8.0481 8.0481 8.8518 8.8518 9.9481 9.9481 9.9585 9.9585 k = 0.1500 0.1175 0.0000 ( 6730 PWs) bands (ev): -7.8323 -7.8323 -6.8750 -6.8750 -6.8691 -6.8691 -6.8378 -6.8378 -0.4788 -0.4788 0.5672 0.5672 1.1550 1.1550 1.2774 1.2774 1.4623 1.4623 1.4927 1.4927 1.5409 1.5409 1.6712 1.6712 1.7849 1.7849 2.0306 2.0306 2.3025 2.3025 2.4128 2.4128 2.5026 2.5026 2.5917 2.5917 3.0245 3.0245 3.2480 3.2480 3.8556 3.8556 3.9194 3.9194 4.0037 4.0037 5.2107 5.2107 5.3412 5.3412 5.3783 5.3783 7.5716 7.5716 8.0789 8.0789 8.8745 8.8745 9.8485 9.8485 9.8604 9.8604 k = 0.1667 0.1306 0.0000 ( 6738 PWs) bands (ev): -7.8201 -7.8201 -6.8755 -6.8755 -6.8697 -6.8697 -6.8540 -6.8540 -0.4723 -0.4723 0.5256 0.5256 1.1654 1.1654 1.2956 1.2956 1.4576 1.4576 1.4865 1.4865 1.5386 1.5386 1.6760 1.6760 1.7936 1.7936 2.0666 2.0666 2.3003 2.3003 2.4185 2.4185 2.5008 2.5008 2.5920 2.5920 3.0261 3.0261 3.2325 3.2325 3.8858 3.8858 3.9507 3.9507 4.0341 4.0341 5.1704 5.1704 5.2813 5.2813 5.3446 5.3446 7.6866 7.6866 8.1130 8.1130 8.8997 8.8997 9.7458 9.7458 9.7587 9.7587 k = 0.1833 0.1436 0.0000 ( 6762 PWs) bands (ev): -7.8068 -7.8068 -6.8765 -6.8765 -6.8716 -6.8716 -6.8699 -6.8699 -0.4650 -0.4650 0.4842 0.4842 1.1738 1.1738 1.3118 1.3118 1.4553 1.4553 1.4820 1.4820 1.5368 1.5368 1.6794 1.6794 1.8012 1.8012 2.1038 2.1038 2.3003 2.3003 2.4256 2.4256 2.4999 2.4999 2.5926 2.5926 3.0270 3.0270 3.2150 3.2150 3.9176 3.9176 3.9835 3.9835 4.0660 4.0660 5.1252 5.1252 5.2269 5.2269 5.3091 5.3091 7.8036 7.8036 8.1501 8.1501 8.9273 8.9273 9.6413 9.6413 9.6550 9.6550 k = 0.2000 0.1567 0.0000 ( 6774 PWs) bands (ev): -7.7922 -7.7922 -6.8911 -6.8911 -6.8762 -6.8762 -6.8710 -6.8710 -0.4569 -0.4569 0.4431 0.4431 1.1801 1.1801 1.3237 1.3237 1.4571 1.4571 1.4803 1.4803 1.5355 1.5355 1.6812 1.6812 1.8076 1.8076 2.1416 2.1416 2.3026 2.3026 2.4342 2.4342 2.5002 2.5002 2.5939 2.5939 3.0271 3.0271 3.1957 3.1957 3.9508 3.9508 4.0173 4.0173 4.0991 4.0991 5.0762 5.0762 5.1777 5.1777 5.2721 5.2721 7.9216 7.9216 8.1901 8.1901 8.9571 8.9571 9.5360 9.5360 9.5504 9.5504 k = 0.2167 0.1698 0.0000 ( 6806 PWs) bands (ev): -7.7765 -7.7765 -6.9113 -6.9113 -6.8768 -6.8768 -6.8717 -6.8717 -0.4479 -0.4479 0.4026 0.4026 1.1844 1.1844 1.3287 1.3287 1.4613 1.4613 1.4855 1.4855 1.5349 1.5349 1.6815 1.6815 1.8126 1.8126 2.1791 2.1791 2.3071 2.3071 2.4444 2.4444 2.5020 2.5020 2.5962 2.5962 3.0262 3.0262 3.1745 3.1745 3.9847 3.9847 4.0518 4.0518 4.1330 4.1330 5.0257 5.0257 5.1325 5.1325 5.2342 5.2342 8.0400 8.0400 8.2327 8.2327 8.9889 8.9889 9.4310 9.4310 9.4460 9.4460 k = 0.2333 0.1828 0.0000 ( 6794 PWs) bands (ev): -7.7597 -7.7597 -6.9327 -6.9327 -6.8773 -6.8773 -6.8725 -6.8725 -0.4380 -0.4380 0.3626 0.3626 1.1871 1.1871 1.3268 1.3268 1.4630 1.4630 1.5024 1.5024 1.5349 1.5349 1.6804 1.6804 1.8164 1.8164 2.2156 2.2156 2.3136 2.3136 2.4561 2.4561 2.5055 2.5055 2.5997 2.5997 3.0242 3.0242 3.1517 3.1517 4.0190 4.0190 4.0866 4.0866 4.1672 4.1672 4.9756 4.9756 5.0900 5.0900 5.1958 5.1958 8.1579 8.1579 8.2777 8.2777 9.0225 9.0225 9.3271 9.3271 9.3428 9.3428 k = 0.2500 0.1959 0.0000 ( 6794 PWs) bands (ev): -7.7418 -7.7418 -6.9554 -6.9554 -6.8779 -6.8779 -6.8733 -6.8733 -0.4273 -0.4273 0.3234 0.3234 1.1883 1.1883 1.3197 1.3197 1.4631 1.4631 1.5264 1.5264 1.5372 1.5372 1.6779 1.6779 1.8193 1.8193 2.2503 2.2503 2.3219 2.3219 2.4689 2.4689 2.5108 2.5108 2.6052 2.6052 3.0203 3.0203 3.1278 3.1278 4.0531 4.0531 4.1212 4.1212 4.2013 4.2013 4.9276 4.9276 5.0494 5.0494 5.1575 5.1575 8.2743 8.2743 8.3249 8.3249 9.0573 9.0573 9.2252 9.2252 9.2418 9.2418 k = 0.2667 0.2089 0.0000 ( 6798 PWs) bands (ev): -7.7229 -7.7229 -6.9791 -6.9791 -6.8784 -6.8784 -6.8740 -6.8740 -0.4156 -0.4156 0.2850 0.2850 1.1883 1.1883 1.3095 1.3095 1.4631 1.4631 1.5343 1.5343 1.5608 1.5608 1.6743 1.6743 1.8218 1.8218 2.2824 2.2824 2.3315 2.3315 2.4827 2.4827 2.5179 2.5179 2.6132 2.6132 3.0136 3.0136 3.1038 3.1038 4.0866 4.0866 4.1552 4.1552 4.2349 4.2349 4.8824 4.8824 5.0106 5.0106 5.1198 5.1198 8.3702 8.3702 8.3917 8.3917 9.0901 9.0901 9.1261 9.1261 9.1465 9.1465 k = 0.2833 0.2220 0.0000 ( 6778 PWs) bands (ev): -7.7029 -7.7029 -7.0038 -7.0038 -6.8789 -6.8789 -6.8748 -6.8748 -0.4031 -0.4031 0.2474 0.2474 1.1874 1.1874 1.2976 1.2976 1.4636 1.4636 1.5359 1.5359 1.5927 1.5927 1.6697 1.6697 1.8252 1.8252 2.3112 2.3112 2.3421 2.3421 2.4969 2.4969 2.5269 2.5269 2.6243 2.6243 3.0024 3.0024 3.0814 3.0814 4.1190 4.1190 4.1881 4.1881 4.2674 4.2674 4.8405 4.8405 4.9739 4.9739 5.0834 5.0834 8.4207 8.4207 8.5014 8.5014 9.0301 9.0301 9.0426 9.0426 9.1362 9.1362 k = 0.3000 0.2351 0.0000 ( 6794 PWs) bands (ev): -7.6819 -7.6819 -7.0293 -7.0293 -6.8794 -6.8794 -6.8755 -6.8755 -0.3896 -0.3896 0.2107 0.2107 1.1858 1.1858 1.2849 1.2849 1.4646 1.4646 1.5374 1.5374 1.6239 1.6239 1.6646 1.6646 1.8308 1.8308 2.3359 2.3359 2.3531 2.3531 2.5115 2.5115 2.5373 2.5373 2.6389 2.6389 2.9845 2.9845 3.0631 3.0631 4.1498 4.1498 4.2193 4.2193 4.2986 4.2986 4.8022 4.8022 4.9397 4.9397 5.0488 5.0488 8.4701 8.4701 8.6071 8.6071 8.9384 8.9384 8.9528 8.9528 9.1726 9.1726 k = 0.3167 0.2481 0.0000 ( 6786 PWs) bands (ev): -7.6600 -7.6600 -7.0556 -7.0556 -6.8798 -6.8798 -6.8763 -6.8763 -0.3752 -0.3752 0.1749 0.1749 1.1838 1.1838 1.2719 1.2719 1.4663 1.4663 1.5392 1.5392 1.6489 1.6489 1.6614 1.6614 1.8414 1.8414 2.3549 2.3549 2.3656 2.3656 2.5264 2.5264 2.5490 2.5490 2.6567 2.6567 2.9595 2.9595 3.0495 3.0495 4.1784 4.1784 4.2482 4.2482 4.3278 4.3278 4.7674 4.7674 4.9087 4.9087 5.0166 5.0166 8.5187 8.5187 8.7043 8.7043 8.8516 8.8516 8.8674 8.8674 9.2101 9.2101 k = 0.3333 0.2612 0.0000 ( 6778 PWs) bands (ev): -7.6372 -7.6372 -7.0826 -7.0826 -6.8803 -6.8803 -6.8770 -6.8770 -0.3598 -0.3598 0.1401 0.1401 1.1815 1.1815 1.2592 1.2592 1.4686 1.4686 1.5411 1.5411 1.6501 1.6501 1.6751 1.6751 1.8594 1.8594 2.3669 2.3669 2.3803 2.3803 2.5416 2.5416 2.5619 2.5619 2.6767 2.6767 2.9294 2.9294 3.0391 3.0391 4.2043 4.2043 4.2743 4.2743 4.3550 4.3550 4.7360 4.7360 4.8817 4.8817 4.9873 4.9873 8.5655 8.5655 8.7581 8.7581 8.7744 8.7744 8.8150 8.8150 9.2471 9.2471 k = 0.3500 0.2742 0.0000 ( 6790 PWs) bands (ev): -7.6135 -7.6135 -7.1102 -7.1102 -6.8807 -6.8807 -6.8777 -6.8777 -0.3436 -0.3436 0.1062 0.1062 1.1791 1.1791 1.2469 1.2469 1.4715 1.4715 1.5430 1.5430 1.6445 1.6445 1.6874 1.6874 1.8862 1.8862 2.3743 2.3743 2.3945 2.3945 2.5570 2.5570 2.5759 2.5759 2.6974 2.6974 2.8968 2.8968 3.0302 3.0302 4.2272 4.2272 4.2966 4.2966 4.3798 4.3798 4.7077 4.7077 4.8596 4.8596 4.9613 4.9613 8.6088 8.6088 8.6907 8.6907 8.7039 8.7039 8.8712 8.8712 9.2253 9.2253 k = 0.3667 0.2873 0.0000 ( 6798 PWs) bands (ev): -7.5890 -7.5890 -7.1384 -7.1384 -6.8810 -6.8810 -6.8783 -6.8783 -0.3264 -0.3264 0.0732 0.0732 1.1768 1.1768 1.2352 1.2352 1.4750 1.4750 1.5445 1.5445 1.6390 1.6390 1.6927 1.6927 1.9208 1.9208 2.3784 2.3784 2.4072 2.4072 2.5724 2.5724 2.5906 2.5906 2.7160 2.7160 2.8651 2.8651 3.0218 3.0218 4.2468 4.2468 4.3146 4.3146 4.4024 4.4024 4.6823 4.6823 4.8428 4.8428 4.9390 4.9390 8.6191 8.6191 8.6271 8.6271 8.6587 8.6587 8.9125 8.9125 9.2241 9.2241 k = 0.3833 0.3004 0.0000 ( 6806 PWs) bands (ev): -7.5638 -7.5638 -7.1669 -7.1669 -6.8813 -6.8813 -6.8789 -6.8789 -0.3083 -0.3083 0.0412 0.0412 1.1747 1.1747 1.2243 1.2243 1.4791 1.4791 1.5454 1.5454 1.6343 1.6343 1.6927 1.6927 1.9610 1.9610 2.3790 2.3790 2.4191 2.4191 2.5872 2.5872 2.6055 2.6055 2.7269 2.7269 2.8402 2.8402 3.0131 3.0131 4.2629 4.2629 4.3274 4.3274 4.4232 4.4232 4.6594 4.6594 4.8316 4.8316 4.9203 4.9203 8.5574 8.5574 8.5672 8.5672 8.6892 8.6892 8.9237 8.9237 9.2518 9.2518 k = 0.4000 0.3134 0.0000 ( 6806 PWs) bands (ev): -7.5379 -7.5379 -7.1958 -7.1958 -6.8815 -6.8815 -6.8795 -6.8795 -0.2893 -0.2893 0.0102 0.0102 1.1729 1.1729 1.2144 1.2144 1.4838 1.4838 1.5453 1.5453 1.6309 1.6309 1.6892 1.6892 2.0046 2.0046 2.3759 2.3759 2.4308 2.4308 2.6005 2.6005 2.6200 2.6200 2.7216 2.7216 2.8314 2.8314 3.0039 3.0039 4.2759 4.2759 4.3351 4.3351 4.4427 4.4427 4.6388 4.6388 4.8259 4.8259 4.9051 4.9051 8.5017 8.5017 8.5109 8.5109 8.7189 8.7189 8.9141 8.9141 9.2974 9.2974 k = 0.4167 0.3265 0.0000 ( 6806 PWs) bands (ev): -7.5113 -7.5113 -7.2249 -7.2249 -6.8817 -6.8817 -6.8800 -6.8800 -0.2694 -0.2694 -0.0199 -0.0199 1.1717 1.1717 1.2054 1.2054 1.4890 1.4890 1.5440 1.5440 1.6293 1.6293 1.6837 1.6837 2.0499 2.0499 2.3688 2.3688 2.4428 2.4428 2.6108 2.6108 2.6334 2.6334 2.7008 2.7008 2.8394 2.8394 2.9939 2.9939 4.2860 4.2860 4.3379 4.3379 4.4611 4.4611 4.6200 4.6200 4.8249 4.8249 4.8928 4.8928 8.4537 8.4537 8.4619 8.4619 8.7432 8.7432 8.8956 8.8956 9.3479 9.3479 k = 0.4333 0.3395 0.0000 ( 6794 PWs) bands (ev): -7.4842 -7.4842 -7.2541 -7.2541 -6.8818 -6.8818 -6.8805 -6.8805 -0.2486 -0.2486 -0.0490 -0.0490 1.1710 1.1710 1.1975 1.1975 1.4946 1.4946 1.5413 1.5413 1.6297 1.6297 1.6769 1.6769 2.0958 2.0958 2.3575 2.3575 2.4556 2.4556 2.6135 2.6135 2.6451 2.6451 2.6779 2.6779 2.8555 2.8555 2.9829 2.9829 4.2939 4.2939 4.3368 4.3368 4.4787 4.4787 4.6028 4.6028 4.8275 4.8275 4.8828 4.8828 8.4140 8.4140 8.4208 8.4208 8.7623 8.7623 8.8751 8.8751 9.3952 9.3952 k = 0.4500 0.3526 0.0000 ( 6794 PWs) bands (ev): -7.4565 -7.4565 -7.2835 -7.2835 -6.8819 -6.8819 -6.8809 -6.8809 -0.2268 -0.2268 -0.0772 -0.0772 1.1711 1.1711 1.1906 1.1906 1.5006 1.5006 1.5372 1.5372 1.6319 1.6319 1.6695 1.6695 2.1411 2.1411 2.3417 2.3417 2.4697 2.4697 2.6010 2.6010 2.6547 2.6547 2.6664 2.6664 2.8739 2.8739 2.9708 2.9708 4.3002 4.3002 4.3331 4.3331 4.4955 4.4955 4.5867 4.5867 4.8325 4.8325 4.8745 4.8745 8.3829 8.3829 8.3881 8.3881 8.7771 8.7771 8.8556 8.8556 9.4351 9.4351 k = 0.4667 0.3657 0.0000 ( 6802 PWs) bands (ev): -7.4284 -7.4284 -7.3128 -7.3128 -6.8819 -6.8819 -6.8812 -6.8812 -0.2042 -0.2042 -0.1044 -0.1044 1.1719 1.1719 1.1848 1.1848 1.5069 1.5069 1.5320 1.5320 1.6358 1.6358 1.6619 1.6619 2.1847 2.1847 2.3207 2.3207 2.4857 2.4857 2.5766 2.5766 2.6618 2.6618 2.6657 2.6657 2.8925 2.8925 2.9575 2.9575 4.3058 4.3058 4.3280 4.3280 4.5115 4.5115 4.5715 4.5715 4.8389 4.8389 4.8671 4.8671 8.3607 8.3607 8.3643 8.3643 8.7892 8.7892 8.8383 8.8383 9.4652 9.4652 k = 0.4833 0.3787 0.0000 ( 6802 PWs) bands (ev): -7.3999 -7.3999 -7.3420 -7.3420 -6.8818 -6.8818 -6.8815 -6.8815 -0.1806 -0.1806 -0.1307 -0.1307 1.1737 1.1737 1.1801 1.1801 1.5133 1.5133 1.5261 1.5261 1.6411 1.6411 1.6545 1.6545 2.2255 2.2255 2.2942 2.2942 2.5041 2.5041 2.5501 2.5501 2.6662 2.6662 2.6675 2.6675 2.9105 2.9105 2.9431 2.9431 4.3111 4.3111 4.3222 4.3222 4.5270 4.5270 4.5567 4.5567 4.8460 4.8460 4.8601 4.8601 8.3476 8.3476 8.3495 8.3495 8.8000 8.8000 8.8236 8.8236 9.4845 9.4845 k = 0.5000 0.3918 0.0000 ( 6782 PWs) bands (ev): -7.3711 -7.3711 -7.3711 -7.3711 -6.8817 -6.8817 -6.8817 -6.8817 -0.1561 -0.1561 -0.1561 -0.1561 1.1764 1.1764 1.1764 1.1764 1.5198 1.5198 1.5198 1.5198 1.6474 1.6474 1.6474 1.6474 2.2623 2.2623 2.2623 2.2623 2.5256 2.5256 2.5256 2.5256 2.6680 2.6680 2.6680 2.6680 2.9274 2.9274 2.9274 2.9274 4.3165 4.3165 4.3165 4.3165 4.5419 4.5419 4.5419 4.5419 4.8531 4.8531 4.8531 4.8531 8.3439 8.3439 8.3439 8.3439 8.8111 8.8111 8.8111 8.8111 9.4926 9.4926 k = 0.5000 0.3918 0.0000 ( 6782 PWs) bands (ev): -7.3711 -7.3711 -7.3711 -7.3711 -6.8817 -6.8817 -6.8817 -6.8817 -0.1561 -0.1561 -0.1561 -0.1561 1.1764 1.1764 1.1764 1.1764 1.5198 1.5198 1.5198 1.5198 1.6474 1.6474 1.6474 1.6474 2.2623 2.2623 2.2623 2.2623 2.5256 2.5256 2.5256 2.5256 2.6680 2.6680 2.6680 2.6680 2.9274 2.9274 2.9274 2.9274 4.3165 4.3165 4.3165 4.3165 4.5419 4.5419 4.5419 4.5419 4.8531 4.8531 4.8531 4.8531 8.3439 8.3439 8.3439 8.3439 8.8111 8.8111 8.8111 8.8111 9.4926 9.4926 k = 0.4909 0.4034 0.0148 ( 6792 PWs) bands (ev): -7.3709 -7.3709 -7.3707 -7.3706 -6.8825 -6.8824 -6.8817 -6.8814 -0.1573 -0.1561 -0.1549 -0.1547 1.1735 1.1755 1.1767 1.1796 1.5170 1.5176 1.5227 1.5232 1.6392 1.6464 1.6487 1.6551 2.2533 2.2610 2.2635 2.2698 2.4990 2.5105 2.5379 2.5418 2.6500 2.6679 2.6747 2.6928 2.9215 2.9227 2.9299 2.9342 4.3037 4.3086 4.3160 4.3174 4.5258 4.5434 4.5521 4.5555 4.8490 4.8515 4.8520 4.8665 8.3411 8.3440 8.3453 8.3467 8.8136 8.8151 8.8152 8.8187 9.4925 9.4930 k = 0.4818 0.4150 0.0296 ( 6802 PWs) bands (ev): -7.3704 -7.3702 -7.3696 -7.3694 -6.8848 -6.8846 -6.8816 -6.8810 -0.1582 -0.1548 -0.1532 -0.1521 1.1709 1.1742 1.1765 1.1832 1.5147 1.5157 1.5263 1.5271 1.6303 1.6456 1.6506 1.6625 2.2429 2.2596 2.2642 2.2753 2.4663 2.4916 2.5462 2.5487 2.6396 2.6714 2.6900 2.7211 2.9127 2.9204 2.9292 2.9431 4.2749 4.2837 4.3150 4.3182 4.5048 4.5411 4.5759 4.5768 4.8412 4.8451 4.8623 4.8891 8.3365 8.3423 8.3503 8.3535 8.8230 8.8257 8.8305 8.8373 9.4935 9.4942 k = 0.4726 0.4267 0.0444 ( 6806 PWs) bands (ev): -7.3695 -7.3693 -7.3677 -7.3673 -6.8885 -6.8884 -6.8812 -6.8803 -0.1590 -0.1521 -0.1515 -0.1482 1.1688 1.1725 1.1760 1.1871 1.5128 1.5139 1.5304 1.5314 1.6210 1.6447 1.6531 1.6698 2.2313 2.2583 2.2636 2.2787 2.4307 2.4691 2.5436 2.5590 2.6341 2.6771 2.7121 2.7502 2.9014 2.9207 2.9256 2.9544 4.2364 4.2479 4.3133 4.3186 4.4807 4.5304 4.6051 4.6080 4.8288 4.8337 4.8841 4.9184 8.3312 8.3392 8.3594 8.3644 8.8389 8.8426 8.8558 8.8654 9.4955 9.4961 k = 0.4635 0.4383 0.0591 ( 6800 PWs) bands (ev): -7.3683 -7.3679 -7.3650 -7.3645 -6.8937 -6.8935 -6.8807 -6.8795 -0.1596 -0.1496 -0.1482 -0.1430 1.1671 1.1705 1.1752 1.1912 1.5113 1.5115 1.5347 1.5363 1.6117 1.6439 1.6563 1.6773 2.2183 2.2568 2.2598 2.2799 2.3943 2.4456 2.5391 2.5693 2.6306 2.6838 2.7372 2.7778 2.8882 2.9179 2.9261 2.9682 4.1924 4.2058 4.3104 4.3183 4.4553 4.5138 4.6356 4.6440 4.8131 4.8177 4.9144 4.9525 8.3265 8.3360 8.3727 8.3796 8.8609 8.8653 8.8894 8.9013 9.4988 9.4990 k = 0.4544 0.4500 0.0739 ( 6792 PWs) bands (ev): -7.3667 -7.3663 -7.3615 -7.3609 -6.9003 -6.9000 -6.8800 -6.8785 -0.1600 -0.1477 -0.1431 -0.1366 1.1659 1.1685 1.1743 1.1956 1.5080 1.5097 1.5382 1.5415 1.6037 1.6436 1.6603 1.6851 2.2036 2.2500 2.2543 2.2800 2.3594 2.4243 2.5348 2.5798 2.6277 2.6908 2.7621 2.8022 2.8743 2.9090 2.9355 2.9850 4.1452 4.1600 4.3055 4.3166 4.4301 4.4938 4.6642 4.6819 4.7966 4.7973 4.9507 4.9900 8.3234 8.3339 8.3902 8.3991 8.8885 8.8932 8.9294 8.9433 9.5026 9.5044 k = 0.4453 0.4616 0.0887 ( 6804 PWs) bands (ev): -7.3649 -7.3644 -7.3573 -7.3566 -6.9082 -6.9078 -6.8790 -6.8772 -0.1603 -0.1457 -0.1367 -0.1290 1.1652 1.1666 1.1736 1.2003 1.5025 1.5073 1.5395 1.5472 1.5991 1.6443 1.6650 1.6932 2.1864 2.2318 2.2489 2.2799 2.3292 2.4074 2.5312 2.5908 2.6249 2.6974 2.7844 2.8218 2.8615 2.8985 2.9510 3.0048 4.0962 4.1120 4.2979 4.3128 4.4059 4.4719 4.6839 4.7198 4.7734 4.7856 4.9911 5.0298 8.3229 8.3340 8.4120 8.4232 8.9210 8.9253 8.9741 8.9897 9.5082 9.5124 k = 0.4362 0.4732 0.1035 ( 6800 PWs) bands (ev): -7.3629 -7.3623 -7.3523 -7.3515 -6.9172 -6.9169 -6.8779 -6.8758 -0.1606 -0.1438 -0.1291 -0.1202 1.1650 1.1650 1.1731 1.2051 1.4946 1.5029 1.5382 1.5531 1.5999 1.6463 1.6702 1.7016 2.1659 2.2055 2.2373 2.2795 2.3083 2.3954 2.5280 2.6025 2.6218 2.7027 2.8003 2.8359 2.8539 2.8884 2.9725 3.0276 4.0462 4.0627 4.2872 4.3064 4.3832 4.4496 4.6830 4.7385 4.7653 4.7918 5.0342 5.0713 8.3253 8.3367 8.4383 8.4520 8.9573 8.9603 9.0217 9.0391 9.5163 9.5241 k = 0.4270 0.4849 0.1183 ( 6792 PWs) bands (ev): -7.3607 -7.3601 -7.3466 -7.3457 -6.9274 -6.9270 -6.8766 -6.8742 -0.1608 -0.1420 -0.1205 -0.1104 1.1640 1.1655 1.1731 1.2101 1.4837 1.4946 1.5362 1.5593 1.6059 1.6501 1.6760 1.7101 2.1410 2.1729 2.2192 2.2786 2.2988 2.3867 2.5252 2.6150 2.6181 2.7059 2.8042 2.8423 2.8581 2.8829 2.9984 3.0533 3.9960 4.0128 4.2733 4.2967 4.3621 4.4274 4.6619 4.7096 4.8015 4.8150 5.0788 5.1137 8.3311 8.3426 8.4690 8.4854 8.9959 8.9968 9.0708 9.0902 9.5281 9.5408 k = 0.4179 0.4965 0.1331 ( 6790 PWs) bands (ev): -7.3585 -7.3578 -7.3402 -7.3391 -6.9385 -6.9380 -6.8751 -6.8725 -0.1611 -0.1404 -0.1108 -0.0995 1.1639 1.1667 1.1737 1.2153 1.4700 1.4816 1.5357 1.5655 1.6155 1.6556 1.6821 1.7185 2.1113 2.1362 2.1990 2.2770 2.2967 2.3798 2.5225 2.6135 2.6283 2.7062 2.7991 2.8381 2.8724 2.8875 3.0272 3.0813 3.9459 3.9628 4.2563 4.2834 4.3421 4.4059 4.6305 4.6749 4.8401 4.8457 5.1243 5.1565 8.3402 8.3517 8.5040 8.5234 9.0327 9.0350 9.1202 9.1418 9.5454 9.5641 k = 0.4088 0.5082 0.1479 ( 6792 PWs) bands (ev): -7.3563 -7.3556 -7.3330 -7.3319 -6.9504 -6.9498 -6.8734 -6.8706 -0.1616 -0.1391 -0.1001 -0.0877 1.1647 1.1686 1.1751 1.2206 1.4534 1.4649 1.5371 1.5717 1.6273 1.6626 1.6885 1.7267 2.0779 2.0970 2.1798 2.2742 2.2982 2.3732 2.5195 2.6080 2.6424 2.7033 2.7925 2.8274 2.8902 2.8998 3.0576 3.1112 3.8963 3.9131 4.2366 4.2662 4.3232 4.3854 4.5941 4.6374 4.8785 4.8789 5.1698 5.1993 8.3527 8.3641 8.5429 8.5656 9.0662 9.0723 9.1688 9.1928 9.5702 9.5959 k = 0.3997 0.5198 0.1626 ( 6802 PWs) bands (ev): -7.3543 -7.3536 -7.3252 -7.3239 -6.9629 -6.9623 -6.8716 -6.8685 -0.1622 -0.1381 -0.0885 -0.0750 1.1668 1.1711 1.1774 1.2260 1.4343 1.4457 1.5399 1.5776 1.6405 1.6709 1.6953 1.7345 2.0426 2.0565 2.1622 2.2701 2.3018 2.3664 2.5162 2.6017 2.6573 2.6972 2.7876 2.8149 2.9092 2.9161 3.0888 3.1424 3.8477 3.8640 4.2143 4.2448 4.3054 4.3660 4.5552 4.5979 4.9127 4.9162 5.2148 5.2416 8.3686 8.3798 8.5851 8.6114 9.0954 9.1056 9.2159 9.2421 9.6046 9.6273 k = 0.3906 0.5314 0.1774 ( 6804 PWs) bands (ev): -7.3527 -7.3519 -7.3167 -7.3153 -6.9757 -6.9750 -6.8696 -6.8662 -0.1631 -0.1376 -0.0761 -0.0615 1.1701 1.1741 1.1811 1.2315 1.4131 1.4250 1.5437 1.5832 1.6544 1.6798 1.7024 1.7418 2.0070 2.0155 2.1458 2.2643 2.3065 2.3590 2.5123 2.5949 2.6711 2.6902 2.7856 2.8027 2.9289 2.9347 3.1202 3.1744 3.8005 3.8159 4.1891 4.2193 4.2892 4.3476 4.5152 4.5567 4.9463 4.9528 5.2586 5.2827 8.3876 8.3987 8.6298 8.6600 9.1193 9.1331 9.2613 9.2890 9.6505 9.6611 k = 0.3815 0.5431 0.1922 ( 6806 PWs) bands (ev): -7.3516 -7.3508 -7.3076 -7.3061 -6.9887 -6.9879 -6.8675 -6.8639 -0.1643 -0.1376 -0.0629 -0.0473 1.1747 1.1774 1.1863 1.2371 1.3903 1.4034 1.5482 1.5882 1.6680 1.6888 1.7102 1.7482 1.9724 1.9747 2.1306 2.2565 2.3119 2.3512 2.5077 2.5881 2.6700 2.6960 2.7865 2.7916 2.9490 2.9550 3.1515 3.2067 3.7548 3.7692 4.1606 4.1897 4.2754 4.3298 4.4758 4.5146 4.9788 4.9879 5.3007 5.3224 8.4097 8.4207 8.6761 8.7102 9.1376 9.1541 9.3049 9.3332 9.7017 9.7083 k = 0.3723 0.5547 0.2070 ( 6798 PWs) bands (ev): -7.3512 -7.3504 -7.2979 -7.2963 -7.0015 -7.0007 -6.8652 -6.8613 -0.1659 -0.1383 -0.0489 -0.0323 1.1806 1.1809 1.1931 1.2426 1.3663 1.3816 1.5532 1.5922 1.6806 1.6972 1.7190 1.7537 1.9345 1.9399 2.1165 2.2467 2.3179 2.3433 2.5022 2.5816 2.6566 2.7121 2.7824 2.7904 2.9695 2.9762 3.1824 3.2391 3.7112 3.7240 4.1289 4.1563 4.2645 4.3111 4.4393 4.4720 5.0098 5.0210 5.3407 5.3600 8.4348 8.4456 8.7226 8.7608 9.1511 9.1690 9.3475 9.3750 9.7498 9.7779 k = 0.3632 0.5663 0.2218 ( 6790 PWs) bands (ev): -7.3519 -7.3510 -7.2876 -7.2859 -7.0139 -7.0129 -6.8627 -6.8587 -0.1680 -0.1395 -0.0343 -0.0168 1.1845 1.1874 1.2014 1.2481 1.3416 1.3602 1.5584 1.5950 1.6911 1.7043 1.7293 1.7578 1.8955 1.9109 2.1037 2.2350 2.3241 2.3356 2.4955 2.5757 2.6403 2.7275 2.7772 2.7970 2.9902 2.9978 3.2127 3.2710 3.6698 3.6807 4.0939 4.1195 4.2569 4.2893 4.4087 4.4294 5.0387 5.0517 5.3780 5.3952 8.4626 8.4732 8.7679 8.8100 9.1608 9.1791 9.3898 9.4155 9.8055 9.8579 k = 0.3541 0.5780 0.2366 ( 6794 PWs) bands (ev): -7.3538 -7.3530 -7.2768 -7.2750 -7.0254 -7.0243 -6.8602 -6.8560 -0.1705 -0.1416 -0.0191 -0.0006 1.1880 1.1945 1.2109 1.2532 1.3170 1.3405 1.5637 1.5960 1.6989 1.7094 1.7411 1.7600 1.8582 1.8867 2.0926 2.2218 2.3284 2.3305 2.4873 2.5707 2.6224 2.7357 2.7813 2.8058 3.0107 3.0192 3.2421 3.3021 3.6311 3.6395 4.0562 4.0797 4.2527 4.2621 4.3869 4.3875 5.0650 5.0796 5.4121 5.4276 8.4932 8.5035 8.8107 8.8562 9.1680 9.1858 9.4329 9.4557 9.8687 9.9323 k = 0.3450 0.5896 0.2513 ( 6798 PWs) bands (ev): -7.3572 -7.3564 -7.2654 -7.2636 -7.0358 -7.0346 -6.8575 -6.8531 -0.1736 -0.1444 -0.0033 0.0161 1.1907 1.2003 1.2209 1.2577 1.2941 1.3242 1.5689 1.5946 1.7036 1.7118 1.7536 1.7602 1.8238 1.8684 2.0835 2.2079 2.3216 2.3370 2.4773 2.5670 2.6035 2.7343 2.7972 2.8166 3.0309 3.0398 3.2703 3.3323 3.5953 3.6007 4.0163 4.0376 4.2296 4.2517 4.3471 4.3747 5.0882 5.1042 5.4427 5.4567 8.5263 8.5363 8.8497 8.8979 9.1741 9.1909 9.4773 9.4969 9.9392 10.0042 k = 0.3359 0.6013 0.2661 ( 6782 PWs) bands (ev): -7.3624 -7.3617 -7.2536 -7.2516 -7.0447 -7.0434 -6.8547 -6.8501 -0.1772 -0.1480 0.0130 0.0332 1.1909 1.2021 1.2295 1.2614 1.2768 1.3144 1.5736 1.5901 1.7044 1.7112 1.7585 1.7657 1.7942 1.8567 2.0768 2.1941 2.3154 2.3435 2.4654 2.5646 2.5838 2.7287 2.8191 2.8290 3.0503 3.0594 3.2969 3.3609 3.5632 3.5646 3.9750 3.9936 4.1938 4.2532 4.3094 4.3706 5.1079 5.1251 5.4694 5.4822 8.5618 8.5714 8.8840 8.9338 9.1803 9.1955 9.5232 9.5397 10.0170 10.0822 k = 0.3267 0.6129 0.2809 ( 6790 PWs) bands (ev): -7.3696 -7.3689 -7.2413 -7.2393 -7.0519 -7.0504 -6.8518 -6.8471 -0.1815 -0.1524 0.0297 0.0509 1.1850 1.1969 1.2329 1.2654 1.2724 1.3132 1.5774 1.5819 1.6986 1.7080 1.7559 1.7700 1.7796 1.8503 2.0727 2.1813 2.3095 2.3501 2.4515 2.5634 2.5635 2.7220 2.8423 2.8433 3.0687 3.0773 3.3209 3.3877 3.5315 3.5354 3.9329 3.9484 4.1573 4.2513 4.2809 4.3727 5.1236 5.1418 5.4919 5.5040 8.5995 8.6087 8.9132 8.9636 9.1874 9.2009 9.5703 9.5840 10.1021 10.1666 k = 0.3267 0.6129 0.2809 ( 6790 PWs) bands (ev): -7.3696 -7.3689 -7.2413 -7.2393 -7.0519 -7.0504 -6.8518 -6.8471 -0.1815 -0.1524 0.0297 0.0509 1.1850 1.1969 1.2329 1.2654 1.2724 1.3132 1.5774 1.5819 1.6986 1.7080 1.7559 1.7700 1.7796 1.8503 2.0727 2.1813 2.3095 2.3501 2.4515 2.5634 2.5635 2.7220 2.8423 2.8433 3.0687 3.0773 3.3209 3.3877 3.5315 3.5354 3.9329 3.9484 4.1573 4.2513 4.2809 4.3727 5.1236 5.1418 5.4919 5.5040 8.5995 8.6087 8.9132 8.9636 9.1874 9.2009 9.5703 9.5840 10.1021 10.1666 k = 0.3075 0.6071 0.2882 ( 6795 PWs) bands (ev): -7.3757 -7.3749 -7.2339 -7.2318 -7.0540 -7.0525 -6.8505 -6.8457 -0.1846 -0.1560 0.0396 0.0608 1.1784 1.1912 1.2322 1.2687 1.2760 1.3158 1.5743 1.5805 1.6910 1.7054 1.7534 1.7675 1.7842 1.8480 2.0704 2.1757 2.3075 2.3556 2.4436 2.5460 2.5703 2.7184 2.8436 2.8595 3.0764 3.0851 3.3288 3.3964 3.5188 3.5272 3.9096 3.9232 4.1444 4.2452 4.2782 4.3750 5.1279 5.1463 5.5023 5.5137 8.6221 8.6311 8.9247 8.9748 9.1876 9.2001 9.5994 9.6118 10.1451 10.2089 k = 0.2883 0.6014 0.2956 ( 6792 PWs) bands (ev): -7.3844 -7.3836 -7.2255 -7.2233 -7.0540 -7.0524 -6.8493 -6.8445 -0.1890 -0.1616 0.0517 0.0723 1.1689 1.1837 1.2299 1.2735 1.2824 1.3206 1.5663 1.5816 1.6789 1.7027 1.7522 1.7691 1.7905 1.8455 2.0668 2.1716 2.3074 2.3641 2.4344 2.5282 2.5772 2.7144 2.8433 2.8737 3.0819 3.0917 3.3285 3.3941 3.5131 3.5291 3.8847 3.8960 4.1403 4.2420 4.2805 4.3765 5.1277 5.1459 5.5124 5.5223 8.6515 8.6605 8.9329 8.9822 9.1827 9.1940 9.6380 9.6493 10.1859 10.2487 k = 0.2691 0.5956 0.3029 ( 6787 PWs) bands (ev): -7.3945 -7.3936 -7.2176 -7.2154 -7.0516 -7.0499 -6.8485 -6.8436 -0.1941 -0.1683 0.0652 0.0849 1.1569 1.1747 1.2268 1.2783 1.2906 1.3280 1.5572 1.5809 1.6654 1.7005 1.7546 1.7716 1.7971 1.8433 2.0629 2.1693 2.3093 2.3734 2.4240 2.5105 2.5840 2.7098 2.8418 2.8853 3.0854 3.0972 3.3180 3.3796 3.5144 3.5401 3.8626 3.8727 4.1423 4.2426 4.2841 4.3767 5.1236 5.1415 5.5210 5.5290 8.6873 8.6963 8.9382 8.9863 9.1760 9.1860 9.6833 9.6937 10.2239 10.2855 k = 0.2499 0.5898 0.3102 ( 6792 PWs) bands (ev): -7.4051 -7.4041 -7.2112 -7.2090 -7.0466 -7.0447 -6.8480 -6.8430 -0.1997 -0.1755 0.0794 0.0981 1.1433 1.1640 1.2237 1.2818 1.2999 1.3380 1.5475 1.5771 1.6541 1.6993 1.7597 1.7739 1.8033 1.8423 2.0592 2.1689 2.3128 2.3821 2.4128 2.4932 2.5907 2.7044 2.8391 2.8943 3.0866 3.1018 3.2980 3.3555 3.5207 3.5557 3.8455 3.8600 4.1478 4.2450 4.2888 4.3754 5.1162 5.1337 5.5272 5.5329 8.7290 8.7382 8.9416 8.9881 9.1697 9.1785 9.7335 9.7435 10.2587 10.3185 k = 0.2306 0.5841 0.3175 ( 6792 PWs) bands (ev): -7.4157 -7.4147 -7.2067 -7.2046 -7.0392 -7.0371 -6.8478 -6.8428 -0.2053 -0.1829 0.0939 0.1114 1.1287 1.1516 1.2209 1.2836 1.3097 1.3501 1.5380 1.5696 1.6473 1.6993 1.7667 1.7759 1.8074 1.8441 2.0563 2.1703 2.3174 2.3873 2.4029 2.4767 2.5968 2.6981 2.8353 2.9004 3.0857 3.1055 3.2706 3.3250 3.5290 3.5716 3.8371 3.8601 4.1554 4.2471 4.2951 4.3726 5.1060 5.1233 5.5301 5.5336 8.7759 8.7855 8.9441 8.9887 9.1655 9.1730 9.7873 9.7975 10.2897 10.3472 k = 0.2114 0.5783 0.3248 ( 6794 PWs) bands (ev): -7.4259 -7.4250 -7.2041 -7.2021 -7.0298 -7.0275 -6.8480 -6.8430 -0.2107 -0.1902 0.1081 0.1244 1.1135 1.1377 1.2187 1.2838 1.3197 1.3635 1.5294 1.5592 1.6450 1.7005 1.7736 1.7793 1.8086 1.8498 2.0542 2.1733 2.3221 2.3809 2.4023 2.4616 2.6023 2.6909 2.8302 2.9035 3.0823 3.1086 3.2385 3.2911 3.5375 3.5848 3.8401 3.8721 4.1639 4.2475 4.3033 4.3684 5.0937 5.1108 5.5295 5.5307 8.8269 8.8370 8.9468 8.9895 9.1640 9.1702 9.8439 9.8552 10.3164 10.3709 k = 0.1922 0.5726 0.3321 ( 6788 PWs) bands (ev): -7.4356 -7.4347 -7.2030 -7.2012 -7.0188 -7.0162 -6.8486 -6.8436 -0.2158 -0.1972 0.1219 0.1369 1.0982 1.1226 1.2169 1.2822 1.3297 1.3773 1.5222 1.5476 1.6460 1.7028 1.7756 1.7871 1.8088 1.8592 2.0528 2.1779 2.3256 2.3680 2.4060 2.4488 2.6066 2.6827 2.8237 2.9032 3.0763 3.1111 3.2040 3.2570 3.5456 3.5945 3.8545 3.8944 4.1723 4.2460 4.3129 4.3629 5.0798 5.0966 5.5243 5.5253 8.8801 8.8909 8.9511 8.9919 9.1661 9.1711 9.9026 9.9159 10.3385 10.3891 k = 0.1730 0.5668 0.3395 ( 6787 PWs) bands (ev): -7.4446 -7.4438 -7.2031 -7.2015 -7.0068 -7.0041 -6.8497 -6.8448 -0.2205 -0.2037 0.1349 0.1486 1.0831 1.1069 1.2157 1.2792 1.3396 1.3906 1.5166 1.5364 1.6493 1.7061 1.7754 1.7918 1.8144 1.8712 2.0519 2.1838 2.3254 2.3557 2.4081 2.4395 2.6091 2.6738 2.8156 2.8993 3.0675 3.1128 3.1697 3.2259 3.5534 3.6012 3.8783 3.9245 4.1801 4.2430 4.3230 4.3566 5.0647 5.0812 5.5148 5.5177 8.9313 8.9424 8.9598 8.9977 9.1733 9.1780 9.9631 9.9791 10.3555 10.4015 k = 0.1538 0.5610 0.3468 ( 6784 PWs) bands (ev): -7.4528 -7.4521 -7.2040 -7.2025 -6.9943 -6.9914 -6.8513 -6.8464 -0.2246 -0.2097 0.1471 0.1594 1.0685 1.0909 1.2149 1.2748 1.3492 1.4026 1.5126 1.5266 1.6541 1.7101 1.7739 1.7898 1.8285 1.8854 2.0511 2.1909 2.3174 2.3479 2.4082 2.4341 2.6090 2.6646 2.8059 2.8913 3.0565 3.1124 3.1389 3.2005 3.5612 3.6061 3.9088 3.9601 4.1864 4.2390 4.3321 4.3501 5.0489 5.0650 5.5027 5.5070 8.9589 8.9777 8.9932 9.0135 9.1882 9.1950 10.0246 10.0440 10.3674 10.4083 k = 0.1345 0.5553 0.3541 ( 6781 PWs) bands (ev): -7.4602 -7.4595 -7.2053 -7.2040 -6.9818 -6.9788 -6.8533 -6.8486 -0.2282 -0.2151 0.1582 0.1691 1.0548 1.0753 1.2147 1.2695 1.3584 1.4127 1.5099 1.5190 1.6600 1.7148 1.7709 1.7856 1.8472 1.9015 2.0500 2.1983 2.3026 2.3437 2.4077 2.4317 2.6053 2.6555 2.7948 2.8792 3.0446 3.0992 3.1241 3.1814 3.5690 3.6101 3.9433 3.9992 4.1911 4.2349 4.3366 4.3461 5.0329 5.0483 5.4887 5.4942 8.9701 8.9954 9.0300 9.0422 9.2161 9.2268 10.0862 10.1096 10.3743 10.4098 k = 0.1153 0.5495 0.3614 ( 6785 PWs) bands (ev): -7.4667 -7.4661 -7.2068 -7.2057 -6.9696 -6.9665 -6.8559 -6.8513 -0.2311 -0.2199 0.1681 0.1776 1.0423 1.0605 1.2150 1.2635 1.3673 1.4202 1.5077 1.5142 1.6668 1.7201 1.7661 1.7813 1.8687 1.9196 2.0480 2.2046 2.2862 2.3396 2.4081 2.4305 2.5979 2.6464 2.7835 2.8635 3.0334 3.0765 3.1233 3.1677 3.5770 3.6133 3.9797 4.0400 4.1938 4.2312 4.3313 4.3491 5.0174 5.0318 5.4737 5.4799 8.9813 9.0058 9.0555 9.0643 9.2599 9.2742 10.1465 10.1745 10.3767 10.4071 k = 0.0961 0.5438 0.3687 ( 6780 PWs) bands (ev): -7.4722 -7.4717 -7.2083 -7.2074 -6.9580 -6.9548 -6.8589 -6.8545 -0.2335 -0.2241 0.1767 0.1848 1.0314 1.0469 1.2158 1.2572 1.3758 1.4247 1.5060 1.5119 1.6743 1.7257 1.7598 1.7772 1.8920 1.9400 2.0448 2.2057 2.2733 2.3349 2.4091 2.4296 2.5877 2.6364 2.7735 2.8457 3.0244 3.0569 3.1246 3.1581 3.5848 3.6161 4.0161 4.0805 4.1949 4.2287 4.3231 4.3513 5.0029 5.0160 5.4589 5.4653 8.9929 9.0149 9.0704 9.0766 9.3154 9.3320 10.2025 10.2366 10.3760 10.4014 k = 0.0769 0.5380 0.3761 ( 6782 PWs) bands (ev): -7.4767 -7.4763 -7.2097 -7.2090 -6.9473 -6.9442 -6.8622 -6.8581 -0.2352 -0.2276 0.1841 0.1906 1.0222 1.0349 1.2172 1.2509 1.3839 1.4261 1.5053 1.5112 1.6823 1.7315 1.7524 1.7731 1.9158 1.9630 2.0398 2.1955 2.2703 2.3300 2.4099 2.4285 2.5770 2.6245 2.7663 2.8275 3.0177 3.0419 3.1264 3.1511 3.5924 3.6181 4.0511 4.1180 4.1954 4.2284 4.3138 4.3499 4.9901 5.0014 5.4453 5.4512 9.0045 9.0231 9.0786 9.0829 9.3757 9.3930 10.2489 10.2907 10.3757 10.3960 k = 0.0577 0.5322 0.3834 ( 6779 PWs) bands (ev): -7.4803 -7.4800 -7.2109 -7.2103 -6.9377 -6.9349 -6.8656 -6.8620 -0.2363 -0.2306 0.1900 0.1950 1.0153 1.0249 1.2192 1.2447 1.3916 1.4250 1.5057 1.5109 1.6908 1.7373 1.7442 1.7689 1.9389 1.9892 2.0327 2.1742 2.2765 2.3251 2.4101 2.4268 2.5683 2.6106 2.7628 2.8105 3.0136 3.0307 3.1283 3.1458 3.5995 3.6192 4.0828 4.1469 4.1993 4.2315 4.3036 4.3439 4.9797 4.9888 5.4337 5.4387 9.0152 9.0299 9.0831 9.0861 9.4343 9.4506 10.2766 10.3214 10.3872 10.4000 k = 0.0384 0.5265 0.3907 ( 6780 PWs) bands (ev): -7.4828 -7.4826 -7.2117 -7.2113 -6.9299 -6.9276 -6.8686 -6.8658 -0.2368 -0.2330 0.1945 0.1978 1.0106 1.0171 1.2219 1.2390 1.3989 1.4219 1.5067 1.5105 1.6996 1.7356 1.7431 1.7644 1.9602 2.0168 2.0248 2.1466 2.2867 2.3202 2.4105 2.4237 2.5639 2.5959 2.7631 2.7956 3.0116 3.0227 3.1304 3.1416 3.6058 3.6191 4.1099 4.1585 4.2125 4.2388 4.2938 4.3331 4.9723 4.9787 5.4251 5.4287 9.0243 9.0345 9.0855 9.0876 9.4849 9.4981 10.2831 10.3173 10.4127 10.4227 k = 0.0192 0.5207 0.3980 ( 6776 PWs) bands (ev): -7.4843 -7.4842 -7.2122 -7.2120 -6.9243 -6.9229 -6.8706 -6.8690 -0.2367 -0.2348 0.1976 0.1993 1.0084 1.0116 1.2252 1.2338 1.4057 1.4174 1.5080 1.5100 1.7086 1.7267 1.7488 1.7595 1.9794 2.0105 2.0507 2.1157 2.2974 2.3143 2.4120 2.4195 2.5649 2.5822 2.7669 2.7833 3.0116 3.0170 3.1328 3.1382 3.6110 3.6178 4.1311 4.1559 4.2291 4.2463 4.2902 4.3179 4.9684 4.9717 5.4201 5.4220 9.0312 9.0365 9.0869 9.0880 9.5211 9.5286 10.2820 10.3004 10.4358 10.4467 k = 0.0000 0.5149 0.4053 ( 6776 PWs) bands (ev): -7.4848 -7.4848 -7.2123 -7.2123 -6.9218 -6.9218 -6.8708 -6.8708 -0.2361 -0.2361 0.1992 0.1992 1.0087 1.0087 1.2292 1.2292 1.4119 1.4119 1.5091 1.5091 1.7177 1.7177 1.7543 1.7543 1.9962 1.9962 2.0832 2.0832 2.3069 2.3069 2.4151 2.4151 2.5714 2.5714 2.7737 2.7737 3.0134 3.0134 3.1353 3.1353 3.6151 3.6151 4.1463 4.1463 4.2421 4.2421 4.3009 4.3009 4.9682 4.9682 5.4191 5.4191 9.0353 9.0353 9.0877 9.0877 9.5368 9.5368 10.2866 10.2866 10.4504 10.4504 k = 0.0000 0.5149 0.4053 ( 6776 PWs) bands (ev): -7.4848 -7.4848 -7.2123 -7.2123 -6.9218 -6.9218 -6.8708 -6.8708 -0.2361 -0.2361 0.1992 0.1992 1.0087 1.0087 1.2292 1.2292 1.4119 1.4119 1.5091 1.5091 1.7177 1.7177 1.7543 1.7543 1.9962 1.9962 2.0832 2.0832 2.3069 2.3069 2.4151 2.4151 2.5714 2.5714 2.7737 2.7737 3.0134 3.0134 3.1353 3.1353 3.6151 3.6151 4.1463 4.1463 4.2421 4.2421 4.3009 4.3009 4.9682 4.9682 5.4191 5.4191 9.0353 9.0353 9.0877 9.0877 9.5368 9.5368 10.2866 10.2866 10.4504 10.4504 k = 0.0093 0.5031 0.4204 ( 6780 PWs) bands (ev): -7.4845 -7.4843 -7.2122 -7.2120 -6.9223 -6.9220 -6.8710 -6.8709 -0.2366 -0.2352 0.1976 0.1995 1.0069 1.0099 1.2268 1.2292 1.4088 1.4144 1.5038 1.5155 1.7120 1.7193 1.7525 1.7577 1.9961 1.9966 2.0797 2.0870 2.3009 2.3069 2.4121 2.4167 2.5690 2.5745 2.7660 2.7835 3.0119 3.0126 3.1318 3.1453 3.6124 3.6228 4.1455 4.1474 4.2406 4.2477 4.3021 4.3045 4.9673 4.9710 5.4176 5.4195 9.0291 9.0299 9.0872 9.0876 9.5330 9.5380 10.2844 10.2906 10.4441 10.4492 k = 0.0185 0.4913 0.4354 ( 6780 PWs) bands (ev): -7.4834 -7.4830 -7.2116 -7.2114 -6.9236 -6.9230 -6.8717 -6.8715 -0.2367 -0.2340 0.1949 0.1986 1.0045 1.0103 1.2222 1.2269 1.4050 1.4163 1.4997 1.5228 1.7041 1.7161 1.7503 1.7636 1.9958 1.9977 2.0765 2.0909 2.2895 2.3018 2.4086 2.4155 2.5685 2.5770 2.7616 2.7946 3.0083 3.0086 3.1364 3.1606 3.6152 3.6350 4.1448 4.1489 4.2436 4.2568 4.3078 4.3129 4.9685 4.9759 5.4150 5.4188 9.0112 9.0132 9.0861 9.0872 9.5267 9.5366 10.2813 10.2933 10.4302 10.4411 k = 0.0278 0.4795 0.4504 ( 6776 PWs) bands (ev): -7.4815 -7.4810 -7.2108 -7.2104 -6.9256 -6.9248 -6.8728 -6.8725 -0.2365 -0.2324 0.1910 0.1965 1.0016 1.0100 1.2154 1.2224 1.4007 1.4178 1.4967 1.5308 1.6952 1.7092 1.7466 1.7713 1.9945 1.9996 2.0740 2.0948 2.2738 2.2927 2.4045 2.4106 2.5698 2.5774 2.7615 2.8065 3.0014 3.0024 3.1502 3.1807 3.6237 3.6510 4.1441 4.1506 4.2512 4.2691 4.3182 4.3261 4.9718 4.9826 5.4114 5.4169 8.9830 8.9864 9.0848 9.0868 9.5181 9.5324 10.2705 10.2869 10.4098 10.4265 k = 0.0370 0.4677 0.4654 ( 6776 PWs) bands (ev): -7.4788 -7.4781 -7.2095 -7.2090 -6.9283 -6.9273 -6.8743 -6.8739 -0.2359 -0.2305 0.1860 0.1932 0.9981 1.0090 1.2066 1.2158 1.3962 1.4190 1.4946 1.5390 1.6861 1.7000 1.7409 1.7795 1.9918 2.0019 2.0722 2.0988 2.2555 2.2808 2.3995 2.4018 2.5725 2.5750 2.7664 2.8184 2.9919 2.9944 3.1727 3.2049 3.6381 3.6703 4.1431 4.1524 4.2632 4.2842 4.3330 4.3439 4.9774 4.9912 5.4065 5.4138 8.9467 8.9517 9.0833 9.0861 9.5070 9.5253 10.2463 10.2648 10.3843 10.4062 k = 0.0463 0.4559 0.4804 ( 6782 PWs) bands (ev): -7.4753 -7.4745 -7.2079 -7.2073 -6.9318 -6.9305 -6.8762 -6.8757 -0.2349 -0.2282 0.1799 0.1887 0.9942 1.0072 1.1959 1.2073 1.3918 1.4200 1.4932 1.5473 1.6770 1.6893 1.7334 1.7875 1.9877 2.0041 2.0709 2.1028 2.2360 2.2671 2.3897 2.3932 2.5697 2.5755 2.7756 2.8298 2.9826 2.9851 3.2021 3.2323 3.6583 3.6927 4.1418 4.1540 4.2794 4.3019 4.3520 4.3658 4.9852 5.0015 5.4003 5.4092 8.9049 8.9115 9.0813 9.0847 9.4936 9.5151 10.2080 10.2268 10.3554 10.3812 k = 0.0556 0.4440 0.4954 ( 6780 PWs) bands (ev): -7.4711 -7.4701 -7.2060 -7.2053 -6.9359 -6.9344 -6.8785 -6.8779 -0.2335 -0.2256 0.1728 0.1832 0.9898 1.0045 1.1837 1.1970 1.3876 1.4210 1.4922 1.5554 1.6682 1.6779 1.7246 1.7948 1.9823 2.0054 2.0697 2.1066 2.2164 2.2526 2.3753 2.3856 2.5623 2.5780 2.7873 2.8391 2.9765 2.9767 3.2364 3.2616 3.6844 3.7181 4.1403 4.1552 4.2992 4.3221 4.3749 4.3912 4.9952 5.0134 5.3926 5.4032 8.8599 8.8681 9.0782 9.0821 9.4781 9.5019 10.1578 10.1759 10.3247 10.3529 k = 0.0648 0.4322 0.5104 ( 6780 PWs) bands (ev): -7.4661 -7.4650 -7.2039 -7.2030 -6.9407 -6.9389 -6.8812 -6.8805 -0.2317 -0.2226 0.1647 0.1765 0.9849 1.0011 1.1702 1.1853 1.3839 1.4220 1.4914 1.5632 1.6598 1.6661 1.7148 1.8007 1.9765 2.0052 2.0678 2.1100 2.1975 2.2381 2.3594 2.3767 2.5538 2.5793 2.7985 2.8440 2.9720 2.9773 3.2737 3.2913 3.7164 3.7468 4.1387 4.1559 4.3220 4.3446 4.4011 4.4194 5.0075 5.0270 5.3833 5.3954 8.8138 8.8236 9.0735 9.0774 9.4605 9.4856 10.0988 10.1158 10.2936 10.3227 k = 0.0741 0.4204 0.5254 ( 6788 PWs) bands (ev): -7.4603 -7.4591 -7.2015 -7.2005 -6.9460 -6.9440 -6.8843 -6.8835 -0.2294 -0.2192 0.1557 0.1688 0.9798 0.9968 1.1555 1.1725 1.3808 1.4228 1.4907 1.5704 1.6519 1.6543 1.7047 1.8050 1.9708 2.0031 2.0647 2.1121 2.1798 2.2246 2.3427 2.3668 2.5450 2.5795 2.8052 2.8429 2.9746 2.9872 3.3118 3.3203 3.7545 3.7793 4.1370 4.1560 4.3475 4.3692 4.4301 4.4495 5.0219 5.0419 5.3723 5.3857 8.7682 8.7797 9.0666 9.0700 9.4410 9.4663 10.0335 10.0493 10.2631 10.2918 k = 0.0833 0.4086 0.5405 ( 6792 PWs) bands (ev): -7.4539 -7.4525 -7.1989 -7.1979 -6.9518 -6.9496 -6.8878 -6.8869 -0.2267 -0.2154 0.1459 0.1601 0.9742 0.9919 1.1401 1.1586 1.3782 1.4236 1.4900 1.5770 1.6427 1.6445 1.6945 1.8072 1.9658 1.9987 2.0598 2.1118 2.1640 2.2132 2.3260 2.3561 2.5368 2.5785 2.8049 2.8366 2.9872 3.0060 3.3475 3.3491 3.7983 3.8161 4.1355 4.1558 4.3748 4.3953 4.4612 4.4810 5.0382 5.0582 5.3593 5.3741 8.7244 8.7376 9.0567 9.0592 9.4200 9.4442 9.9640 9.9785 10.2342 10.2611 k = 0.0926 0.3968 0.5555 ( 6794 PWs) bands (ev): -7.4468 -7.4452 -7.1962 -7.1952 -6.9580 -6.9557 -6.8916 -6.8906 -0.2236 -0.2112 0.1353 0.1505 0.9685 0.9863 1.1242 1.1441 1.3763 1.4241 1.4892 1.5828 1.6318 1.6376 1.6849 1.8071 1.9616 1.9919 2.0524 2.1080 2.1503 2.2052 2.3098 2.3453 2.5296 2.5768 2.7976 2.8271 3.0095 3.0319 3.3723 3.3841 3.8477 3.8577 4.1344 4.1553 4.4036 4.4226 4.4937 4.5132 5.0564 5.0755 5.3444 5.3603 8.6835 8.6984 9.0433 9.0443 9.3977 9.4196 9.8918 9.9050 10.2077 10.2313 k = 0.1019 0.3850 0.5705 ( 6794 PWs) bands (ev): -7.4390 -7.4373 -7.1936 -7.1924 -6.9645 -6.9620 -6.8958 -6.8947 -0.2199 -0.2065 0.1241 0.1402 0.9625 0.9801 1.1079 1.1291 1.3750 1.4244 1.4884 1.5874 1.6222 1.6312 1.6760 1.8050 1.9582 1.9824 2.0427 2.0998 2.1392 2.2009 2.2948 2.3347 2.5236 2.5747 2.7854 2.8161 3.0390 3.0628 3.3944 3.4156 3.9020 3.9043 4.1340 4.1548 4.4332 4.4507 4.5270 4.5455 5.0759 5.0937 5.3274 5.3442 8.6461 8.6627 9.0249 9.0259 9.3742 9.3928 9.8183 9.8302 10.1841 10.2035 k = 0.1111 0.3731 0.5855 ( 6800 PWs) bands (ev): -7.4305 -7.4287 -7.1910 -7.1898 -6.9712 -6.9686 -6.9003 -6.8992 -0.2157 -0.2014 0.1122 0.1291 0.9564 0.9736 1.0915 1.1139 1.3743 1.4244 1.4874 1.5897 1.6152 1.6253 1.6682 1.8011 1.9546 1.9704 2.0307 2.0878 2.1308 2.1999 2.2815 2.3249 2.5189 2.5724 2.7706 2.8047 3.0734 3.0972 3.4139 3.4432 3.9556 3.9603 4.1345 4.1546 4.4631 4.4790 4.5604 4.5774 5.0966 5.1123 5.3083 5.3260 8.6129 8.6313 9.0010 9.0043 9.3493 9.3642 9.7442 9.7549 10.1643 10.1786 k = 0.1204 0.3613 0.6005 ( 6794 PWs) bands (ev): -7.4215 -7.4196 -7.1886 -7.1874 -6.9779 -6.9753 -6.9051 -6.9040 -0.2111 -0.1959 0.0998 0.1173 0.9503 0.9668 1.0752 1.0985 1.3741 1.4240 1.4863 1.5881 1.6129 1.6200 1.6616 1.7959 1.9499 1.9558 2.0175 2.0730 2.1252 2.2008 2.2703 2.3161 2.5154 2.5702 2.7546 2.7936 3.1107 3.1342 3.4309 3.4667 4.0108 4.0216 4.1364 4.1550 4.4929 4.5072 4.5934 4.6085 5.1177 5.1311 5.2872 5.3056 8.5842 8.6043 8.9728 8.9787 9.3230 9.3340 9.6706 9.6800 10.1491 10.1580 k = 0.1296 0.3495 0.6155 ( 6794 PWs) bands (ev): -7.4118 -7.4098 -7.1866 -7.1854 -6.9845 -6.9818 -6.9103 -6.9091 -0.2059 -0.1899 0.0870 0.1050 0.9443 0.9598 1.0591 1.0833 1.3743 1.4231 1.4850 1.5831 1.6146 1.6154 1.6563 1.7900 1.9390 1.9427 2.0038 2.0564 2.1223 2.2028 2.2614 2.3084 2.5131 2.5683 2.7381 2.7830 3.1496 3.1728 3.4459 3.4863 4.0680 4.0847 4.1410 4.1566 4.5220 4.5348 4.6256 4.6384 5.1388 5.1494 5.2644 5.2834 8.5602 8.5819 8.9412 8.9494 9.2949 9.3023 9.5980 9.6062 10.1393 10.1431 k = 0.1389 0.3377 0.6305 ( 6790 PWs) bands (ev): -7.4016 -7.3995 -7.1851 -7.1840 -6.9908 -6.9881 -6.9157 -6.9145 -0.2002 -0.1835 0.0739 0.0922 0.9384 0.9529 1.0434 1.0683 1.3750 1.4217 1.4836 1.5773 1.6115 1.6183 1.6524 1.7837 1.9202 1.9323 1.9907 2.0388 2.1223 2.2050 2.2549 2.3018 2.5120 2.5668 2.7218 2.7731 3.1890 3.2121 3.4591 3.5024 4.1194 4.1458 4.1553 4.1626 4.5500 4.5617 4.6564 4.6668 5.1591 5.1668 5.2402 5.2597 8.5409 8.5643 8.9069 8.9173 9.2650 9.2695 9.5270 9.5341 10.1348 10.1354 k = 0.1481 0.3259 0.6455 ( 6784 PWs) bands (ev): -7.3910 -7.3888 -7.1844 -7.1834 -6.9965 -6.9939 -6.9214 -6.9201 -0.1939 -0.1765 0.0605 0.0791 0.9327 0.9462 1.0283 1.0538 1.3762 1.4199 1.4820 1.5718 1.6086 1.6229 1.6498 1.7773 1.8998 1.9186 1.9783 2.0208 2.1250 2.2071 2.2506 2.2962 2.5120 2.5657 2.7060 2.7639 3.2280 3.2515 3.4708 3.5156 4.1415 4.1622 4.2017 4.2145 4.5767 4.5874 4.6856 4.6934 5.1777 5.1824 5.2156 5.2353 8.5262 8.5512 8.8711 8.8835 9.2335 9.2358 9.4582 9.4642 10.1338 10.1380 k = 0.1574 0.3141 0.6606 ( 6780 PWs) bands (ev): -7.3798 -7.3776 -7.1845 -7.1838 -7.0015 -6.9990 -6.9273 -6.9260 -0.1871 -0.1691 0.0468 0.0657 0.9275 0.9398 1.0137 1.0397 1.3777 1.4177 1.4801 1.5672 1.6069 1.6278 1.6483 1.7711 1.8783 1.9022 1.9666 2.0029 2.1302 2.2092 2.2481 2.2911 2.5130 2.5650 2.6906 2.7555 3.2656 3.2901 3.4813 3.5261 4.1532 4.1697 4.2602 4.2759 4.6017 4.6120 4.7127 4.7180 5.1849 5.1931 5.2000 5.2134 8.5160 8.5424 8.8348 8.8489 9.2009 9.2018 9.3922 9.3970 10.1401 10.1469 k = 0.1667 0.3022 0.6756 ( 6766 PWs) bands (ev): -7.3683 -7.3659 -7.1858 -7.1853 -7.0054 -7.0032 -6.9334 -6.9321 -0.1798 -0.1612 0.0331 0.0520 0.9227 0.9339 0.9999 1.0263 1.3796 1.4153 1.4780 1.5635 1.6063 1.6333 1.6478 1.7653 1.8560 1.8844 1.9553 1.9854 2.1373 2.2112 2.2468 2.2865 2.5150 2.5647 2.6759 2.7480 3.3010 3.3273 3.4909 3.5344 4.1659 4.1796 4.3178 4.3337 4.6252 4.6355 4.7376 4.7404 5.1633 5.1808 5.2113 5.2124 8.5099 8.5376 8.7990 8.8146 9.1677 9.1679 9.3293 9.3332 10.1532 10.1619 k = 0.1759 0.2904 0.6906 ( 6772 PWs) bands (ev): -7.3564 -7.3540 -7.1884 -7.1881 -7.0082 -7.0063 -6.9397 -6.9384 -0.1719 -0.1527 0.0194 0.0383 0.9185 0.9285 0.9869 1.0138 1.3818 1.4126 1.4756 1.5606 1.6072 1.6391 1.6482 1.7598 1.8335 1.8658 1.9444 1.9686 2.1460 2.2134 2.2461 2.2820 2.5179 2.5646 2.6619 2.7411 3.3336 3.3625 3.4996 3.5408 4.1814 4.1927 4.3707 4.3856 4.6474 4.6582 4.7600 4.7604 5.1411 5.1589 5.2196 5.2220 8.5076 8.5364 8.7645 8.7815 9.1349 9.1350 9.2702 9.2731 10.1727 10.1825 k = 0.1852 0.2786 0.7056 ( 6770 PWs) bands (ev): -7.3442 -7.3418 -7.1924 -7.1923 -7.0098 -7.0081 -6.9461 -6.9448 -0.1636 -0.1438 0.0057 0.0245 0.9149 0.9238 0.9749 1.0021 1.3842 1.4100 1.4730 1.5585 1.6095 1.6454 1.6492 1.7548 1.8110 1.8473 1.9340 1.9529 2.1557 2.2158 2.2458 2.2773 2.5217 2.5648 2.6484 2.7350 3.3627 3.3950 3.5077 3.5455 4.2000 4.2093 4.4159 4.4287 4.6693 4.6810 4.7779 4.7798 5.1221 5.1390 5.2241 5.2289 8.5087 8.5383 8.7322 8.7505 9.1035 9.1035 9.2154 9.2174 10.1976 10.2080 k = 0.1944 0.2668 0.7206 ( 6774 PWs) bands (ev): -7.3317 -7.3293 -7.1981 -7.1977 -7.0100 -7.0087 -6.9525 -6.9513 -0.1547 -0.1344 -0.0079 0.0107 0.9121 0.9198 0.9638 0.9915 1.3869 1.4074 1.4702 1.5571 1.6133 1.6508 1.6522 1.7501 1.7889 1.8294 1.9243 1.9385 2.1661 2.2185 2.2456 2.2722 2.5264 2.5651 2.6356 2.7297 3.3877 3.4244 3.5151 3.5486 4.2220 4.2296 4.4500 4.4602 4.6920 4.7045 4.7927 4.7968 5.1081 5.1232 5.2248 5.2316 8.5127 8.5429 8.7023 8.7220 9.0743 9.0745 9.1654 9.1667 10.2271 10.2376 k = 0.2037 0.2550 0.7356 ( 6774 PWs) bands (ev): -7.3191 -7.3167 -7.2052 -7.2045 -7.0090 -7.0081 -6.9590 -6.9579 -0.1455 -0.1246 -0.0213 -0.0029 0.9101 0.9166 0.9538 0.9821 1.3897 1.4050 1.4673 1.5562 1.6186 1.6527 1.6594 1.7456 1.7677 1.8126 1.9156 1.9257 2.1769 2.2213 2.2451 2.2667 2.5319 2.5655 2.6234 2.7252 3.4086 3.4504 3.5218 3.5502 4.2473 4.2534 4.4705 4.4782 4.7162 4.7287 4.8049 4.8109 5.1005 5.1129 5.2213 5.2296 8.5191 8.5496 8.6754 8.6966 9.0484 9.0488 9.1208 9.1215 10.2604 10.2707 k = 0.2130 0.2432 0.7506 ( 6784 PWs) bands (ev): -7.3064 -7.3040 -7.2136 -7.2125 -7.0068 -7.0062 -6.9655 -6.9645 -0.1359 -0.1143 -0.0343 -0.0165 0.9090 0.9141 0.9450 0.9741 1.3925 1.4029 1.4644 1.5557 1.6253 1.6547 1.6672 1.7412 1.7475 1.7976 1.9081 1.9148 2.1877 2.2243 2.2445 2.2606 2.5381 2.5659 2.6117 2.7215 3.4251 3.4728 3.5278 3.5503 4.2755 4.2805 4.4768 4.4825 4.7412 4.7522 4.8145 4.8219 5.1002 5.1091 5.2137 5.2230 8.5274 8.5579 8.6515 8.6743 9.0265 9.0271 9.0822 9.0824 10.2966 10.3064 k = 0.2222 0.2313 0.7656 ( 6788 PWs) bands (ev): -7.2937 -7.2913 -7.2230 -7.2217 -7.0036 -7.0033 -6.9719 -6.9710 -0.1260 -0.1035 -0.0468 -0.0297 0.9086 0.9123 0.9375 0.9676 1.3950 1.4012 1.4617 1.5554 1.6334 1.6566 1.6752 1.7287 1.7364 1.7849 1.9021 1.9059 2.1985 2.2271 2.2435 2.2538 2.5451 2.5664 2.6006 2.7185 3.4375 3.4917 3.5327 3.5490 4.3060 4.3102 4.4705 4.4749 4.7646 4.7728 4.8219 4.8299 5.1072 5.1120 5.2022 5.2120 8.5373 8.5673 8.6306 8.6551 9.0097 9.0102 9.0500 9.0501 10.3350 10.3440 k = 0.2315 0.2195 0.7807 ( 6782 PWs) bands (ev): -7.2811 -7.2787 -7.2334 -7.2319 -6.9996 -6.9995 -6.9781 -6.9773 -0.1164 -0.0923 -0.0584 -0.0427 0.9090 0.9111 0.9314 0.9628 1.3971 1.4000 1.4596 1.5553 1.6422 1.6584 1.6831 1.7120 1.7312 1.7755 1.8977 1.8994 2.2088 2.2297 2.2424 2.2464 2.5527 2.5667 2.5901 2.7164 3.4461 3.5069 3.5365 3.5461 4.3380 4.3416 4.4541 4.4577 4.7839 4.7885 4.8271 4.8348 5.1203 5.1212 5.1874 5.1971 8.5480 8.5771 8.6125 8.6390 8.9987 8.9991 9.0248 9.0250 10.3746 10.3825 k = 0.2407 0.2077 0.7957 ( 6784 PWs) bands (ev): -7.2688 -7.2664 -7.2444 -7.2428 -6.9951 -6.9949 -6.9840 -6.9833 -0.1080 -0.0810 -0.0680 -0.0552 0.9098 0.9104 0.9272 0.9598 1.3985 1.3992 1.4581 1.5553 1.6502 1.6601 1.6897 1.6986 1.7260 1.7699 1.8950 1.8954 2.2186 2.2318 2.2385 2.2412 2.5607 2.5669 2.5803 2.7152 3.4511 3.5182 3.5388 3.5422 4.3704 4.3737 4.4305 4.4336 4.7968 4.7982 4.8302 4.8371 5.1352 5.1376 5.1702 5.1793 8.5586 8.5861 8.5978 8.6265 8.9943 8.9945 9.0071 9.0073 10.4146 10.4208 k = 0.2500 0.1959 0.8107 ( 6788 PWs) bands (ev): -7.2587 -7.2546 -7.2541 -7.2541 -6.9910 -6.9910 -6.9885 -6.9876 -0.1041 -0.0722 -0.0722 -0.0643 0.9102 0.9102 0.9256 0.9588 1.3990 1.3990 1.4576 1.5553 1.6535 1.6615 1.6927 1.6927 1.7235 1.7680 1.8941 1.8941 2.2251 2.2326 2.2326 2.2407 2.5670 2.5670 2.5735 2.7147 3.4527 3.5233 3.5396 3.5396 4.3992 4.4044 4.4044 4.4053 4.8014 4.8014 4.8313 4.8377 5.1522 5.1522 5.1523 5.1647 8.5645 8.5906 8.5906 8.6209 8.9962 8.9962 8.9979 8.9979 10.4502 10.4502 k = 0.2500 0.1959 0.8107 ( 6788 PWs) bands (ev): -7.2587 -7.2546 -7.2541 -7.2541 -6.9910 -6.9910 -6.9885 -6.9876 -0.1041 -0.0722 -0.0722 -0.0643 0.9102 0.9102 0.9256 0.9588 1.3990 1.3990 1.4576 1.5553 1.6535 1.6615 1.6927 1.6927 1.7235 1.7680 1.8941 1.8941 2.2251 2.2326 2.2326 2.2407 2.5670 2.5670 2.5735 2.7147 3.4527 3.5233 3.5396 3.5396 4.3992 4.4044 4.4044 4.4053 4.8014 4.8014 4.8313 4.8377 5.1522 5.1522 5.1523 5.1647 8.5645 8.5906 8.5906 8.6209 8.9962 8.9962 8.9979 8.9979 10.4502 10.4502 k = 0.2632 0.2062 0.7976 ( 6776 PWs) bands (ev): -7.2638 -7.2614 -7.2490 -7.2475 -6.9932 -6.9930 -6.9862 -6.9855 -0.1058 -0.0772 -0.0704 -0.0603 0.9096 0.9115 0.9268 0.9595 1.3975 1.4008 1.4578 1.5553 1.6530 1.6609 1.6916 1.6954 1.7252 1.7688 1.8928 1.8962 2.2224 2.2228 2.2397 2.2425 2.5532 2.5712 2.5845 2.7152 3.4514 3.5194 3.5354 3.5439 4.3798 4.3822 4.4212 4.4223 4.8001 4.8036 4.8322 4.8389 5.1434 5.1467 5.1632 5.1724 8.5535 8.5809 8.5879 8.6174 9.0021 9.0029 9.0056 9.0085 10.4294 10.4321 k = 0.2763 0.2165 0.7845 ( 6783 PWs) bands (ev): -7.2701 -7.2679 -7.2430 -7.2416 -6.9959 -6.9957 -6.9831 -6.9823 -0.1097 -0.0843 -0.0669 -0.0549 0.9090 0.9133 0.9309 0.9621 1.3965 1.4029 1.4584 1.5554 1.6524 1.6597 1.6916 1.6998 1.7295 1.7709 1.8921 1.8989 2.2106 2.2188 2.2367 2.2505 2.5403 2.5716 2.6012 2.7166 3.4474 3.5076 3.5340 3.5460 4.3516 4.3540 4.4374 4.4384 4.8007 4.8072 4.8341 4.8413 5.1397 5.1427 5.1737 5.1831 8.5214 8.5488 8.5827 8.6103 9.0229 9.0248 9.0289 9.0321 10.4019 10.4047 k = 0.2895 0.2268 0.7714 ( 6789 PWs) bands (ev): -7.2759 -7.2738 -7.2377 -7.2365 -6.9983 -6.9982 -6.9801 -6.9793 -0.1145 -0.0915 -0.0631 -0.0502 0.9083 0.9152 0.9376 0.9669 1.3961 1.4055 1.4592 1.5558 1.6526 1.6583 1.6927 1.7050 1.7359 1.7742 1.8918 1.9021 2.1974 2.2138 2.2318 2.2557 2.5288 2.5731 2.6181 2.7188 3.4410 3.4915 3.5327 3.5460 4.3188 4.3221 4.4484 4.4522 4.8028 4.8124 4.8368 4.8434 5.1423 5.1451 5.1829 5.1929 8.4756 8.5015 8.5733 8.5991 9.0518 9.0558 9.0684 9.0696 10.3731 10.3755 k = 0.3026 0.2371 0.7583 ( 6783 PWs) bands (ev): -7.2811 -7.2791 -7.2331 -7.2321 -7.0003 -7.0003 -6.9775 -6.9765 -0.1195 -0.0983 -0.0595 -0.0464 0.9081 0.9169 0.9465 0.9741 1.3962 1.4084 1.4602 1.5562 1.6542 1.6576 1.6951 1.7107 1.7438 1.7787 1.8917 1.9058 2.1833 2.2077 2.2251 2.2578 2.5192 2.5758 2.6349 2.7219 3.4324 3.4732 3.5299 3.5441 4.2835 4.2883 4.4544 4.4611 4.8048 4.8187 4.8409 4.8446 5.1517 5.1547 5.1903 5.2009 8.4231 8.4468 8.5599 8.5839 9.0879 9.0932 9.1175 9.1181 10.3439 10.3459 k = 0.3158 0.2474 0.7452 ( 6782 PWs) bands (ev): -7.2856 -7.2837 -7.2293 -7.2284 -7.0021 -7.0020 -6.9752 -6.9741 -0.1242 -0.1048 -0.0565 -0.0436 0.9085 0.9185 0.9570 0.9832 1.3968 1.4118 1.4615 1.5565 1.6572 1.6580 1.6989 1.7169 1.7527 1.7840 1.8918 1.9097 2.1683 2.2006 2.2168 2.2568 2.5120 2.5794 2.6511 2.7257 3.4222 3.4536 3.5251 3.5399 4.2476 4.2542 4.4549 4.4643 4.8051 4.8238 4.8461 4.8469 5.1675 5.1711 5.1960 5.2071 8.3684 8.3897 8.5435 8.5659 9.1295 9.1359 9.1720 9.1743 10.3149 10.3166 k = 0.3289 0.2577 0.7321 ( 6782 PWs) bands (ev): -7.2893 -7.2875 -7.2261 -7.2255 -7.0035 -7.0034 -6.9734 -6.9722 -0.1285 -0.1106 -0.0541 -0.0417 0.9100 0.9203 0.9684 0.9938 1.3979 1.4157 1.4630 1.5563 1.6596 1.6616 1.7040 1.7236 1.7623 1.7900 1.8918 1.9139 2.1527 2.1926 2.2073 2.2526 2.5075 2.5838 2.6668 2.7301 3.4106 3.4334 3.5181 3.5334 4.2127 4.2214 4.4497 4.4616 4.8033 4.8246 4.8508 4.8551 5.1877 5.1917 5.2003 5.2124 8.3148 8.3337 8.5255 8.5462 9.1750 9.1826 9.2307 9.2347 10.2864 10.2878 k = 0.3421 0.2681 0.7190 ( 6782 PWs) bands (ev): -7.2923 -7.2905 -7.2237 -7.2232 -7.0046 -7.0044 -6.9722 -6.9709 -0.1320 -0.1157 -0.0524 -0.0406 0.9125 0.9227 0.9803 1.0051 1.3996 1.4201 1.4647 1.5557 1.6626 1.6670 1.7104 1.7309 1.7726 1.7963 1.8919 1.9181 2.1369 2.1837 2.1969 2.2454 2.5059 2.5887 2.6818 2.7352 3.3981 3.4130 3.5088 3.5243 4.1800 4.1908 4.4393 4.4533 4.7999 4.8211 4.8589 4.8648 5.1984 5.2060 5.2154 5.2251 8.2650 8.2813 8.5065 8.5258 9.2233 9.2322 9.2920 9.2978 10.2586 10.2596 k = 0.3553 0.2784 0.7059 ( 6787 PWs) bands (ev): -7.2945 -7.2928 -7.2219 -7.2216 -7.0053 -7.0051 -6.9715 -6.9702 -0.1348 -0.1199 -0.0514 -0.0403 0.9163 0.9257 0.9919 1.0164 1.4020 1.4249 1.4668 1.5543 1.6669 1.6734 1.7181 1.7391 1.7835 1.8028 1.8921 1.9225 2.1211 2.1742 2.1860 2.2358 2.5072 2.5939 2.6959 2.7408 3.3848 3.3929 3.4972 3.5126 4.1505 4.1634 4.4241 4.4398 4.7959 4.8159 4.8685 4.8753 5.1982 5.2073 5.2405 5.2495 8.2209 8.2348 8.4874 8.5053 9.2735 9.2838 9.3549 9.3624 10.2315 10.2321 k = 0.3684 0.2887 0.6928 ( 6791 PWs) bands (ev): -7.2959 -7.2943 -7.2208 -7.2206 -7.0056 -7.0053 -6.9715 -6.9701 -0.1365 -0.1231 -0.0511 -0.0408 0.9214 0.9297 1.0030 1.0270 1.4053 1.4301 1.4695 1.5525 1.6724 1.6804 1.7267 1.7481 1.7947 1.8090 1.8923 1.9267 2.1058 2.1641 2.1749 2.2245 2.5112 2.5992 2.7092 2.7467 3.3711 3.3732 3.4836 3.4983 4.1247 4.1395 4.4046 4.4216 4.7922 4.8105 4.8785 4.8859 5.1954 5.2047 5.2652 5.2744 8.1842 8.1956 8.4686 8.4853 9.3251 9.3370 9.4183 9.4278 10.2049 10.2050 k = 0.3816 0.2990 0.6797 ( 6796 PWs) bands (ev): -7.2964 -7.2949 -7.2204 -7.2204 -7.0056 -7.0053 -6.9720 -6.9706 -0.1371 -0.1252 -0.0514 -0.0420 0.9277 0.9347 1.0129 1.0364 1.4095 1.4355 1.4729 1.5502 1.6790 1.6878 1.7357 1.7580 1.8063 1.8147 1.8926 1.9306 2.0914 2.1535 2.1643 2.2123 2.5174 2.6044 2.7217 2.7530 3.3541 3.3569 3.4682 3.4819 4.1030 4.1195 4.3812 4.3993 4.7896 4.8060 4.8881 4.8962 5.1908 5.1998 5.2868 5.2964 8.1562 8.1652 8.4505 8.4661 9.3775 9.3911 9.4815 9.4931 10.1780 10.1785 k = 0.3947 0.3093 0.6666 ( 6787 PWs) bands (ev): -7.2960 -7.2946 -7.2209 -7.2207 -7.0053 -7.0049 -6.9732 -6.9718 -0.1366 -0.1262 -0.0523 -0.0438 0.9354 0.9407 1.0213 1.0442 1.4146 1.4406 1.4774 1.5477 1.6864 1.6954 1.7446 1.7687 1.8181 1.8196 1.8933 1.9339 2.0785 2.1428 2.1546 2.2001 2.5256 2.6093 2.7333 2.7594 3.3358 3.3425 3.4516 3.4637 4.0853 4.1033 4.3543 4.3734 4.7885 4.8031 4.8969 4.9056 5.1850 5.1935 5.3037 5.3133 8.1381 8.1446 8.4334 8.4479 9.4303 9.4458 9.5436 9.5575 10.1506 10.1518 k = 0.4079 0.3196 0.6535 ( 6787 PWs) bands (ev): -7.2948 -7.2935 -7.2222 -7.2219 -7.0046 -7.0041 -6.9748 -6.9734 -0.1349 -0.1259 -0.0537 -0.0462 0.9442 0.9478 1.0280 1.0501 1.4205 1.4451 1.4832 1.5453 1.6947 1.7030 1.7528 1.7797 1.8234 1.8299 1.8945 1.9363 2.0676 2.1319 2.1465 2.1887 2.5353 2.6137 2.7439 2.7658 3.3185 3.3280 3.4344 3.4445 4.0715 4.0906 4.3245 4.3443 4.7893 4.8021 4.9042 4.9134 5.1786 5.1863 5.3145 5.3239 8.1306 8.1347 8.4173 8.4309 9.4831 9.5006 9.6039 9.6202 10.1220 10.1243 k = 0.4211 0.3299 0.6404 ( 6779 PWs) bands (ev): -7.2927 -7.2915 -7.2244 -7.2240 -7.0035 -7.0030 -6.9768 -6.9755 -0.1319 -0.1244 -0.0558 -0.0492 0.9542 0.9559 1.0330 1.0540 1.4269 1.4488 1.4904 1.5430 1.7038 1.7106 1.7597 1.7903 1.8269 1.8414 1.8963 1.9375 2.0594 2.1210 2.1406 2.1789 2.5463 2.6175 2.7535 2.7720 3.3022 3.3133 3.4170 3.4249 4.0611 4.0813 4.2920 4.3125 4.7922 4.8033 4.9095 4.9189 5.1726 5.1791 5.3182 5.3273 8.1340 8.1357 8.4026 8.4153 9.5356 9.5550 9.6616 9.6803 10.0914 10.0951 k = 0.4342 0.3402 0.6273 ( 6787 PWs) bands (ev): -7.2897 -7.2886 -7.2275 -7.2271 -7.0022 -7.0016 -6.9792 -6.9779 -0.1276 -0.1217 -0.0583 -0.0527 0.9648 0.9650 1.0364 1.0560 1.4334 1.4517 1.4985 1.5410 1.7136 1.7180 1.7647 1.7982 1.8315 1.8522 1.8989 1.9375 2.0542 2.1106 2.1376 2.1712 2.5582 2.6205 2.7622 2.7776 3.2871 3.2988 3.4001 3.4057 4.0539 4.0748 4.2573 4.2783 4.7972 4.8067 4.9118 4.9212 5.1680 5.1731 5.3144 5.3230 8.1476 8.1482 8.3892 8.4011 9.5873 9.6086 9.7157 9.7367 10.0582 10.0638 k = 0.4474 0.3505 0.6142 ( 6782 PWs) bands (ev): -7.2858 -7.2848 -7.2318 -7.2312 -7.0005 -6.9999 -6.9817 -6.9804 -0.1222 -0.1178 -0.0614 -0.0567 0.9745 0.9765 1.0384 1.0563 1.4398 1.4538 1.5073 1.5395 1.7239 1.7252 1.7676 1.8011 1.8395 1.8620 1.9025 1.9363 2.0523 2.1008 2.1377 2.1657 2.5707 2.6227 2.7698 2.7826 3.2735 3.2846 3.3840 3.3876 4.0493 4.0708 4.2208 4.2423 4.8041 4.8123 4.9101 4.9192 5.1660 5.1695 5.3031 5.3111 8.1701 8.1727 8.3772 8.3885 9.6377 9.6605 9.7650 9.7877 10.0218 10.0299 k = 0.4605 0.3608 0.6011 ( 6780 PWs) bands (ev): -7.2811 -7.2802 -7.2372 -7.2366 -6.9984 -6.9978 -6.9842 -6.9830 -0.1158 -0.1128 -0.0649 -0.0611 0.9845 0.9881 1.0398 1.0556 1.4456 1.4554 1.5161 1.5386 1.7318 1.7342 1.7686 1.7992 1.8502 1.8703 1.9075 1.9347 2.0535 2.0919 2.1410 2.1627 2.5836 2.6239 2.7764 2.7867 3.2615 3.2709 3.3691 3.3709 4.0469 4.0685 4.1833 4.2048 4.8125 4.8196 4.9038 4.9122 5.1677 5.1693 5.2848 5.2921 8.2021 8.2067 8.3668 8.3775 9.6859 9.7095 9.8076 9.8302 9.9832 9.9953 k = 0.4737 0.3712 0.5880 ( 6781 PWs) bands (ev): -7.2754 -7.2747 -7.2439 -7.2433 -6.9961 -6.9955 -6.9865 -6.9855 -0.1088 -0.1071 -0.0685 -0.0657 0.9945 0.9989 1.0417 1.0542 1.4506 1.4565 1.5246 1.5383 1.7376 1.7433 1.7687 1.7941 1.8614 1.8765 1.9149 1.9338 2.0577 2.0843 2.1473 2.1618 2.5965 2.6241 2.7821 2.7896 3.2512 3.2581 3.3557 3.3563 4.0460 4.0668 4.1460 4.1666 4.8219 4.8280 4.8927 4.9002 5.1730 5.1734 5.2604 5.2668 8.2425 8.2489 8.3579 8.3680 9.7306 9.7535 9.8370 9.8548 9.9483 9.9683 k = 0.4868 0.3815 0.5749 ( 6788 PWs) bands (ev): -7.2690 -7.2683 -7.2519 -7.2513 -6.9936 -6.9929 -6.9885 -6.9877 -0.1020 -0.1014 -0.0714 -0.0698 1.0039 1.0072 1.0458 1.0533 1.4546 1.4573 1.5324 1.5386 1.7422 1.7478 1.7714 1.7871 1.8716 1.8801 1.9252 1.9347 2.0644 2.0780 2.1558 2.1630 2.6091 2.6232 2.7870 2.7911 3.2428 3.2464 3.3438 3.3439 4.0454 4.0615 4.1129 4.1289 4.8307 4.8354 4.8787 4.8843 5.1805 5.1824 5.2319 5.2369 8.2896 8.2972 8.3511 8.3605 9.7686 9.7870 9.8331 9.8427 9.9376 9.9664 k = 0.5000 0.3918 0.5618 ( 6786 PWs) bands (ev): -7.2624 -7.2624 -7.2601 -7.2601 -6.9911 -6.9911 -6.9891 -6.9891 -0.0979 -0.0979 -0.0713 -0.0713 1.0114 1.0114 1.0539 1.0539 1.4578 1.4578 1.5394 1.5394 1.7453 1.7453 1.7790 1.7790 1.8808 1.8808 1.9385 1.9385 2.0731 2.0731 2.1660 2.1660 2.6213 2.6213 2.7912 2.7912 3.2361 3.2361 3.3338 3.3338 4.0411 4.0411 4.0956 4.0956 4.8338 4.8338 4.8695 4.8695 5.1856 5.1856 5.2095 5.2095 8.3381 8.3381 8.3581 8.3581 9.7881 9.7881 9.8022 9.8022 9.9549 9.9549 k = 0.5000 0.3918 0.5618 ( 6786 PWs) bands (ev): -7.2624 -7.2624 -7.2601 -7.2601 -6.9911 -6.9911 -6.9891 -6.9891 -0.0979 -0.0979 -0.0713 -0.0713 1.0114 1.0114 1.0539 1.0539 1.4578 1.4578 1.5394 1.5394 1.7453 1.7453 1.7790 1.7790 1.8808 1.8808 1.9385 1.9385 2.0731 2.0731 2.1660 2.1660 2.6213 2.6213 2.7912 2.7912 3.2361 3.2361 3.3338 3.3338 4.0411 4.0411 4.0956 4.0956 4.8338 4.8338 4.8695 4.8695 5.1856 5.1856 5.2095 5.2095 8.3381 8.3381 8.3581 8.3581 9.7881 9.7881 9.8022 9.8022 9.9549 9.9549 k = 0.5000 0.3918 0.5402 ( 6800 PWs) bands (ev): -7.2647 -7.2647 -7.2625 -7.2625 -6.9896 -6.9896 -6.9875 -6.9875 -0.0957 -0.0957 -0.0687 -0.0687 1.0189 1.0189 1.0641 1.0641 1.4603 1.4603 1.5454 1.5454 1.7424 1.7424 1.7790 1.7790 1.8887 1.8887 1.9554 1.9554 2.0780 2.0780 2.1783 2.1783 2.6292 2.6292 2.7940 2.7940 3.2231 3.2231 3.3188 3.3188 4.0088 4.0088 4.0667 4.0667 4.8217 4.8217 4.8589 4.8589 5.1686 5.1686 5.1933 5.1933 8.3797 8.3797 8.4001 8.4001 9.7298 9.7298 9.7422 9.7422 9.9584 9.9584 k = 0.5000 0.3918 0.5186 ( 6792 PWs) bands (ev): -7.2675 -7.2675 -7.2655 -7.2655 -6.9876 -6.9876 -6.9853 -6.9853 -0.0941 -0.0941 -0.0666 -0.0666 1.0270 1.0270 1.0747 1.0747 1.4627 1.4627 1.5512 1.5512 1.7384 1.7384 1.7782 1.7782 1.8981 1.8981 1.9737 1.9737 2.0839 2.0839 2.1913 2.1913 2.6380 2.6380 2.7971 2.7971 3.2097 3.2097 3.3031 3.3031 3.9776 3.9776 4.0384 4.0384 4.8095 4.8095 4.8479 4.8479 5.1521 5.1521 5.1775 5.1775 8.4222 8.4222 8.4431 8.4431 9.6520 9.6520 9.6671 9.6671 9.9656 9.9656 k = 0.5000 0.3918 0.4970 ( 6778 PWs) bands (ev): -7.2709 -7.2709 -7.2690 -7.2690 -6.9849 -6.9849 -6.9826 -6.9826 -0.0930 -0.0930 -0.0652 -0.0652 1.0358 1.0358 1.0855 1.0855 1.4647 1.4647 1.5567 1.5567 1.7334 1.7334 1.7762 1.7762 1.9092 1.9092 1.9931 1.9931 2.0910 2.0910 2.2049 2.2049 2.6475 2.6475 2.8003 2.8003 3.1958 3.1958 3.2867 3.2867 3.9483 3.9483 4.0116 4.0116 4.7971 4.7971 4.8365 4.8365 5.1362 5.1362 5.1619 5.1619 8.4648 8.4648 8.4863 8.4863 9.5705 9.5705 9.5865 9.5865 9.9649 9.9649 k = 0.5000 0.3918 0.4754 ( 6786 PWs) bands (ev): -7.2748 -7.2748 -7.2730 -7.2730 -6.9816 -6.9816 -6.9793 -6.9793 -0.0926 -0.0926 -0.0645 -0.0645 1.0451 1.0451 1.0965 1.0965 1.4666 1.4666 1.5618 1.5618 1.7274 1.7274 1.7729 1.7729 1.9220 1.9220 2.0135 2.0135 2.0990 2.0990 2.2190 2.2190 2.6576 2.6576 2.8036 2.8036 3.1812 3.1812 3.2696 3.2696 3.9219 3.9219 3.9870 3.9870 4.7845 4.7845 4.8248 4.8248 5.1208 5.1208 5.1468 5.1468 8.5066 8.5066 8.5287 8.5287 9.4896 9.4896 9.5055 9.5055 9.9535 9.9535 k = 0.5000 0.3918 0.4538 ( 6786 PWs) bands (ev): -7.2792 -7.2792 -7.2776 -7.2776 -6.9778 -6.9778 -6.9754 -6.9754 -0.0928 -0.0928 -0.0647 -0.0647 1.0548 1.0548 1.1075 1.1075 1.4683 1.4683 1.5664 1.5664 1.7208 1.7208 1.7682 1.7682 1.9365 1.9365 2.0347 2.0347 2.1082 2.1082 2.2336 2.2336 2.6681 2.6681 2.8070 2.8070 3.1659 3.1659 3.2516 3.2516 3.8991 3.8991 3.9654 3.9654 4.7717 4.7717 4.8128 4.8128 5.1059 5.1059 5.1319 5.1319 8.5463 8.5463 8.5692 8.5692 9.4113 9.4113 9.4268 9.4268 9.9322 9.9322 k = 0.5000 0.3918 0.4322 ( 6786 PWs) bands (ev): -7.2841 -7.2841 -7.2825 -7.2825 -6.9734 -6.9734 -6.9709 -6.9709 -0.0938 -0.0938 -0.0657 -0.0657 1.0647 1.0647 1.1183 1.1183 1.4698 1.4698 1.5704 1.5704 1.7136 1.7136 1.7622 1.7622 1.9527 1.9527 2.0563 2.0563 2.1185 2.1185 2.2487 2.2487 2.6791 2.6791 2.8105 2.8105 3.1498 3.1498 3.2326 3.2326 3.8809 3.8809 3.9475 3.9475 4.7588 4.7588 4.8006 4.8006 5.0915 5.0915 5.1175 5.1175 8.5822 8.5822 8.6060 8.6060 9.3374 9.3374 9.3528 9.3528 9.9029 9.9029 k = 0.5000 0.3918 0.4106 ( 6790 PWs) bands (ev): -7.2894 -7.2894 -7.2879 -7.2879 -6.9685 -6.9685 -6.9659 -6.9659 -0.0954 -0.0954 -0.0676 -0.0676 1.0746 1.0746 1.1287 1.1287 1.4714 1.4714 1.5737 1.5737 1.7059 1.7059 1.7551 1.7551 1.9703 1.9703 2.0781 2.0781 2.1299 2.1299 2.2640 2.2640 2.6904 2.6904 2.8139 2.8139 3.1327 3.1327 3.2123 3.2123 3.8679 3.8679 3.9338 3.9338 4.7456 4.7456 4.7881 4.7881 5.0775 5.0775 5.1034 5.1034 8.6123 8.6123 8.6374 8.6374 9.2695 9.2695 9.2859 9.2859 9.8675 9.8675 k = 0.5000 0.3918 0.3890 ( 6790 PWs) bands (ev): -7.2951 -7.2951 -7.2936 -7.2936 -6.9631 -6.9631 -6.9606 -6.9606 -0.0977 -0.0977 -0.0702 -0.0702 1.0845 1.0845 1.1386 1.1386 1.4730 1.4730 1.5763 1.5763 1.6979 1.6979 1.7471 1.7471 1.9892 1.9892 2.0997 2.0997 2.1426 2.1426 2.2794 2.2794 2.7019 2.7019 2.8172 2.8172 3.1147 3.1147 3.1908 3.1908 3.8606 3.8606 3.9250 3.9250 4.7323 4.7323 4.7755 4.7755 5.0638 5.0638 5.0896 5.0896 8.6341 8.6341 8.6607 8.6607 9.2098 9.2098 9.2287 9.2287 9.8280 9.8280 k = 0.5000 0.3918 0.3674 ( 6794 PWs) bands (ev): -7.3010 -7.3010 -7.2996 -7.2996 -6.9574 -6.9574 -6.9549 -6.9549 -0.1006 -0.1006 -0.0736 -0.0736 1.0941 1.0941 1.1478 1.1478 1.4748 1.4748 1.5781 1.5781 1.6897 1.6897 1.7386 1.7386 2.0092 2.0092 2.1204 2.1204 2.1570 2.1570 2.2947 2.2947 2.7134 2.7134 2.8205 2.8205 3.0957 3.0957 3.1680 3.1680 3.8594 3.8594 3.9214 3.9214 4.7188 4.7188 4.7627 4.7627 5.0503 5.0503 5.0762 5.0762 8.6448 8.6448 8.6733 8.6733 9.1606 9.1606 9.1836 9.1836 9.7862 9.7862 k = 0.5000 0.3918 0.3457 ( 6782 PWs) bands (ev): -7.3070 -7.3070 -7.3057 -7.3057 -6.9514 -6.9514 -6.9489 -6.9489 -0.1041 -0.1041 -0.0778 -0.0778 1.1032 1.1032 1.1562 1.1562 1.4770 1.4770 1.5791 1.5791 1.6814 1.6814 1.7299 1.7299 2.0300 2.0300 2.1394 2.1394 2.1737 2.1737 2.3098 2.3098 2.7249 2.7249 2.8235 2.8235 3.0758 3.0758 3.1438 3.1438 3.8644 3.8644 3.9232 3.9232 4.7051 4.7051 4.7498 4.7498 5.0368 5.0368 5.0631 5.0631 8.6426 8.6426 8.6727 8.6727 9.1243 9.1243 9.1515 9.1515 9.7437 9.7437 k = 0.5000 0.3918 0.3241 ( 6774 PWs) bands (ev): -7.3132 -7.3132 -7.3119 -7.3119 -6.9452 -6.9452 -6.9427 -6.9427 -0.1080 -0.1080 -0.0826 -0.0826 1.1119 1.1119 1.1638 1.1638 1.4795 1.4795 1.5791 1.5791 1.6730 1.6730 1.7214 1.7214 2.0515 2.0515 2.1563 2.1563 2.1928 2.1928 2.3244 2.3244 2.7363 2.7363 2.8263 2.8263 3.0551 3.0551 3.1186 3.1186 3.8754 3.8754 3.9306 3.9306 4.6913 4.6913 4.7370 4.7370 5.0231 5.0231 5.0502 5.0502 8.6278 8.6278 8.6585 8.6585 9.1009 9.1009 9.1315 9.1315 9.7020 9.7020 k = 0.5000 0.3918 0.3025 ( 6762 PWs) bands (ev): -7.3194 -7.3194 -7.3181 -7.3181 -6.9389 -6.9389 -6.9365 -6.9365 -0.1124 -0.1124 -0.0879 -0.0879 1.1199 1.1199 1.1703 1.1703 1.4825 1.4825 1.5782 1.5782 1.6646 1.6646 1.7134 1.7134 2.0732 2.0732 2.1716 2.1716 2.2138 2.2138 2.3386 2.3386 2.7472 2.7472 2.8287 2.8287 3.0338 3.0338 3.0927 3.0927 3.8920 3.8920 3.9433 3.9433 4.6774 4.6774 4.7242 4.7242 5.0093 5.0093 5.0374 5.0374 8.6028 8.6028 8.6328 8.6328 9.0878 9.0878 9.1200 9.1200 9.6625 9.6625 k = 0.5000 0.3918 0.2809 ( 6760 PWs) bands (ev): -7.3255 -7.3255 -7.3242 -7.3242 -6.9326 -6.9326 -6.9302 -6.9302 -0.1170 -0.1170 -0.0936 -0.0936 1.1272 1.1272 1.1757 1.1757 1.4858 1.4858 1.5763 1.5763 1.6562 1.6562 1.7063 1.7063 2.0948 2.0948 2.1858 2.1858 2.2358 2.2358 2.3522 2.3522 2.7575 2.7575 2.8304 2.8304 3.0121 3.0121 3.0668 3.0668 3.9140 3.9140 3.9612 3.9612 4.6635 4.6635 4.7115 4.7115 4.9950 4.9950 5.0248 5.0248 8.5712 8.5712 8.5994 8.5994 9.0804 9.0804 9.1126 9.1126 9.6264 9.6264 k = 0.5000 0.3918 0.2593 ( 6766 PWs) bands (ev): -7.3314 -7.3314 -7.3302 -7.3302 -6.9264 -6.9264 -6.9241 -6.9241 -0.1218 -0.1218 -0.0997 -0.0997 1.1338 1.1338 1.1801 1.1801 1.4896 1.4896 1.5736 1.5736 1.6480 1.6480 1.7002 1.7002 2.1161 2.1161 2.1996 2.1996 2.2580 2.2580 2.3657 2.3657 2.7667 2.7667 2.8312 2.8312 2.9900 2.9900 3.0417 3.0417 3.9406 3.9406 3.9837 3.9837 4.6495 4.6495 4.6991 4.6991 4.9803 4.9803 5.0120 5.0120 8.5365 8.5365 8.5624 8.5624 9.0739 9.0739 9.1047 9.1047 9.5951 9.5951 k = 0.5000 0.3918 0.2377 ( 6770 PWs) bands (ev): -7.3372 -7.3372 -7.3360 -7.3360 -6.9202 -6.9202 -6.9181 -6.9181 -0.1267 -0.1267 -0.1060 -0.1060 1.1397 1.1397 1.1835 1.1835 1.4935 1.4935 1.5702 1.5702 1.6401 1.6401 1.6950 1.6950 2.1363 2.1363 2.2134 2.2134 2.2798 2.2798 2.3793 2.3793 2.7738 2.7738 2.8311 2.8311 2.9678 2.9678 3.0183 3.0183 3.9713 3.9713 4.0103 4.0103 4.6355 4.6355 4.6868 4.6868 4.9651 4.9651 4.9990 4.9990 8.5014 8.5014 8.5248 8.5248 9.0647 9.0647 9.0931 9.0931 9.5693 9.5693 k = 0.5000 0.3918 0.2161 ( 6776 PWs) bands (ev): -7.3426 -7.3426 -7.3415 -7.3415 -6.9144 -6.9144 -6.9123 -6.9123 -0.1315 -0.1315 -0.1124 -0.1124 1.1450 1.1450 1.1858 1.1858 1.4974 1.4974 1.5662 1.5662 1.6330 1.6330 1.6906 1.6906 2.1551 2.1551 2.2273 2.2273 2.3007 2.3007 2.3938 2.3938 2.7773 2.7773 2.8301 2.8301 2.9459 2.9459 2.9980 2.9980 4.0055 4.0055 4.0404 4.0404 4.6216 4.6216 4.6748 4.6748 4.9494 4.9494 4.9857 4.9857 8.4680 8.4680 8.4890 8.4890 9.0504 9.0504 9.0758 9.0758 9.5492 9.5492 k = 0.5000 0.3918 0.1945 ( 6788 PWs) bands (ev): -7.3477 -7.3477 -7.3467 -7.3467 -6.9088 -6.9088 -6.9069 -6.9069 -0.1362 -0.1362 -0.1187 -0.1187 1.1496 1.1496 1.1872 1.1872 1.5012 1.5012 1.5618 1.5618 1.6271 1.6271 1.6868 1.6868 2.1721 2.1721 2.2409 2.2409 2.3207 2.3207 2.4098 2.4098 2.7755 2.7755 2.8284 2.8284 2.9253 2.9253 2.9814 2.9814 4.0423 4.0423 4.0731 4.0731 4.6078 4.6078 4.6630 4.6630 4.9334 4.9334 4.9720 4.9720 8.4377 8.4377 8.4563 8.4563 9.0301 9.0301 9.0524 9.0524 9.5344 9.5344 k = 0.5000 0.3918 0.1729 ( 6798 PWs) bands (ev): -7.3524 -7.3524 -7.3515 -7.3515 -6.9036 -6.9036 -6.9018 -6.9018 -0.1407 -0.1407 -0.1249 -0.1249 1.1537 1.1537 1.1879 1.1879 1.5044 1.5044 1.5571 1.5571 1.6228 1.6228 1.6833 1.6833 2.1871 2.1871 2.2534 2.2534 2.3401 2.3401 2.4278 2.4278 2.7672 2.7672 2.8245 2.8245 2.9082 2.9082 2.9687 2.9687 4.0812 4.0812 4.1076 4.1076 4.5943 4.5943 4.6513 4.6513 4.9173 4.9173 4.9578 4.9578 8.4113 8.4113 8.4278 8.4278 9.0042 9.0042 9.0233 9.0233 9.5238 9.5238 k = 0.5000 0.3918 0.1513 ( 6796 PWs) bands (ev): -7.3567 -7.3567 -7.3559 -7.3559 -6.8988 -6.8988 -6.8973 -6.8973 -0.1448 -0.1448 -0.1307 -0.1307 1.1573 1.1573 1.1878 1.1878 1.5071 1.5071 1.5520 1.5520 1.6205 1.6205 1.6799 1.6799 2.2003 2.2003 2.2639 2.2639 2.3599 2.3599 2.4478 2.4478 2.7529 2.7529 2.8155 2.8155 2.8980 2.8980 2.9596 2.9596 4.1210 4.1210 4.1431 4.1431 4.5812 4.5812 4.6395 4.6395 4.9013 4.9013 4.9431 4.9431 8.3892 8.3892 8.4038 8.4038 8.9738 8.9738 8.9902 8.9902 9.5162 9.5162 k = 0.5000 0.3918 0.1297 ( 6798 PWs) bands (ev): -7.3605 -7.3605 -7.3597 -7.3597 -6.8945 -6.8945 -6.8932 -6.8932 -0.1484 -0.1484 -0.1362 -0.1362 1.1606 1.1606 1.1871 1.1871 1.5092 1.5092 1.5468 1.5468 1.6204 1.6204 1.6764 1.6764 2.2119 2.2119 2.2714 2.2714 2.3810 2.3810 2.4691 2.4691 2.7343 2.7343 2.7997 2.7997 2.8954 2.8954 2.9531 2.9531 4.1609 4.1609 4.1787 4.1787 4.5685 4.5685 4.6273 4.6273 4.8862 4.8862 4.9281 4.9281 8.3718 8.3718 8.3847 8.3847 8.9408 8.9408 8.9549 8.9549 9.5103 9.5103 k = 0.5000 0.3918 0.1080 ( 6796 PWs) bands (ev): -7.3637 -7.3637 -7.3631 -7.3631 -6.8908 -6.8908 -6.8897 -6.8897 -0.1514 -0.1514 -0.1412 -0.1412 1.1637 1.1637 1.1860 1.1860 1.5108 1.5108 1.5415 1.5415 1.6223 1.6223 1.6726 1.6726 2.2223 2.2223 2.2756 2.2756 2.4038 2.4038 2.4910 2.4910 2.7130 2.7130 2.7792 2.7792 2.8981 2.8981 2.9482 2.9482 4.1995 4.1995 4.2133 4.2133 4.5567 4.5567 4.6143 4.6143 4.8726 4.8726 4.9130 4.9130 8.3590 8.3590 8.3702 8.3702 8.9073 8.9073 8.9194 8.9194 9.5055 9.5055 k = 0.5000 0.3918 0.0864 ( 6792 PWs) bands (ev): -7.3664 -7.3664 -7.3659 -7.3659 -6.8877 -6.8877 -6.8867 -6.8867 -0.1539 -0.1539 -0.1456 -0.1456 1.1665 1.1665 1.1845 1.1845 1.5122 1.5122 1.5363 1.5363 1.6257 1.6257 1.6684 1.6684 2.2318 2.2318 2.2768 2.2768 2.4282 2.4282 2.5122 2.5122 2.6910 2.6910 2.7564 2.7564 2.9033 2.9033 2.9442 2.9442 4.2352 4.2352 4.2460 4.2460 4.5463 4.5463 4.6003 4.6003 4.8614 4.8614 4.8981 4.8981 8.3504 8.3504 8.3598 8.3598 8.8757 8.8757 8.8859 8.8859 9.5012 9.5012 k = 0.5000 0.3918 0.0648 ( 6806 PWs) bands (ev): -7.3685 -7.3685 -7.3681 -7.3681 -6.8852 -6.8852 -6.8845 -6.8845 -0.1556 -0.1556 -0.1494 -0.1494 1.1691 1.1691 1.1827 1.1827 1.5135 1.5135 1.5314 1.5314 1.6304 1.6304 1.6637 1.6637 2.2405 2.2405 2.2756 2.2756 2.4536 2.4536 2.5304 2.5304 2.6710 2.6710 2.7327 2.7327 2.9095 2.9095 2.9405 2.9405 4.2664 4.2664 4.2753 4.2753 4.5381 4.5381 4.5852 4.5852 4.8533 4.8533 4.8840 4.8840 8.3454 8.3454 8.3529 8.3529 8.8483 8.8483 8.8564 8.8564 9.4975 9.4975 k = 0.5000 0.3918 0.0432 ( 6806 PWs) bands (ev): -7.3700 -7.3700 -7.3697 -7.3697 -6.8833 -6.8833 -6.8828 -6.8828 -0.1566 -0.1566 -0.1524 -0.1524 1.1716 1.1716 1.1807 1.1807 1.5151 1.5151 1.5269 1.5269 1.6358 1.6358 1.6586 1.6586 2.2484 2.2484 2.2725 2.2725 2.4792 2.4792 2.5414 2.5414 2.6576 2.6576 2.7091 2.7091 2.9158 2.9158 2.9366 2.9366 4.2914 4.2914 4.2987 4.2987 4.5337 4.5337 4.5694 4.5694 4.8491 4.8491 4.8713 4.8713 8.3432 8.3432 8.3485 8.3485 8.8273 8.8273 8.8330 8.8330 9.4946 9.4946 k = 0.5000 0.3918 0.0216 ( 6790 PWs) bands (ev): -7.3708 -7.3708 -7.3707 -7.3707 -6.8822 -6.8822 -6.8819 -6.8819 -0.1568 -0.1568 -0.1547 -0.1547 1.1740 1.1740 1.1786 1.1786 1.5172 1.5172 1.5231 1.5231 1.6416 1.6416 1.6532 1.6532 2.2557 2.2557 2.2680 2.2680 2.5040 2.5040 2.5399 2.5399 2.6565 2.6565 2.6869 2.6869 2.9219 2.9219 2.9323 2.9323 4.3087 4.3087 4.3132 4.3132 4.5347 4.5347 4.5543 4.5543 4.8491 4.8491 4.8607 4.8607 8.3429 8.3429 8.3457 8.3457 8.8145 8.8145 8.8174 8.8174 9.4929 9.4929 k = 0.5000 0.3918 0.0000 ( 6782 PWs) bands (ev): -7.3711 -7.3711 -7.3711 -7.3711 -6.8817 -6.8817 -6.8817 -6.8817 -0.1561 -0.1561 -0.1561 -0.1561 1.1764 1.1764 1.1764 1.1764 1.5198 1.5198 1.5198 1.5198 1.6474 1.6474 1.6474 1.6474 2.2623 2.2623 2.2623 2.2623 2.5256 2.5256 2.5256 2.5256 2.6680 2.6680 2.6680 2.6680 2.9274 2.9274 2.9274 2.9274 4.3165 4.3165 4.3165 4.3165 4.5419 4.5419 4.5419 4.5419 4.8531 4.8531 4.8531 4.8531 8.3439 8.3439 8.3439 8.3439 8.8111 8.8111 8.8111 8.8111 9.4926 9.4926 k = 0.0000 0.0000 0.8107 ( 6806 PWs) bands (ev): -7.2577 -7.2577 -7.2545 -7.2545 -6.9888 -6.9888 -6.9885 -6.9885 -0.1242 -0.1242 -0.1028 -0.1028 0.9821 0.9821 0.9866 0.9866 1.4338 1.4338 1.4918 1.4918 1.7384 1.7384 1.7622 1.7622 1.8520 1.8520 1.8547 1.8547 2.0576 2.0576 2.0882 2.0882 2.5820 2.5820 2.7767 2.7767 3.3251 3.3251 3.4310 3.4310 4.2762 4.2762 4.2950 4.2950 4.9273 4.9273 4.9340 4.9340 5.3341 5.3341 5.3447 5.3447 8.0784 8.0784 8.0961 8.0961 9.3474 9.3474 9.3726 9.3726 10.4653 10.4653 k = 0.0167 0.0131 0.8107 ( 6806 PWs) bands (ev): -7.2579 -7.2575 -7.2546 -7.2544 -6.9889 -6.9887 -6.9886 -6.9883 -0.1252 -0.1225 -0.1027 -0.1022 0.9790 0.9843 0.9858 0.9861 1.4295 1.4379 1.4839 1.4995 1.7347 1.7410 1.7583 1.7638 1.8340 1.8455 1.8613 1.8693 2.0498 2.0684 2.0872 2.0948 2.5741 2.5886 2.7752 2.7759 3.3267 3.3271 3.4288 3.4357 4.2760 4.2780 4.2949 4.2966 4.9260 4.9276 4.9304 4.9364 5.3313 5.3323 5.3422 5.3425 8.0812 8.0835 8.0991 8.1008 9.3454 9.3456 9.3706 9.3707 10.4634 10.4645 k = 0.0333 0.0261 0.8107 ( 6790 PWs) bands (ev): -7.2581 -7.2573 -7.2546 -7.2543 -6.9890 -6.9889 -6.9885 -6.9882 -0.1255 -0.1201 -0.1018 -0.1008 0.9749 0.9836 0.9843 0.9854 1.4250 1.4417 1.4761 1.5070 1.7302 1.7420 1.7523 1.7631 1.8164 1.8342 1.8658 1.8846 2.0461 2.0814 2.0915 2.1067 2.5652 2.5939 2.7713 2.7731 3.3322 3.3324 3.4292 3.4429 4.2775 4.2814 4.2964 4.2995 4.9237 4.9257 4.9270 4.9377 5.3243 5.3262 5.3351 5.3358 8.0916 8.0963 8.1099 8.1132 9.3395 9.3399 9.3647 9.3648 10.4590 10.4611 k = 0.0500 0.0392 0.8107 ( 6794 PWs) bands (ev): -7.2582 -7.2570 -7.2547 -7.2543 -6.9892 -6.9891 -6.9885 -6.9880 -0.1251 -0.1170 -0.1003 -0.0988 0.9699 0.9801 0.9813 0.9856 1.4205 1.4451 1.4681 1.5143 1.7252 1.7406 1.7443 1.7602 1.8006 1.8215 1.8688 1.8966 2.0472 2.0959 2.1003 2.1228 2.5556 2.5975 2.7648 2.7688 3.3405 3.3414 3.4323 3.4522 4.2808 4.2864 4.2993 4.3038 4.9199 4.9204 4.9254 4.9376 5.3132 5.3161 5.3238 5.3248 8.1096 8.1165 8.1282 8.1332 9.3296 9.3302 9.3548 9.3549 10.4526 10.4557 k = 0.0667 0.0522 0.8107 ( 6792 PWs) bands (ev): -7.2583 -7.2567 -7.2547 -7.2542 -6.9894 -6.9893 -6.9884 -6.9879 -0.1241 -0.1134 -0.0981 -0.0961 0.9641 0.9753 0.9772 0.9848 1.4161 1.4481 1.4603 1.5212 1.7199 1.7346 1.7358 1.7554 1.7883 1.8085 1.8710 1.9048 2.0534 2.1113 2.1125 2.1417 2.5457 2.5996 2.7558 2.7634 3.3508 3.3540 3.4378 3.4632 4.2860 4.2928 4.3038 4.3096 4.9129 4.9159 4.9226 4.9360 5.2988 5.3025 5.3089 5.3101 8.1346 8.1437 8.1534 8.1602 9.3155 9.3164 9.3405 9.3407 10.4450 10.4490 k = 0.0833 0.0653 0.8107 ( 6798 PWs) bands (ev): -7.2584 -7.2565 -7.2547 -7.2541 -6.9896 -6.9896 -6.9884 -6.9879 -0.1226 -0.1092 -0.0955 -0.0930 0.9576 0.9695 0.9722 0.9832 1.4119 1.4507 1.4525 1.5278 1.7146 1.7236 1.7273 1.7492 1.7803 1.7958 1.8729 1.9093 2.0645 2.1268 2.1272 2.1622 2.5360 2.6002 2.7446 2.7572 3.3628 3.3696 3.4453 3.4754 4.2930 4.3006 4.3100 4.3167 4.9045 4.9102 4.9186 4.9328 5.2819 5.2861 5.2911 5.2924 8.1661 8.1773 8.1851 8.1937 9.2969 9.2981 9.3217 9.3219 10.4369 10.4419 k = 0.1000 0.0784 0.8107 ( 6796 PWs) bands (ev): -7.2585 -7.2562 -7.2547 -7.2540 -6.9898 -6.9898 -6.9884 -6.9878 -0.1206 -0.1047 -0.0924 -0.0894 0.9508 0.9628 0.9665 0.9809 1.4079 1.4450 1.4528 1.5339 1.7094 1.7121 1.7162 1.7421 1.7758 1.7840 1.8748 1.9109 2.0792 2.1425 2.1429 2.1829 2.5268 2.5993 2.7313 2.7508 3.3756 3.3876 3.4544 3.4883 4.3019 4.3098 4.3179 4.3252 4.8947 4.9029 4.9131 4.9277 5.2632 5.2681 5.2713 5.2727 8.2034 8.2166 8.2225 8.2330 9.2739 9.2752 9.2982 9.2983 10.4296 10.4355 k = 0.1167 0.0914 0.8107 ( 6792 PWs) bands (ev): -7.2586 -7.2559 -7.2547 -7.2539 -6.9900 -6.9900 -6.9884 -6.9877 -0.1183 -0.0999 -0.0890 -0.0855 0.9437 0.9555 0.9604 0.9781 1.4044 1.4378 1.4545 1.5394 1.7006 1.7042 1.7047 1.7346 1.7731 1.7733 1.8769 1.9107 2.0963 2.1581 2.1587 2.2027 2.5189 2.5973 2.7162 2.7443 3.3889 3.4072 3.4646 3.5012 4.3126 4.3203 4.3273 4.3349 4.8834 4.8940 4.9060 4.9204 5.2438 5.2493 5.2506 5.2520 8.2457 8.2608 8.2648 8.2774 9.2463 9.2478 9.2698 9.2698 10.4238 10.4307 k = 0.1333 0.1045 0.8107 ( 6796 PWs) bands (ev): -7.2586 -7.2556 -7.2547 -7.2539 -6.9902 -6.9902 -6.9884 -6.9877 -0.1158 -0.0950 -0.0856 -0.0816 0.9367 0.9478 0.9540 0.9749 1.4014 1.4309 1.4557 1.5442 1.6900 1.6928 1.7004 1.7271 1.7631 1.7718 1.8790 1.9093 2.1147 2.1724 2.1748 2.2205 2.5130 2.5943 2.6997 2.7380 3.4018 3.4277 3.4754 3.5135 4.3249 4.3319 4.3381 4.3458 4.8707 4.8834 4.8972 4.9109 5.2246 5.2300 5.2309 5.2313 8.2918 8.3089 8.3111 8.3259 9.2143 9.2161 9.2366 9.2368 10.4204 10.4282 k = 0.1500 0.1175 0.8107 ( 6792 PWs) bands (ev): -7.2586 -7.2553 -7.2547 -7.2538 -6.9904 -6.9904 -6.9884 -6.9877 -0.1133 -0.0903 -0.0822 -0.0777 0.9299 0.9401 0.9476 0.9715 1.3990 1.4245 1.4566 1.5481 1.6808 1.6824 1.6969 1.7200 1.7539 1.7707 1.8812 1.9074 2.1337 2.1855 2.1901 2.2353 2.5099 2.5906 2.6819 2.7323 3.4141 3.4485 3.4862 3.5247 4.3384 4.3444 4.3502 4.3575 4.8570 4.8710 4.8867 4.8994 5.2066 5.2106 5.2117 5.2138 8.3408 8.3597 8.3602 8.3773 9.1785 9.1805 9.1991 9.1997 10.4197 10.4286 k = 0.1667 0.1306 0.8107 ( 6796 PWs) bands (ev): -7.2587 -7.2551 -7.2547 -7.2538 -6.9906 -6.9906 -6.9885 -6.9877 -0.1108 -0.0857 -0.0791 -0.0740 0.9238 0.9327 0.9416 0.9682 1.3972 1.4187 1.4572 1.5511 1.6735 1.6736 1.6940 1.7135 1.7456 1.7699 1.8833 1.9052 2.1525 2.1971 2.2042 2.2461 2.5102 2.5865 2.6633 2.7271 3.4252 3.4686 3.4963 3.5341 4.3525 4.3574 4.3628 4.3695 4.8427 4.8572 4.8749 4.8862 5.1906 5.1932 5.1941 5.1988 8.3911 8.4108 8.4118 8.4305 9.1399 9.1419 9.1582 9.1593 10.4220 10.4319 k = 0.1833 0.1436 0.8107 ( 6802 PWs) bands (ev): -7.2587 -7.2548 -7.2547 -7.2538 -6.9907 -6.9907 -6.9885 -6.9877 -0.1086 -0.0816 -0.0763 -0.0708 0.9185 0.9259 0.9363 0.9651 1.3961 1.4134 1.4575 1.5531 1.6663 1.6681 1.6920 1.7076 1.7383 1.7692 1.8855 1.9030 2.1709 2.2069 2.2166 2.2522 2.5145 2.5825 2.6440 2.7228 3.4347 3.4876 3.5054 3.5412 4.3665 4.3704 4.3755 4.3811 4.8287 4.8427 4.8625 4.8723 5.1769 5.1786 5.1792 5.1864 8.4408 8.4611 8.4633 8.4835 9.1000 9.1021 9.1154 9.1172 10.4267 10.4376 k = 0.2000 0.1567 0.8107 ( 6786 PWs) bands (ev): -7.2587 -7.2546 -7.2546 -7.2538 -6.9909 -6.9908 -6.9885 -6.9876 -0.1067 -0.0781 -0.0742 -0.0680 0.9143 0.9200 0.9318 0.9625 1.3957 1.4088 1.4576 1.5544 1.6607 1.6646 1.6909 1.7026 1.7322 1.7687 1.8877 1.9007 2.1885 2.2147 2.2268 2.2535 2.5229 2.5789 2.6244 2.7193 3.4425 3.5046 3.5130 3.5456 4.3794 4.3826 4.3872 4.3915 4.8163 4.8284 4.8506 4.8590 5.1662 5.1670 5.1674 5.1768 8.4873 8.5086 8.5116 8.5340 9.0612 9.0633 9.0729 9.0756 10.4332 10.4448 k = 0.2167 0.1698 0.8107 ( 6780 PWs) bands (ev): -7.2587 -7.2546 -7.2544 -7.2539 -6.9909 -6.9909 -6.9885 -6.9876 -0.1053 -0.0753 -0.0727 -0.0660 0.9114 0.9153 0.9284 0.9605 1.3960 1.4048 1.4576 1.5550 1.6567 1.6627 1.6906 1.6984 1.7276 1.7683 1.8898 1.8985 2.2049 2.2205 2.2344 2.2502 2.5350 2.5760 2.6048 2.7168 3.4481 3.5186 3.5192 3.5469 4.3898 4.3930 4.3968 4.3995 4.8068 4.8158 4.8405 4.8479 5.1584 5.1588 5.1590 5.1701 8.5269 8.5497 8.5527 8.5778 9.0275 9.0293 9.0347 9.0383 10.4402 10.4494 k = 0.2333 0.1828 0.8107 ( 6772 PWs) bands (ev): -7.2587 -7.2546 -7.2542 -7.2539 -6.9910 -6.9910 -6.9885 -6.9876 -0.1044 -0.0734 -0.0720 -0.0647 0.9100 0.9120 0.9263 0.9592 1.3971 1.4015 1.4576 1.5552 1.6543 1.6617 1.6912 1.6951 1.7246 1.7681 1.8919 1.8962 2.2198 2.2239 2.2391 2.2430 2.5499 2.5741 2.5855 2.7153 3.4516 3.5221 3.5310 3.5450 4.3968 4.4006 4.4031 4.4040 4.8016 4.8064 4.8337 4.8403 5.1537 5.1538 5.1540 5.1661 8.5544 8.5791 8.5810 8.6092 9.0045 9.0051 9.0068 9.0103 10.4463 10.4511 k = 0.2500 0.1959 0.8107 ( 6788 PWs) bands (ev): -7.2587 -7.2546 -7.2541 -7.2541 -6.9910 -6.9910 -6.9885 -6.9876 -0.1041 -0.0722 -0.0722 -0.0643 0.9102 0.9102 0.9256 0.9588 1.3990 1.3990 1.4576 1.5553 1.6535 1.6615 1.6927 1.6927 1.7235 1.7680 1.8941 1.8941 2.2251 2.2326 2.2326 2.2407 2.5670 2.5670 2.5735 2.7147 3.4527 3.5233 3.5396 3.5396 4.3992 4.4044 4.4044 4.4053 4.8014 4.8014 4.8313 4.8377 5.1522 5.1522 5.1523 5.1647 8.5645 8.5906 8.5906 8.6209 8.9962 8.9962 8.9979 8.9979 10.4502 10.4502 Writing output data file AlAgSe2.save init_run : 3.11s CPU 13.18s WALL ( 1 calls) electrons : 1221.33s CPU 1229.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.28s CPU 1.36s WALL ( 1 calls) Called by electrons: c_bands : 1221.27s CPU 1229.33s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.91s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.11s CPU 0.64s WALL ( 1 calls) newd : 0.46s CPU 0.57s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.16s WALL ( 268 calls) cegterg : 1132.39s CPU 1137.74s WALL ( 740 calls) Called by sum_band: Called by *egterg: h_psi : 614.08s CPU 622.24s WALL ( 13000 calls) s_psi : 41.60s CPU 42.08s WALL ( 13000 calls) g_psi : 1.03s CPU 1.15s WALL ( 11992 calls) cdiaghg : 356.96s CPU 354.53s WALL ( 12260 calls) cegterg:over : 79.58s CPU 76.53s WALL ( 11992 calls) cegterg:upda : 23.92s CPU 27.42s WALL ( 11992 calls) cegterg:last : 18.71s CPU 19.45s WALL ( 1808 calls) Called by h_psi: h_psi:vloc : 527.21s CPU 533.71s WALL ( 13000 calls) h_psi:vnl : 86.24s CPU 87.37s WALL ( 13000 calls) add_vuspsi : 31.26s CPU 35.35s WALL ( 13000 calls) General routines calbec : 54.93s CPU 51.92s WALL ( 13000 calls) fft : 0.22s CPU 1.15s WALL ( 15 calls) fftw : 503.77s CPU 507.80s WALL ( 1266092 calls) davcio : 0.04s CPU 2.61s WALL ( 536 calls) Parallel routines fft_scatter : 284.54s CPU 285.47s WALL ( 1266107 calls) PWSCF : 21m28.60s CPU 24m 4.39s WALL This run was terminated on: 8:21:57 8Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=