Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:10:51 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./RbS.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 75 46 13 1953 938 146 Max 76 47 14 1956 952 148 Sum 2701 1669 485 70353 34089 5283 bravais-lattice index = 14 lattice parameter (alat) = 11.4514 a.u. unit-cell volume = 1000.1530 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 259.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.451366 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.660414 celldm(5)= -0.359792 celldm(6)= 0.020205 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.020205 0.999796 0.000000 ) a(3) = ( -0.359792 -0.653277 0.666167 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.020209 0.520274 ) b(2) = ( 0.000000 1.000204 0.980851 ) b(3) = ( 0.000000 0.000000 1.501125 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Rb 9.00 85.46780 Rb( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 327 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( -0.0079337 0.0080956 0.0155635), wk = 0.0030581 k( 3) = ( -0.0158674 0.0161913 0.0311271), wk = 0.0030581 k( 4) = ( -0.0238011 0.0242869 0.0466906), wk = 0.0030581 k( 5) = ( -0.0317348 0.0323826 0.0622542), wk = 0.0030581 k( 6) = ( -0.0396685 0.0404782 0.0778177), wk = 0.0030581 k( 7) = ( -0.0476022 0.0485739 0.0933813), wk = 0.0030581 k( 8) = ( -0.0555359 0.0566695 0.1089448), wk = 0.0030581 k( 9) = ( -0.0634696 0.0647652 0.1245084), wk = 0.0030581 k( 10) = ( -0.0714033 0.0728608 0.1400719), wk = 0.0030581 k( 11) = ( -0.0793370 0.0809565 0.1556355), wk = 0.0030581 k( 12) = ( -0.0872706 0.0890521 0.1711990), wk = 0.0030581 k( 13) = ( -0.0952043 0.0971478 0.1867626), wk = 0.0030581 k( 14) = ( -0.1031380 0.1052434 0.2023261), wk = 0.0030581 k( 15) = ( -0.1110717 0.1133391 0.2178897), wk = 0.0030581 k( 16) = ( -0.1190054 0.1214348 0.2334532), wk = 0.0030581 k( 17) = ( -0.1269391 0.1295304 0.2490167), wk = 0.0030581 k( 18) = ( -0.1348728 0.1376261 0.2645803), wk = 0.0030581 k( 19) = ( -0.1428065 0.1457217 0.2801438), wk = 0.0030581 k( 20) = ( -0.1507402 0.1538174 0.2957074), wk = 0.0030581 k( 21) = ( -0.1586739 0.1619130 0.3112709), wk = 0.0030581 k( 22) = ( -0.1666076 0.1700087 0.3268345), wk = 0.0030581 k( 23) = ( -0.1745413 0.1781043 0.3423980), wk = 0.0030581 k( 24) = ( -0.1824750 0.1862000 0.3579616), wk = 0.0030581 k( 25) = ( -0.1904087 0.1942956 0.3735251), wk = 0.0030581 k( 26) = ( -0.1983424 0.2023913 0.3890887), wk = 0.0030581 k( 27) = ( -0.2062761 0.2104869 0.4046522), wk = 0.0030581 k( 28) = ( -0.2142098 0.2185826 0.4202157), wk = 0.0030581 k( 29) = ( -0.2221435 0.2266782 0.4357793), wk = 0.0030581 k( 30) = ( -0.2300772 0.2347739 0.4513428), wk = 0.0030581 k( 31) = ( -0.2380108 0.2428695 0.4669064), wk = 0.0030581 k( 32) = ( -0.2459445 0.2509652 0.4824699), wk = 0.0030581 k( 33) = ( -0.2538782 0.2590608 0.4980335), wk = 0.0030581 k( 34) = ( -0.2618119 0.2671565 0.5135970), wk = 0.0030581 k( 35) = ( -0.2697456 0.2752521 0.5291606), wk = 0.0030581 k( 36) = ( -0.2776793 0.2833478 0.5447241), wk = 0.0030581 k( 37) = ( -0.2856130 0.2914434 0.5602877), wk = 0.0030581 k( 38) = ( -0.2935467 0.2995391 0.5758512), wk = 0.0030581 k( 39) = ( -0.3014804 0.3076347 0.5914148), wk = 0.0030581 k( 40) = ( -0.3094141 0.3157304 0.6069783), wk = 0.0030581 k( 41) = ( -0.3173478 0.3238260 0.6225419), wk = 0.0030581 k( 42) = ( -0.3252815 0.3319217 0.6381054), wk = 0.0030581 k( 43) = ( -0.3332152 0.3400173 0.6536690), wk = 0.0030581 k( 44) = ( -0.3332152 0.3400173 0.6536690), wk = 0.0030581 k( 45) = ( -0.3228688 0.3294597 0.6644349), wk = 0.0030581 k( 46) = ( -0.3125224 0.3189021 0.6752008), wk = 0.0030581 k( 47) = ( -0.3021759 0.3083444 0.6859668), wk = 0.0030581 k( 48) = ( -0.2918295 0.2977868 0.6967327), wk = 0.0030581 k( 49) = ( -0.2814831 0.2872292 0.7074986), wk = 0.0030581 k( 50) = ( -0.2711367 0.2766716 0.7182646), wk = 0.0030581 k( 51) = ( -0.2607903 0.2661139 0.7290305), wk = 0.0030581 k( 52) = ( -0.2504439 0.2555563 0.7397964), wk = 0.0030581 k( 53) = ( -0.2400974 0.2449987 0.7505624), wk = 0.0030581 k( 54) = ( -0.2400974 0.2449987 0.7505624), wk = 0.0030581 k( 55) = ( -0.2267587 0.2313877 0.7505624), wk = 0.0030581 k( 56) = ( -0.2134199 0.2177766 0.7505624), wk = 0.0030581 k( 57) = ( -0.2000812 0.2041656 0.7505624), wk = 0.0030581 k( 58) = ( -0.1867425 0.1905545 0.7505624), wk = 0.0030581 k( 59) = ( -0.1734037 0.1769435 0.7505624), wk = 0.0030581 k( 60) = ( -0.1600650 0.1633325 0.7505624), wk = 0.0030581 k( 61) = ( -0.1467262 0.1497214 0.7505624), wk = 0.0030581 k( 62) = ( -0.1333875 0.1361104 0.7505624), wk = 0.0030581 k( 63) = ( -0.1200487 0.1224993 0.7505624), wk = 0.0030581 k( 64) = ( -0.1067100 0.1088883 0.7505624), wk = 0.0030581 k( 65) = ( -0.0933712 0.0952773 0.7505624), wk = 0.0030581 k( 66) = ( -0.0800325 0.0816662 0.7505624), wk = 0.0030581 k( 67) = ( -0.0666937 0.0680552 0.7505624), wk = 0.0030581 k( 68) = ( -0.0533550 0.0544442 0.7505624), wk = 0.0030581 k( 69) = ( -0.0400162 0.0408331 0.7505624), wk = 0.0030581 k( 70) = ( -0.0266775 0.0272221 0.7505624), wk = 0.0030581 k( 71) = ( -0.0133387 0.0136110 0.7505624), wk = 0.0030581 k( 72) = ( 0.0000000 0.0000000 0.7505624), wk = 0.0030581 k( 73) = ( 0.0000000 0.0000000 0.7505624), wk = 0.0030581 k( 74) = ( 0.0131579 0.0128947 0.7505624), wk = 0.0030581 k( 75) = ( 0.0263158 0.0257893 0.7505624), wk = 0.0030581 k( 76) = ( 0.0394737 0.0386840 0.7505624), wk = 0.0030581 k( 77) = ( 0.0526316 0.0515787 0.7505624), wk = 0.0030581 k( 78) = ( 0.0657895 0.0644733 0.7505624), wk = 0.0030581 k( 79) = ( 0.0789474 0.0773680 0.7505624), wk = 0.0030581 k( 80) = ( 0.0921053 0.0902627 0.7505624), wk = 0.0030581 k( 81) = ( 0.1052632 0.1031573 0.7505624), wk = 0.0030581 k( 82) = ( 0.1184210 0.1160520 0.7505624), wk = 0.0030581 k( 83) = ( 0.1315790 0.1289467 0.7505624), wk = 0.0030581 k( 84) = ( 0.1447368 0.1418413 0.7505624), wk = 0.0030581 k( 85) = ( 0.1578947 0.1547360 0.7505624), wk = 0.0030581 k( 86) = ( 0.1710526 0.1676307 0.7505624), wk = 0.0030581 k( 87) = ( 0.1842105 0.1805254 0.7505624), wk = 0.0030581 k( 88) = ( 0.1973684 0.1934200 0.7505624), wk = 0.0030581 k( 89) = ( 0.2105263 0.2063147 0.7505624), wk = 0.0030581 k( 90) = ( 0.2236842 0.2192094 0.7505624), wk = 0.0030581 k( 91) = ( 0.2368421 0.2321040 0.7505624), wk = 0.0030581 k( 92) = ( 0.2500000 0.2449987 0.7505624), wk = 0.0030581 k( 93) = ( 0.2500000 0.2449987 0.7505624), wk = 0.0030581 k( 94) = ( 0.2391304 0.2560901 0.7392521), wk = 0.0030581 k( 95) = ( 0.2282609 0.2671816 0.7279418), wk = 0.0030581 k( 96) = ( 0.2173913 0.2782731 0.7166315), wk = 0.0030581 k( 97) = ( 0.2065217 0.2893645 0.7053212), wk = 0.0030581 k( 98) = ( 0.1956522 0.3004560 0.6940109), wk = 0.0030581 k( 99) = ( 0.1847826 0.3115474 0.6827006), wk = 0.0030581 k( 100) = ( 0.1739130 0.3226389 0.6713903), wk = 0.0030581 k( 101) = ( 0.1630435 0.3337303 0.6600800), wk = 0.0030581 k( 102) = ( 0.1521739 0.3448218 0.6487697), wk = 0.0030581 k( 103) = ( 0.1413043 0.3559132 0.6374594), wk = 0.0030581 k( 104) = ( 0.1304348 0.3670047 0.6261491), wk = 0.0030581 k( 105) = ( 0.1195652 0.3780961 0.6148388), wk = 0.0030581 k( 106) = ( 0.1086957 0.3891876 0.6035285), wk = 0.0030581 k( 107) = ( 0.0978261 0.4002790 0.5922182), wk = 0.0030581 k( 108) = ( 0.0869565 0.4113705 0.5809079), wk = 0.0030581 k( 109) = ( 0.0760870 0.4224619 0.5695976), wk = 0.0030581 k( 110) = ( 0.0652174 0.4335534 0.5582873), wk = 0.0030581 k( 111) = ( 0.0543478 0.4446448 0.5469770), wk = 0.0030581 k( 112) = ( 0.0434783 0.4557363 0.5356667), wk = 0.0030581 k( 113) = ( 0.0326087 0.4668277 0.5243564), wk = 0.0030581 k( 114) = ( 0.0217391 0.4779192 0.5130461), wk = 0.0030581 k( 115) = ( 0.0108696 0.4890106 0.5017358), wk = 0.0030581 k( 116) = ( 0.0000000 0.5001021 0.4904255), wk = 0.0030581 k( 117) = ( 0.0000000 0.5001021 0.4904255), wk = 0.0030581 k( 118) = ( 0.0158674 0.5077252 0.4826520), wk = 0.0030581 k( 119) = ( 0.0317348 0.5153483 0.4748785), wk = 0.0030581 k( 120) = ( 0.0476022 0.5229713 0.4671050), wk = 0.0030581 k( 121) = ( 0.0634696 0.5305944 0.4593316), wk = 0.0030581 k( 122) = ( 0.0793370 0.5382175 0.4515581), wk = 0.0030581 k( 123) = ( 0.0952043 0.5458406 0.4437846), wk = 0.0030581 k( 124) = ( 0.1110717 0.5534637 0.4360111), wk = 0.0030581 k( 125) = ( 0.1269391 0.5610868 0.4282376), wk = 0.0030581 k( 126) = ( 0.1428065 0.5687099 0.4204641), wk = 0.0030581 k( 127) = ( 0.1586739 0.5763329 0.4126906), wk = 0.0030581 k( 128) = ( 0.1745413 0.5839560 0.4049171), wk = 0.0030581 k( 129) = ( 0.1904087 0.5915791 0.3971436), wk = 0.0030581 k( 130) = ( 0.2062761 0.5992022 0.3893701), wk = 0.0030581 k( 131) = ( 0.2221435 0.6068253 0.3815966), wk = 0.0030581 k( 132) = ( 0.2380108 0.6144484 0.3738231), wk = 0.0030581 k( 133) = ( 0.2538782 0.6220715 0.3660496), wk = 0.0030581 k( 134) = ( 0.2697456 0.6296945 0.3582761), wk = 0.0030581 k( 135) = ( 0.2856130 0.6373176 0.3505026), wk = 0.0030581 k( 136) = ( 0.3014804 0.6449407 0.3427291), wk = 0.0030581 k( 137) = ( 0.3173478 0.6525638 0.3349556), wk = 0.0030581 k( 138) = ( 0.3332152 0.6601869 0.3271821), wk = 0.0030581 k( 139) = ( 0.3332152 0.6601869 0.3271821), wk = 0.0030581 k( 140) = ( 0.3411573 0.6520826 0.3116020), wk = 0.0030581 k( 141) = ( 0.3490994 0.6439784 0.2960219), wk = 0.0030581 k( 142) = ( 0.3570416 0.6358741 0.2804418), wk = 0.0030581 k( 143) = ( 0.3649837 0.6277698 0.2648617), wk = 0.0030581 k( 144) = ( 0.3729259 0.6196656 0.2492816), wk = 0.0030581 k( 145) = ( 0.3808680 0.6115613 0.2337015), wk = 0.0030581 k( 146) = ( 0.3888101 0.6034571 0.2181214), wk = 0.0030581 k( 147) = ( 0.3967523 0.5953528 0.2025413), wk = 0.0030581 k( 148) = ( 0.4046944 0.5872485 0.1869612), wk = 0.0030581 k( 149) = ( 0.4126365 0.5791443 0.1713811), wk = 0.0030581 k( 150) = ( 0.4205787 0.5710400 0.1558010), wk = 0.0030581 k( 151) = ( 0.4285208 0.5629357 0.1402209), wk = 0.0030581 k( 152) = ( 0.4364629 0.5548315 0.1246408), wk = 0.0030581 k( 153) = ( 0.4444051 0.5467272 0.1090607), wk = 0.0030581 k( 154) = ( 0.4523472 0.5386230 0.0934806), wk = 0.0030581 k( 155) = ( 0.4602893 0.5305187 0.0779005), wk = 0.0030581 k( 156) = ( 0.4682315 0.5224144 0.0623204), wk = 0.0030581 k( 157) = ( 0.4761736 0.5143102 0.0467403), wk = 0.0030581 k( 158) = ( 0.4841157 0.5062059 0.0311602), wk = 0.0030581 k( 159) = ( 0.4920579 0.4981016 0.0155801), wk = 0.0030581 k( 160) = ( 0.5000000 0.4899974 -0.0000000), wk = 0.0030581 k( 161) = ( 0.5000000 0.4899974 -0.0000000), wk = 0.0030581 k( 162) = ( 0.4864865 0.4767542 -0.0000000), wk = 0.0030581 k( 163) = ( 0.4729730 0.4635110 -0.0000000), wk = 0.0030581 k( 164) = ( 0.4594595 0.4502679 -0.0000000), wk = 0.0030581 k( 165) = ( 0.4459459 0.4370247 -0.0000000), wk = 0.0030581 k( 166) = ( 0.4324324 0.4237815 -0.0000000), wk = 0.0030581 k( 167) = ( 0.4189189 0.4105384 -0.0000000), wk = 0.0030581 k( 168) = ( 0.4054054 0.3972952 -0.0000000), wk = 0.0030581 k( 169) = ( 0.3918919 0.3840520 -0.0000000), wk = 0.0030581 k( 170) = ( 0.3783784 0.3708088 -0.0000000), wk = 0.0030581 k( 171) = ( 0.3648649 0.3575657 -0.0000000), wk = 0.0030581 k( 172) = ( 0.3513514 0.3443225 -0.0000000), wk = 0.0030581 k( 173) = ( 0.3378378 0.3310793 -0.0000000), wk = 0.0030581 k( 174) = ( 0.3243243 0.3178361 -0.0000000), wk = 0.0030581 k( 175) = ( 0.3108108 0.3045930 -0.0000000), wk = 0.0030581 k( 176) = ( 0.2972973 0.2913498 -0.0000000), wk = 0.0030581 k( 177) = ( 0.2837838 0.2781066 -0.0000000), wk = 0.0030581 k( 178) = ( 0.2702703 0.2648635 -0.0000000), wk = 0.0030581 k( 179) = ( 0.2567568 0.2516203 -0.0000000), wk = 0.0030581 k( 180) = ( 0.2432432 0.2383771 -0.0000000), wk = 0.0030581 k( 181) = ( 0.2297297 0.2251339 -0.0000000), wk = 0.0030581 k( 182) = ( 0.2162162 0.2118908 -0.0000000), wk = 0.0030581 k( 183) = ( 0.2027027 0.1986476 -0.0000000), wk = 0.0030581 k( 184) = ( 0.1891892 0.1854044 -0.0000000), wk = 0.0030581 k( 185) = ( 0.1756757 0.1721612 -0.0000000), wk = 0.0030581 k( 186) = ( 0.1621622 0.1589181 -0.0000000), wk = 0.0030581 k( 187) = ( 0.1486486 0.1456749 -0.0000000), wk = 0.0030581 k( 188) = ( 0.1351351 0.1324317 -0.0000000), wk = 0.0030581 k( 189) = ( 0.1216216 0.1191886 -0.0000000), wk = 0.0030581 k( 190) = ( 0.1081081 0.1059454 -0.0000000), wk = 0.0030581 k( 191) = ( 0.0945946 0.0927022 -0.0000000), wk = 0.0030581 k( 192) = ( 0.0810811 0.0794590 -0.0000000), wk = 0.0030581 k( 193) = ( 0.0675676 0.0662159 -0.0000000), wk = 0.0030581 k( 194) = ( 0.0540540 0.0529727 -0.0000000), wk = 0.0030581 k( 195) = ( 0.0405405 0.0397295 -0.0000000), wk = 0.0030581 k( 196) = ( 0.0270270 0.0264863 -0.0000000), wk = 0.0030581 k( 197) = ( 0.0135135 0.0132432 -0.0000000), wk = 0.0030581 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 200) = ( 0.0107074 -0.0109260 0.0111416), wk = 0.0030581 k( 201) = ( 0.0214149 -0.0218520 0.0222832), wk = 0.0030581 k( 202) = ( 0.0321223 -0.0327780 0.0334248), wk = 0.0030581 k( 203) = ( 0.0428297 -0.0437040 0.0445663), wk = 0.0030581 k( 204) = ( 0.0535371 -0.0546300 0.0557079), wk = 0.0030581 k( 205) = ( 0.0642446 -0.0655560 0.0668495), wk = 0.0030581 k( 206) = ( 0.0749520 -0.0764820 0.0779911), wk = 0.0030581 k( 207) = ( 0.0856594 -0.0874080 0.0891327), wk = 0.0030581 k( 208) = ( 0.0963669 -0.0983340 0.1002743), wk = 0.0030581 k( 209) = ( 0.1070743 -0.1092601 0.1114159), wk = 0.0030581 k( 210) = ( 0.1177817 -0.1201860 0.1225574), wk = 0.0030581 k( 211) = ( 0.1284891 -0.1311121 0.1336990), wk = 0.0030581 k( 212) = ( 0.1391966 -0.1420381 0.1448406), wk = 0.0030581 k( 213) = ( 0.1499040 -0.1529641 0.1559822), wk = 0.0030581 k( 214) = ( 0.1606114 -0.1638901 0.1671238), wk = 0.0030581 k( 215) = ( 0.1713188 -0.1748161 0.1782654), wk = 0.0030581 k( 216) = ( 0.1820263 -0.1857421 0.1894070), wk = 0.0030581 k( 217) = ( 0.1927337 -0.1966681 0.2005485), wk = 0.0030581 k( 218) = ( 0.2034411 -0.2075941 0.2116901), wk = 0.0030581 k( 219) = ( 0.2141485 -0.2185201 0.2228317), wk = 0.0030581 k( 220) = ( 0.2248560 -0.2294461 0.2339733), wk = 0.0030581 k( 221) = ( 0.2355634 -0.2403721 0.2451149), wk = 0.0030581 k( 222) = ( 0.2462708 -0.2512981 0.2562565), wk = 0.0030581 k( 223) = ( 0.2569783 -0.2622241 0.2673980), wk = 0.0030581 k( 224) = ( 0.2676857 -0.2731501 0.2785396), wk = 0.0030581 k( 225) = ( 0.2783931 -0.2840761 0.2896812), wk = 0.0030581 k( 226) = ( 0.2891006 -0.2950021 0.3008228), wk = 0.0030581 k( 227) = ( 0.2998080 -0.3059281 0.3119644), wk = 0.0030581 k( 228) = ( 0.3105154 -0.3168541 0.3231060), wk = 0.0030581 k( 229) = ( 0.3212228 -0.3277801 0.3342476), wk = 0.0030581 k( 230) = ( 0.3319303 -0.3387062 0.3453891), wk = 0.0030581 k( 231) = ( 0.3426377 -0.3496322 0.3565307), wk = 0.0030581 k( 232) = ( 0.3533451 -0.3605582 0.3676723), wk = 0.0030581 k( 233) = ( 0.3640525 -0.3714842 0.3788139), wk = 0.0030581 k( 234) = ( 0.3747600 -0.3824102 0.3899555), wk = 0.0030581 k( 235) = ( 0.3854674 -0.3933362 0.4010971), wk = 0.0030581 k( 236) = ( 0.3961748 -0.4042622 0.4122387), wk = 0.0030581 k( 237) = ( 0.4068823 -0.4151882 0.4233802), wk = 0.0030581 k( 238) = ( 0.4068823 -0.4151882 0.4233802), wk = 0.0030581 k( 239) = ( 0.4107622 -0.3983097 0.4165784), wk = 0.0030581 k( 240) = ( 0.4146421 -0.3814312 0.4097766), wk = 0.0030581 k( 241) = ( 0.4185220 -0.3645528 0.4029748), wk = 0.0030581 k( 242) = ( 0.4224019 -0.3476743 0.3961730), wk = 0.0030581 k( 243) = ( 0.4262818 -0.3307958 0.3893712), wk = 0.0030581 k( 244) = ( 0.4301617 -0.3139173 0.3825694), wk = 0.0030581 k( 245) = ( 0.4340416 -0.2970388 0.3757676), wk = 0.0030581 k( 246) = ( 0.4379215 -0.2801604 0.3689658), wk = 0.0030581 k( 247) = ( 0.4418014 -0.2632819 0.3621640), wk = 0.0030581 k( 248) = ( 0.4456813 -0.2464034 0.3553622), wk = 0.0030581 k( 249) = ( 0.4495612 -0.2295249 0.3485603), wk = 0.0030581 k( 250) = ( 0.4534411 -0.2126465 0.3417585), wk = 0.0030581 k( 251) = ( 0.4573210 -0.1957680 0.3349567), wk = 0.0030581 k( 252) = ( 0.4612009 -0.1788895 0.3281549), wk = 0.0030581 k( 253) = ( 0.4650808 -0.1620110 0.3213531), wk = 0.0030581 k( 254) = ( 0.4689607 -0.1451325 0.3145513), wk = 0.0030581 k( 255) = ( 0.4728407 -0.1282541 0.3077495), wk = 0.0030581 k( 256) = ( 0.4767206 -0.1113756 0.3009477), wk = 0.0030581 k( 257) = ( 0.4806005 -0.0944971 0.2941459), wk = 0.0030581 k( 258) = ( 0.4844804 -0.0776186 0.2873441), wk = 0.0030581 k( 259) = ( 0.4883603 -0.0607401 0.2805423), wk = 0.0030581 k( 260) = ( 0.4922402 -0.0438617 0.2737405), wk = 0.0030581 k( 261) = ( 0.4961201 -0.0269832 0.2669386), wk = 0.0030581 k( 262) = ( 0.5000000 -0.0101047 0.2601368), wk = 0.0030581 k( 263) = ( 0.5000000 -0.0101047 0.2601368), wk = 0.0030581 k( 264) = ( 0.4921875 -0.0021327 0.2754626), wk = 0.0030581 k( 265) = ( 0.4843750 0.0058393 0.2907884), wk = 0.0030581 k( 266) = ( 0.4765625 0.0138112 0.3061142), wk = 0.0030581 k( 267) = ( 0.4687500 0.0217832 0.3214400), wk = 0.0030581 k( 268) = ( 0.4609375 0.0297552 0.3367658), wk = 0.0030581 k( 269) = ( 0.4531250 0.0377272 0.3520916), wk = 0.0030581 k( 270) = ( 0.4453125 0.0456992 0.3674174), wk = 0.0030581 k( 271) = ( 0.4375000 0.0536711 0.3827432), wk = 0.0030581 k( 272) = ( 0.4296875 0.0616431 0.3980690), wk = 0.0030581 k( 273) = ( 0.4218750 0.0696151 0.4133948), wk = 0.0030581 k( 274) = ( 0.4140625 0.0775871 0.4287206), wk = 0.0030581 k( 275) = ( 0.4062500 0.0855591 0.4440464), wk = 0.0030581 k( 276) = ( 0.3984375 0.0935310 0.4593722), wk = 0.0030581 k( 277) = ( 0.3906250 0.1015030 0.4746980), wk = 0.0030581 k( 278) = ( 0.3828125 0.1094750 0.4900238), wk = 0.0030581 k( 279) = ( 0.3750000 0.1174470 0.5053496), wk = 0.0030581 k( 280) = ( 0.3671875 0.1254190 0.5206754), wk = 0.0030581 k( 281) = ( 0.3593750 0.1333910 0.5360012), wk = 0.0030581 k( 282) = ( 0.3515625 0.1413629 0.5513270), wk = 0.0030581 k( 283) = ( 0.3437500 0.1493349 0.5666528), wk = 0.0030581 k( 284) = ( 0.3359375 0.1573069 0.5819786), wk = 0.0030581 k( 285) = ( 0.3281250 0.1652789 0.5973044), wk = 0.0030581 k( 286) = ( 0.3203125 0.1732509 0.6126302), wk = 0.0030581 k( 287) = ( 0.3125000 0.1812228 0.6279560), wk = 0.0030581 k( 288) = ( 0.3046875 0.1891948 0.6432818), wk = 0.0030581 k( 289) = ( 0.2968750 0.1971668 0.6586076), wk = 0.0030581 k( 290) = ( 0.2890625 0.2051388 0.6739334), wk = 0.0030581 k( 291) = ( 0.2812500 0.2131108 0.6892592), wk = 0.0030581 k( 292) = ( 0.2734375 0.2210827 0.7045850), wk = 0.0030581 k( 293) = ( 0.2656250 0.2290547 0.7199108), wk = 0.0030581 k( 294) = ( 0.2578125 0.2370267 0.7352366), wk = 0.0030581 k( 295) = ( 0.2500000 0.2449987 0.7505624), wk = 0.0030581 k( 296) = ( 0.2400974 -0.2449987 0.7505624), wk = 0.0030581 k( 297) = ( 0.2480396 -0.2531030 0.7349823), wk = 0.0030581 k( 298) = ( 0.2559817 -0.2612072 0.7194022), wk = 0.0030581 k( 299) = ( 0.2639238 -0.2693115 0.7038221), wk = 0.0030581 k( 300) = ( 0.2718660 -0.2774157 0.6882420), wk = 0.0030581 k( 301) = ( 0.2798081 -0.2855200 0.6726619), wk = 0.0030581 k( 302) = ( 0.2877502 -0.2936243 0.6570818), wk = 0.0030581 k( 303) = ( 0.2956924 -0.3017285 0.6415017), wk = 0.0030581 k( 304) = ( 0.3036345 -0.3098328 0.6259216), wk = 0.0030581 k( 305) = ( 0.3115766 -0.3179370 0.6103415), wk = 0.0030581 k( 306) = ( 0.3195188 -0.3260413 0.5947613), wk = 0.0030581 k( 307) = ( 0.3274609 -0.3341456 0.5791813), wk = 0.0030581 k( 308) = ( 0.3354030 -0.3422498 0.5636012), wk = 0.0030581 k( 309) = ( 0.3433452 -0.3503541 0.5480210), wk = 0.0030581 k( 310) = ( 0.3512873 -0.3584584 0.5324410), wk = 0.0030581 k( 311) = ( 0.3592295 -0.3665626 0.5168608), wk = 0.0030581 k( 312) = ( 0.3671716 -0.3746669 0.5012807), wk = 0.0030581 k( 313) = ( 0.3751137 -0.3827711 0.4857006), wk = 0.0030581 k( 314) = ( 0.3830558 -0.3908754 0.4701205), wk = 0.0030581 k( 315) = ( 0.3909980 -0.3989797 0.4545404), wk = 0.0030581 k( 316) = ( 0.3989401 -0.4070839 0.4389603), wk = 0.0030581 k( 317) = ( 0.4068823 -0.4151882 0.4233802), wk = 0.0030581 k( 318) = ( 0.5931177 0.3949788 0.0968934), wk = 0.0030581 k( 319) = ( 0.5827713 0.4055364 0.0861275), wk = 0.0030581 k( 320) = ( 0.5724249 0.4160940 0.0753616), wk = 0.0030581 k( 321) = ( 0.5620785 0.4266516 0.0645956), wk = 0.0030581 k( 322) = ( 0.5517321 0.4372093 0.0538297), wk = 0.0030581 k( 323) = ( 0.5413857 0.4477669 0.0430637), wk = 0.0030581 k( 324) = ( 0.5310392 0.4583245 0.0322978), wk = 0.0030581 k( 325) = ( 0.5206928 0.4688821 0.0215319), wk = 0.0030581 k( 326) = ( 0.5103464 0.4794398 0.0107659), wk = 0.0030581 k( 327) = ( 0.5000000 0.4899974 -0.0000000), wk = 0.0030581 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( -0.0079337 0.0079337 0.0079337), wk = 0.0030581 k( 3) = ( -0.0158674 0.0158674 0.0158674), wk = 0.0030581 k( 4) = ( -0.0238011 0.0238011 0.0238011), wk = 0.0030581 k( 5) = ( -0.0317348 0.0317348 0.0317348), wk = 0.0030581 k( 6) = ( -0.0396685 0.0396685 0.0396685), wk = 0.0030581 k( 7) = ( -0.0476022 0.0476022 0.0476022), wk = 0.0030581 k( 8) = ( -0.0555359 0.0555359 0.0555359), wk = 0.0030581 k( 9) = ( -0.0634696 0.0634696 0.0634696), wk = 0.0030581 k( 10) = ( -0.0714033 0.0714033 0.0714033), wk = 0.0030581 k( 11) = ( -0.0793370 0.0793370 0.0793370), wk = 0.0030581 k( 12) = ( -0.0872706 0.0872706 0.0872706), wk = 0.0030581 k( 13) = ( -0.0952043 0.0952043 0.0952043), wk = 0.0030581 k( 14) = ( -0.1031380 0.1031380 0.1031380), wk = 0.0030581 k( 15) = ( -0.1110717 0.1110717 0.1110717), wk = 0.0030581 k( 16) = ( -0.1190054 0.1190054 0.1190054), wk = 0.0030581 k( 17) = ( -0.1269391 0.1269391 0.1269391), wk = 0.0030581 k( 18) = ( -0.1348728 0.1348728 0.1348728), wk = 0.0030581 k( 19) = ( -0.1428065 0.1428065 0.1428065), wk = 0.0030581 k( 20) = ( -0.1507402 0.1507402 0.1507402), wk = 0.0030581 k( 21) = ( -0.1586739 0.1586739 0.1586739), wk = 0.0030581 k( 22) = ( -0.1666076 0.1666076 0.1666076), wk = 0.0030581 k( 23) = ( -0.1745413 0.1745413 0.1745413), wk = 0.0030581 k( 24) = ( -0.1824750 0.1824750 0.1824750), wk = 0.0030581 k( 25) = ( -0.1904087 0.1904087 0.1904087), wk = 0.0030581 k( 26) = ( -0.1983424 0.1983424 0.1983424), wk = 0.0030581 k( 27) = ( -0.2062761 0.2062761 0.2062761), wk = 0.0030581 k( 28) = ( -0.2142098 0.2142098 0.2142098), wk = 0.0030581 k( 29) = ( -0.2221435 0.2221435 0.2221435), wk = 0.0030581 k( 30) = ( -0.2300772 0.2300771 0.2300772), wk = 0.0030581 k( 31) = ( -0.2380108 0.2380108 0.2380108), wk = 0.0030581 k( 32) = ( -0.2459445 0.2459445 0.2459445), wk = 0.0030581 k( 33) = ( -0.2538782 0.2538782 0.2538782), wk = 0.0030581 k( 34) = ( -0.2618119 0.2618119 0.2618119), wk = 0.0030581 k( 35) = ( -0.2697456 0.2697456 0.2697456), wk = 0.0030581 k( 36) = ( -0.2776793 0.2776793 0.2776793), wk = 0.0030581 k( 37) = ( -0.2856130 0.2856130 0.2856130), wk = 0.0030581 k( 38) = ( -0.2935467 0.2935467 0.2935467), wk = 0.0030581 k( 39) = ( -0.3014804 0.3014804 0.3014804), wk = 0.0030581 k( 40) = ( -0.3094141 0.3094141 0.3094141), wk = 0.0030581 k( 41) = ( -0.3173478 0.3173478 0.3173478), wk = 0.0030581 k( 42) = ( -0.3252815 0.3252815 0.3252815), wk = 0.0030581 k( 43) = ( -0.3332152 0.3332152 0.3332152), wk = 0.0030581 k( 44) = ( -0.3332152 0.3332152 0.3332152), wk = 0.0030581 k( 45) = ( -0.3228688 0.3228688 0.3435616), wk = 0.0030581 k( 46) = ( -0.3125224 0.3125224 0.3539080), wk = 0.0030581 k( 47) = ( -0.3021759 0.3021759 0.3642544), wk = 0.0030581 k( 48) = ( -0.2918295 0.2918295 0.3746008), wk = 0.0030581 k( 49) = ( -0.2814831 0.2814831 0.3849473), wk = 0.0030581 k( 50) = ( -0.2711367 0.2711367 0.3952937), wk = 0.0030581 k( 51) = ( -0.2607903 0.2607903 0.4056401), wk = 0.0030581 k( 52) = ( -0.2504439 0.2504439 0.4159865), wk = 0.0030581 k( 53) = ( -0.2400974 0.2400974 0.4263329), wk = 0.0030581 k( 54) = ( -0.2400974 0.2400974 0.4263329), wk = 0.0030581 k( 55) = ( -0.2267587 0.2267587 0.4304255), wk = 0.0030581 k( 56) = ( -0.2134199 0.2134199 0.4345182), wk = 0.0030581 k( 57) = ( -0.2000812 0.2000812 0.4386108), wk = 0.0030581 k( 58) = ( -0.1867425 0.1867424 0.4427034), wk = 0.0030581 k( 59) = ( -0.1734037 0.1734037 0.4467960), wk = 0.0030581 k( 60) = ( -0.1600650 0.1600650 0.4508886), wk = 0.0030581 k( 61) = ( -0.1467262 0.1467262 0.4549812), wk = 0.0030581 k( 62) = ( -0.1333875 0.1333875 0.4590739), wk = 0.0030581 k( 63) = ( -0.1200487 0.1200487 0.4631665), wk = 0.0030581 k( 64) = ( -0.1067100 0.1067100 0.4672591), wk = 0.0030581 k( 65) = ( -0.0933712 0.0933712 0.4713517), wk = 0.0030581 k( 66) = ( -0.0800325 0.0800325 0.4754443), wk = 0.0030581 k( 67) = ( -0.0666937 0.0666937 0.4795369), wk = 0.0030581 k( 68) = ( -0.0533550 0.0533550 0.4836295), wk = 0.0030581 k( 69) = ( -0.0400162 0.0400162 0.4877222), wk = 0.0030581 k( 70) = ( -0.0266775 0.0266775 0.4918148), wk = 0.0030581 k( 71) = ( -0.0133387 0.0133387 0.4959074), wk = 0.0030581 k( 72) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030581 k( 73) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030581 k( 74) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0030581 k( 75) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0030581 k( 76) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0030581 k( 77) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0030581 k( 78) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0030581 k( 79) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0030581 k( 80) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0030581 k( 81) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0030581 k( 82) = ( 0.1184210 0.1184210 0.3815789), wk = 0.0030581 k( 83) = ( 0.1315790 0.1315790 0.3684211), wk = 0.0030581 k( 84) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0030581 k( 85) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0030581 k( 86) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0030581 k( 87) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0030581 k( 88) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0030581 k( 89) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0030581 k( 90) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0030581 k( 91) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0030581 k( 92) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030581 k( 93) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030581 k( 94) = ( 0.2391304 0.2608696 0.2391304), wk = 0.0030581 k( 95) = ( 0.2282609 0.2717391 0.2282609), wk = 0.0030581 k( 96) = ( 0.2173913 0.2826087 0.2173913), wk = 0.0030581 k( 97) = ( 0.2065217 0.2934783 0.2065217), wk = 0.0030581 k( 98) = ( 0.1956522 0.3043478 0.1956522), wk = 0.0030581 k( 99) = ( 0.1847826 0.3152174 0.1847826), wk = 0.0030581 k( 100) = ( 0.1739130 0.3260870 0.1739130), wk = 0.0030581 k( 101) = ( 0.1630435 0.3369565 0.1630435), wk = 0.0030581 k( 102) = ( 0.1521739 0.3478261 0.1521739), wk = 0.0030581 k( 103) = ( 0.1413043 0.3586956 0.1413043), wk = 0.0030581 k( 104) = ( 0.1304348 0.3695652 0.1304348), wk = 0.0030581 k( 105) = ( 0.1195652 0.3804348 0.1195652), wk = 0.0030581 k( 106) = ( 0.1086957 0.3913044 0.1086957), wk = 0.0030581 k( 107) = ( 0.0978261 0.4021739 0.0978261), wk = 0.0030581 k( 108) = ( 0.0869565 0.4130435 0.0869565), wk = 0.0030581 k( 109) = ( 0.0760870 0.4239130 0.0760870), wk = 0.0030581 k( 110) = ( 0.0652174 0.4347826 0.0652174), wk = 0.0030581 k( 111) = ( 0.0543478 0.4456522 0.0543478), wk = 0.0030581 k( 112) = ( 0.0434783 0.4565217 0.0434783), wk = 0.0030581 k( 113) = ( 0.0326087 0.4673913 0.0326087), wk = 0.0030581 k( 114) = ( 0.0217391 0.4782609 0.0217391), wk = 0.0030581 k( 115) = ( 0.0108696 0.4891304 0.0108696), wk = 0.0030581 k( 116) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030581 k( 117) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030581 k( 118) = ( 0.0158674 0.5079421 -0.0158674), wk = 0.0030581 k( 119) = ( 0.0317348 0.5158843 -0.0317348), wk = 0.0030581 k( 120) = ( 0.0476022 0.5238264 -0.0476022), wk = 0.0030581 k( 121) = ( 0.0634696 0.5317685 -0.0634696), wk = 0.0030581 k( 122) = ( 0.0793370 0.5397107 -0.0793369), wk = 0.0030581 k( 123) = ( 0.0952043 0.5476528 -0.0952043), wk = 0.0030581 k( 124) = ( 0.1110717 0.5555949 -0.1110717), wk = 0.0030581 k( 125) = ( 0.1269391 0.5635371 -0.1269391), wk = 0.0030581 k( 126) = ( 0.1428065 0.5714792 -0.1428065), wk = 0.0030581 k( 127) = ( 0.1586739 0.5794213 -0.1586739), wk = 0.0030581 k( 128) = ( 0.1745413 0.5873635 -0.1745413), wk = 0.0030581 k( 129) = ( 0.1904087 0.5953056 -0.1904087), wk = 0.0030581 k( 130) = ( 0.2062761 0.6032477 -0.2062761), wk = 0.0030581 k( 131) = ( 0.2221435 0.6111899 -0.2221435), wk = 0.0030581 k( 132) = ( 0.2380108 0.6191320 -0.2380109), wk = 0.0030581 k( 133) = ( 0.2538782 0.6270741 -0.2538782), wk = 0.0030581 k( 134) = ( 0.2697456 0.6350163 -0.2697456), wk = 0.0030581 k( 135) = ( 0.2856130 0.6429584 -0.2856130), wk = 0.0030581 k( 136) = ( 0.3014804 0.6509006 -0.3014804), wk = 0.0030581 k( 137) = ( 0.3173478 0.6588427 -0.3173478), wk = 0.0030581 k( 138) = ( 0.3332152 0.6667848 -0.3332152), wk = 0.0030581 k( 139) = ( 0.3332152 0.6667848 -0.3332152), wk = 0.0030581 k( 140) = ( 0.3411573 0.6588427 -0.3411573), wk = 0.0030581 k( 141) = ( 0.3490994 0.6509005 -0.3490994), wk = 0.0030581 k( 142) = ( 0.3570416 0.6429584 -0.3570416), wk = 0.0030581 k( 143) = ( 0.3649837 0.6350163 -0.3649837), wk = 0.0030581 k( 144) = ( 0.3729259 0.6270741 -0.3729259), wk = 0.0030581 k( 145) = ( 0.3808680 0.6191320 -0.3808680), wk = 0.0030581 k( 146) = ( 0.3888101 0.6111899 -0.3888101), wk = 0.0030581 k( 147) = ( 0.3967523 0.6032477 -0.3967523), wk = 0.0030581 k( 148) = ( 0.4046944 0.5953056 -0.4046944), wk = 0.0030581 k( 149) = ( 0.4126365 0.5873635 -0.4126365), wk = 0.0030581 k( 150) = ( 0.4205787 0.5794213 -0.4205787), wk = 0.0030581 k( 151) = ( 0.4285208 0.5714792 -0.4285208), wk = 0.0030581 k( 152) = ( 0.4364629 0.5635371 -0.4364629), wk = 0.0030581 k( 153) = ( 0.4444051 0.5555949 -0.4444051), wk = 0.0030581 k( 154) = ( 0.4523472 0.5476528 -0.4523472), wk = 0.0030581 k( 155) = ( 0.4602893 0.5397107 -0.4602893), wk = 0.0030581 k( 156) = ( 0.4682315 0.5317685 -0.4682315), wk = 0.0030581 k( 157) = ( 0.4761736 0.5238264 -0.4761736), wk = 0.0030581 k( 158) = ( 0.4841157 0.5158843 -0.4841157), wk = 0.0030581 k( 159) = ( 0.4920579 0.5079421 -0.4920579), wk = 0.0030581 k( 160) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030581 k( 161) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030581 k( 162) = ( 0.4864865 0.4864865 -0.4864865), wk = 0.0030581 k( 163) = ( 0.4729730 0.4729730 -0.4729730), wk = 0.0030581 k( 164) = ( 0.4594595 0.4594595 -0.4594595), wk = 0.0030581 k( 165) = ( 0.4459459 0.4459459 -0.4459459), wk = 0.0030581 k( 166) = ( 0.4324324 0.4324324 -0.4324324), wk = 0.0030581 k( 167) = ( 0.4189189 0.4189189 -0.4189189), wk = 0.0030581 k( 168) = ( 0.4054054 0.4054054 -0.4054054), wk = 0.0030581 k( 169) = ( 0.3918919 0.3918919 -0.3918919), wk = 0.0030581 k( 170) = ( 0.3783784 0.3783784 -0.3783784), wk = 0.0030581 k( 171) = ( 0.3648649 0.3648649 -0.3648649), wk = 0.0030581 k( 172) = ( 0.3513514 0.3513514 -0.3513514), wk = 0.0030581 k( 173) = ( 0.3378378 0.3378378 -0.3378378), wk = 0.0030581 k( 174) = ( 0.3243243 0.3243243 -0.3243243), wk = 0.0030581 k( 175) = ( 0.3108108 0.3108108 -0.3108108), wk = 0.0030581 k( 176) = ( 0.2972973 0.2972973 -0.2972973), wk = 0.0030581 k( 177) = ( 0.2837838 0.2837838 -0.2837838), wk = 0.0030581 k( 178) = ( 0.2702703 0.2702703 -0.2702703), wk = 0.0030581 k( 179) = ( 0.2567568 0.2567568 -0.2567568), wk = 0.0030581 k( 180) = ( 0.2432432 0.2432432 -0.2432432), wk = 0.0030581 k( 181) = ( 0.2297297 0.2297297 -0.2297297), wk = 0.0030581 k( 182) = ( 0.2162162 0.2162162 -0.2162162), wk = 0.0030581 k( 183) = ( 0.2027027 0.2027027 -0.2027027), wk = 0.0030581 k( 184) = ( 0.1891892 0.1891892 -0.1891892), wk = 0.0030581 k( 185) = ( 0.1756757 0.1756757 -0.1756757), wk = 0.0030581 k( 186) = ( 0.1621622 0.1621622 -0.1621622), wk = 0.0030581 k( 187) = ( 0.1486486 0.1486486 -0.1486486), wk = 0.0030581 k( 188) = ( 0.1351351 0.1351351 -0.1351351), wk = 0.0030581 k( 189) = ( 0.1216216 0.1216216 -0.1216216), wk = 0.0030581 k( 190) = ( 0.1081081 0.1081081 -0.1081081), wk = 0.0030581 k( 191) = ( 0.0945946 0.0945946 -0.0945946), wk = 0.0030581 k( 192) = ( 0.0810811 0.0810811 -0.0810811), wk = 0.0030581 k( 193) = ( 0.0675676 0.0675676 -0.0675676), wk = 0.0030581 k( 194) = ( 0.0540540 0.0540540 -0.0540540), wk = 0.0030581 k( 195) = ( 0.0405405 0.0405405 -0.0405405), wk = 0.0030581 k( 196) = ( 0.0270270 0.0270270 -0.0270270), wk = 0.0030581 k( 197) = ( 0.0135135 0.0135135 -0.0135135), wk = 0.0030581 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 200) = ( 0.0107074 -0.0107074 0.0107074), wk = 0.0030581 k( 201) = ( 0.0214149 -0.0214149 0.0214149), wk = 0.0030581 k( 202) = ( 0.0321223 -0.0321223 0.0321223), wk = 0.0030581 k( 203) = ( 0.0428297 -0.0428297 0.0428297), wk = 0.0030581 k( 204) = ( 0.0535371 -0.0535371 0.0535371), wk = 0.0030581 k( 205) = ( 0.0642446 -0.0642446 0.0642446), wk = 0.0030581 k( 206) = ( 0.0749520 -0.0749520 0.0749520), wk = 0.0030581 k( 207) = ( 0.0856594 -0.0856594 0.0856594), wk = 0.0030581 k( 208) = ( 0.0963669 -0.0963669 0.0963668), wk = 0.0030581 k( 209) = ( 0.1070743 -0.1070743 0.1070743), wk = 0.0030581 k( 210) = ( 0.1177817 -0.1177817 0.1177817), wk = 0.0030581 k( 211) = ( 0.1284891 -0.1284891 0.1284891), wk = 0.0030581 k( 212) = ( 0.1391966 -0.1391966 0.1391966), wk = 0.0030581 k( 213) = ( 0.1499040 -0.1499040 0.1499040), wk = 0.0030581 k( 214) = ( 0.1606114 -0.1606114 0.1606114), wk = 0.0030581 k( 215) = ( 0.1713188 -0.1713188 0.1713188), wk = 0.0030581 k( 216) = ( 0.1820263 -0.1820263 0.1820263), wk = 0.0030581 k( 217) = ( 0.1927337 -0.1927337 0.1927337), wk = 0.0030581 k( 218) = ( 0.2034411 -0.2034411 0.2034411), wk = 0.0030581 k( 219) = ( 0.2141485 -0.2141485 0.2141485), wk = 0.0030581 k( 220) = ( 0.2248560 -0.2248560 0.2248560), wk = 0.0030581 k( 221) = ( 0.2355634 -0.2355634 0.2355634), wk = 0.0030581 k( 222) = ( 0.2462708 -0.2462708 0.2462708), wk = 0.0030581 k( 223) = ( 0.2569783 -0.2569783 0.2569783), wk = 0.0030581 k( 224) = ( 0.2676857 -0.2676857 0.2676857), wk = 0.0030581 k( 225) = ( 0.2783931 -0.2783931 0.2783931), wk = 0.0030581 k( 226) = ( 0.2891006 -0.2891006 0.2891006), wk = 0.0030581 k( 227) = ( 0.2998080 -0.2998080 0.2998080), wk = 0.0030581 k( 228) = ( 0.3105154 -0.3105154 0.3105154), wk = 0.0030581 k( 229) = ( 0.3212228 -0.3212228 0.3212228), wk = 0.0030581 k( 230) = ( 0.3319303 -0.3319303 0.3319303), wk = 0.0030581 k( 231) = ( 0.3426377 -0.3426377 0.3426377), wk = 0.0030581 k( 232) = ( 0.3533451 -0.3533451 0.3533451), wk = 0.0030581 k( 233) = ( 0.3640525 -0.3640525 0.3640525), wk = 0.0030581 k( 234) = ( 0.3747600 -0.3747600 0.3747600), wk = 0.0030581 k( 235) = ( 0.3854674 -0.3854674 0.3854674), wk = 0.0030581 k( 236) = ( 0.3961748 -0.3961748 0.3961748), wk = 0.0030581 k( 237) = ( 0.4068823 -0.4068822 0.4068822), wk = 0.0030581 k( 238) = ( 0.4068823 -0.4068822 0.4068822), wk = 0.0030581 k( 239) = ( 0.4107622 -0.3899288 0.3899288), wk = 0.0030581 k( 240) = ( 0.4146421 -0.3729754 0.3729754), wk = 0.0030581 k( 241) = ( 0.4185220 -0.3560220 0.3560220), wk = 0.0030581 k( 242) = ( 0.4224019 -0.3390685 0.3390685), wk = 0.0030581 k( 243) = ( 0.4262818 -0.3221151 0.3221151), wk = 0.0030581 k( 244) = ( 0.4301617 -0.3051617 0.3051617), wk = 0.0030581 k( 245) = ( 0.4340416 -0.2882083 0.2882083), wk = 0.0030581 k( 246) = ( 0.4379215 -0.2712548 0.2712548), wk = 0.0030581 k( 247) = ( 0.4418014 -0.2543014 0.2543014), wk = 0.0030581 k( 248) = ( 0.4456813 -0.2373480 0.2373480), wk = 0.0030581 k( 249) = ( 0.4495612 -0.2203945 0.2203945), wk = 0.0030581 k( 250) = ( 0.4534411 -0.2034411 0.2034411), wk = 0.0030581 k( 251) = ( 0.4573210 -0.1864877 0.1864877), wk = 0.0030581 k( 252) = ( 0.4612009 -0.1695343 0.1695343), wk = 0.0030581 k( 253) = ( 0.4650808 -0.1525808 0.1525808), wk = 0.0030581 k( 254) = ( 0.4689607 -0.1356274 0.1356274), wk = 0.0030581 k( 255) = ( 0.4728407 -0.1186740 0.1186740), wk = 0.0030581 k( 256) = ( 0.4767206 -0.1017206 0.1017206), wk = 0.0030581 k( 257) = ( 0.4806005 -0.0847671 0.0847671), wk = 0.0030581 k( 258) = ( 0.4844804 -0.0678137 0.0678137), wk = 0.0030581 k( 259) = ( 0.4883603 -0.0508603 0.0508603), wk = 0.0030581 k( 260) = ( 0.4922402 -0.0339069 0.0339069), wk = 0.0030581 k( 261) = ( 0.4961201 -0.0169534 0.0169534), wk = 0.0030581 k( 262) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030581 k( 263) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0030581 k( 264) = ( 0.4921875 0.0078125 0.0078125), wk = 0.0030581 k( 265) = ( 0.4843750 0.0156250 0.0156250), wk = 0.0030581 k( 266) = ( 0.4765625 0.0234375 0.0234375), wk = 0.0030581 k( 267) = ( 0.4687500 0.0312500 0.0312500), wk = 0.0030581 k( 268) = ( 0.4609375 0.0390625 0.0390625), wk = 0.0030581 k( 269) = ( 0.4531250 0.0468750 0.0468750), wk = 0.0030581 k( 270) = ( 0.4453125 0.0546875 0.0546875), wk = 0.0030581 k( 271) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0030581 k( 272) = ( 0.4296875 0.0703125 0.0703125), wk = 0.0030581 k( 273) = ( 0.4218750 0.0781250 0.0781250), wk = 0.0030581 k( 274) = ( 0.4140625 0.0859375 0.0859375), wk = 0.0030581 k( 275) = ( 0.4062500 0.0937500 0.0937500), wk = 0.0030581 k( 276) = ( 0.3984375 0.1015625 0.1015625), wk = 0.0030581 k( 277) = ( 0.3906250 0.1093750 0.1093750), wk = 0.0030581 k( 278) = ( 0.3828125 0.1171875 0.1171875), wk = 0.0030581 k( 279) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0030581 k( 280) = ( 0.3671875 0.1328125 0.1328125), wk = 0.0030581 k( 281) = ( 0.3593750 0.1406250 0.1406250), wk = 0.0030581 k( 282) = ( 0.3515625 0.1484375 0.1484375), wk = 0.0030581 k( 283) = ( 0.3437500 0.1562500 0.1562500), wk = 0.0030581 k( 284) = ( 0.3359375 0.1640625 0.1640625), wk = 0.0030581 k( 285) = ( 0.3281250 0.1718750 0.1718750), wk = 0.0030581 k( 286) = ( 0.3203125 0.1796875 0.1796875), wk = 0.0030581 k( 287) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0030581 k( 288) = ( 0.3046875 0.1953125 0.1953125), wk = 0.0030581 k( 289) = ( 0.2968750 0.2031250 0.2031250), wk = 0.0030581 k( 290) = ( 0.2890625 0.2109375 0.2109375), wk = 0.0030581 k( 291) = ( 0.2812500 0.2187500 0.2187500), wk = 0.0030581 k( 292) = ( 0.2734375 0.2265625 0.2265625), wk = 0.0030581 k( 293) = ( 0.2656250 0.2343750 0.2343750), wk = 0.0030581 k( 294) = ( 0.2578125 0.2421875 0.2421875), wk = 0.0030581 k( 295) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030581 k( 296) = ( 0.2400974 -0.2400974 0.5736671), wk = 0.0030581 k( 297) = ( 0.2480396 -0.2480396 0.5657249), wk = 0.0030581 k( 298) = ( 0.2559817 -0.2559817 0.5577828), wk = 0.0030581 k( 299) = ( 0.2639238 -0.2639238 0.5498407), wk = 0.0030581 k( 300) = ( 0.2718660 -0.2718660 0.5418985), wk = 0.0030581 k( 301) = ( 0.2798081 -0.2798081 0.5339564), wk = 0.0030581 k( 302) = ( 0.2877502 -0.2877502 0.5260143), wk = 0.0030581 k( 303) = ( 0.2956924 -0.2956924 0.5180721), wk = 0.0030581 k( 304) = ( 0.3036345 -0.3036345 0.5101300), wk = 0.0030581 k( 305) = ( 0.3115766 -0.3115766 0.5021879), wk = 0.0030581 k( 306) = ( 0.3195188 -0.3195188 0.4942457), wk = 0.0030581 k( 307) = ( 0.3274609 -0.3274609 0.4863036), wk = 0.0030581 k( 308) = ( 0.3354030 -0.3354030 0.4783615), wk = 0.0030581 k( 309) = ( 0.3433452 -0.3433452 0.4704193), wk = 0.0030581 k( 310) = ( 0.3512873 -0.3512873 0.4624772), wk = 0.0030581 k( 311) = ( 0.3592295 -0.3592294 0.4545350), wk = 0.0030581 k( 312) = ( 0.3671716 -0.3671716 0.4465929), wk = 0.0030581 k( 313) = ( 0.3751137 -0.3751137 0.4386508), wk = 0.0030581 k( 314) = ( 0.3830558 -0.3830559 0.4307087), wk = 0.0030581 k( 315) = ( 0.3909980 -0.3909980 0.4227665), wk = 0.0030581 k( 316) = ( 0.3989401 -0.3989401 0.4148244), wk = 0.0030581 k( 317) = ( 0.4068823 -0.4068822 0.4068822), wk = 0.0030581 k( 318) = ( 0.5931177 0.4068822 -0.4068823), wk = 0.0030581 k( 319) = ( 0.5827713 0.4172287 -0.4172287), wk = 0.0030581 k( 320) = ( 0.5724249 0.4275751 -0.4275751), wk = 0.0030581 k( 321) = ( 0.5620785 0.4379215 -0.4379215), wk = 0.0030581 k( 322) = ( 0.5517321 0.4482679 -0.4482679), wk = 0.0030581 k( 323) = ( 0.5413857 0.4586143 -0.4586143), wk = 0.0030581 k( 324) = ( 0.5310392 0.4689607 -0.4689607), wk = 0.0030581 k( 325) = ( 0.5206928 0.4793072 -0.4793072), wk = 0.0030581 k( 326) = ( 0.5103464 0.4896536 -0.4896536), wk = 0.0030581 k( 327) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030581 Dense grid: 70353 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 34089 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 250, 38) NL pseudopotentials 0.26 Mb ( 125, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1954) G-vector shells 0.01 Mb ( 1805) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 250, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.16 Mb ( 136, 2, 38) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./RbS.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.5 secs Computing kpt #: 12 total cpu time spent up to now is 7.9 secs Computing kpt #: 13 total cpu time spent up to now is 8.7 secs Computing kpt #: 14 total cpu time spent up to now is 9.1 secs Computing kpt #: 15 total cpu time spent up to now is 9.5 secs Computing kpt #: 16 total cpu time spent up to now is 9.9 secs Computing kpt #: 17 total cpu time spent up to now is 10.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.7 secs Computing kpt #: 19 total cpu time spent up to now is 11.1 secs Computing kpt #: 20 total cpu time spent up to now is 11.5 secs Computing kpt #: 21 total cpu time spent up to now is 11.8 secs Computing kpt #: 22 total cpu time spent up to now is 12.2 secs Computing kpt #: 23 total cpu time spent up to now is 12.5 secs Computing kpt #: 24 total cpu time spent up to now is 12.9 secs Computing kpt #: 25 total cpu time spent up to now is 13.2 secs Computing kpt #: 26 total cpu time spent up to now is 13.6 secs Computing kpt #: 27 total cpu time spent up to now is 14.0 secs Computing kpt #: 28 total cpu time spent up to now is 14.4 secs Computing kpt #: 29 total cpu time spent up to now is 14.8 secs Computing kpt #: 30 total cpu time spent up to now is 15.2 secs Computing kpt #: 31 total cpu time spent up to now is 15.5 secs Computing kpt #: 32 total cpu time spent up to now is 15.9 secs Computing kpt #: 33 total cpu time spent up to now is 16.3 secs Computing kpt #: 34 total cpu time spent up to now is 16.6 secs Computing kpt #: 35 total cpu time spent up to now is 17.0 secs Computing kpt #: 36 total cpu time spent up to now is 17.3 secs Computing kpt #: 37 total cpu time spent up to now is 17.6 secs Computing kpt #: 38 total cpu time spent up to now is 18.0 secs Computing kpt #: 39 total cpu time spent up to now is 18.3 secs Computing kpt #: 40 total cpu time spent up to now is 18.6 secs Computing kpt #: 41 total cpu time spent up to now is 19.0 secs Computing kpt #: 42 total cpu time spent up to now is 19.3 secs Computing kpt #: 43 total cpu time spent up to now is 19.7 secs Computing kpt #: 44 total cpu time spent up to now is 20.0 secs Computing kpt #: 45 total cpu time spent up to now is 20.3 secs Computing kpt #: 46 total cpu time spent up to now is 20.6 secs Computing kpt #: 47 total cpu time spent up to now is 21.0 secs Computing kpt #: 48 total cpu time spent up to now is 21.3 secs Computing kpt #: 49 total cpu time spent up to now is 21.7 secs Computing kpt #: 50 total cpu time spent up to now is 22.0 secs Computing kpt #: 51 total cpu time spent up to now is 22.4 secs Computing kpt #: 52 total cpu time spent up to now is 22.8 secs Computing kpt #: 53 total cpu time spent up to now is 23.1 secs Computing kpt #: 54 total cpu time spent up to now is 23.5 secs Computing kpt #: 55 total cpu time spent up to now is 23.9 secs Computing kpt #: 56 total cpu time spent up to now is 24.2 secs Computing kpt #: 57 total cpu time spent up to now is 24.6 secs Computing kpt #: 58 total cpu time spent up to now is 24.9 secs Computing kpt #: 59 total cpu time spent up to now is 25.3 secs Computing kpt #: 60 total cpu time spent up to now is 25.6 secs Computing kpt #: 61 total cpu time spent up to now is 26.0 secs Computing kpt #: 62 total cpu time spent up to now is 26.3 secs Computing kpt #: 63 total cpu time spent up to now is 26.6 secs Computing kpt #: 64 total cpu time spent up to now is 27.0 secs Computing kpt #: 65 total cpu time spent up to now is 27.3 secs Computing kpt #: 66 total cpu time spent up to now is 27.6 secs Computing kpt #: 67 total cpu time spent up to now is 28.0 secs Computing kpt #: 68 total cpu time spent up to now is 28.3 secs Computing kpt #: 69 total cpu time spent up to now is 28.7 secs Computing kpt #: 70 total cpu time spent up to now is 29.1 secs Computing kpt #: 71 total cpu time spent up to now is 29.5 secs Computing kpt #: 72 total cpu time spent up to now is 29.9 secs Computing kpt #: 73 total cpu time spent up to now is 30.3 secs Computing kpt #: 74 total cpu time spent up to now is 30.7 secs Computing kpt #: 75 total cpu time spent up to now is 31.2 secs Computing kpt #: 76 total cpu time spent up to now is 31.6 secs Computing kpt #: 77 total cpu time spent up to now is 32.0 secs Computing kpt #: 78 total cpu time spent up to now is 32.4 secs Computing kpt #: 79 total cpu time spent up to now is 32.8 secs Computing kpt #: 80 total cpu time spent up to now is 33.2 secs Computing kpt #: 81 total cpu time spent up to now is 33.6 secs Computing kpt #: 82 total cpu time spent up to now is 34.0 secs Computing kpt #: 83 total cpu time spent up to now is 34.5 secs Computing kpt #: 84 total cpu time spent up to now is 34.9 secs Computing kpt #: 85 total cpu time spent up to now is 35.3 secs Computing kpt #: 86 total cpu time spent up to now is 35.7 secs Computing kpt #: 87 total cpu time spent up to now is 36.1 secs Computing kpt #: 88 total cpu time spent up to now is 36.6 secs Computing kpt #: 89 total cpu time spent up to now is 37.0 secs Computing kpt #: 90 total cpu time spent up to now is 37.4 secs Computing kpt #: 91 total cpu time spent up to now is 37.8 secs Computing kpt #: 92 total cpu time spent up to now is 38.2 secs Computing kpt #: 93 total cpu time spent up to now is 38.6 secs Computing kpt #: 94 total cpu time spent up to now is 39.1 secs Computing kpt #: 95 total cpu time spent up to now is 39.5 secs Computing kpt #: 96 total cpu time spent up to now is 39.9 secs Computing kpt #: 97 total cpu time spent up to now is 40.3 secs Computing kpt #: 98 total cpu time spent up to now is 40.7 secs Computing kpt #: 99 total cpu time spent up to now is 41.2 secs Computing kpt #: 100 total cpu time spent up to now is 41.6 secs Computing kpt #: 101 total cpu time spent up to now is 42.0 secs Computing kpt #: 102 total cpu time spent up to now is 42.4 secs Computing kpt #: 103 total cpu time spent up to now is 42.8 secs Computing kpt #: 104 total cpu time spent up to now is 43.2 secs Computing kpt #: 105 total cpu time spent up to now is 43.7 secs Computing kpt #: 106 total cpu time spent up to now is 44.1 secs Computing kpt #: 107 total cpu time spent up to now is 44.5 secs Computing kpt #: 108 total cpu time spent up to now is 44.9 secs Computing kpt #: 109 total cpu time spent up to now is 45.3 secs Computing kpt #: 110 total cpu time spent up to now is 45.8 secs Computing kpt #: 111 total cpu time spent up to now is 46.2 secs Computing kpt #: 112 total cpu time spent up to now is 46.6 secs Computing kpt #: 113 total cpu time spent up to now is 47.0 secs Computing kpt #: 114 total cpu time spent up to now is 47.4 secs Computing kpt #: 115 total cpu time spent up to now is 47.9 secs Computing kpt #: 116 total cpu time spent up to now is 48.3 secs Computing kpt #: 117 total cpu time spent up to now is 48.7 secs Computing kpt #: 118 total cpu time spent up to now is 49.2 secs Computing kpt #: 119 total cpu time spent up to now is 49.6 secs Computing kpt #: 120 total cpu time spent up to now is 50.0 secs Computing kpt #: 121 total cpu time spent up to now is 50.4 secs Computing kpt #: 122 total cpu time spent up to now is 50.9 secs Computing kpt #: 123 total cpu time spent up to now is 51.3 secs Computing kpt #: 124 total cpu time spent up to now is 51.7 secs Computing kpt #: 125 total cpu time spent up to now is 52.1 secs Computing kpt #: 126 total cpu time spent up to now is 52.4 secs Computing kpt #: 127 total cpu time spent up to now is 52.8 secs Computing kpt #: 128 total cpu time spent up to now is 53.1 secs Computing kpt #: 129 total cpu time spent up to now is 53.5 secs Computing kpt #: 130 total cpu time spent up to now is 53.8 secs Computing kpt #: 131 total cpu time spent up to now is 54.1 secs Computing kpt #: 132 total cpu time spent up to now is 54.5 secs Computing kpt #: 133 total cpu time spent up to now is 54.8 secs Computing kpt #: 134 total cpu time spent up to now is 55.2 secs Computing kpt #: 135 total cpu time spent up to now is 55.5 secs Computing kpt #: 136 total cpu time spent up to now is 55.8 secs Computing kpt #: 137 total cpu time spent up to now is 56.2 secs Computing kpt #: 138 total cpu time spent up to now is 56.5 secs Computing kpt #: 139 total cpu time spent up to now is 56.8 secs Computing kpt #: 140 total cpu time spent up to now is 57.2 secs Computing kpt #: 141 total cpu time spent up to now is 57.5 secs Computing kpt #: 142 total cpu time spent up to now is 57.8 secs Computing kpt #: 143 total cpu time spent up to now is 58.1 secs Computing kpt #: 144 total cpu time spent up to now is 58.5 secs Computing kpt #: 145 total cpu time spent up to now is 58.9 secs Computing kpt #: 146 total cpu time spent up to now is 59.2 secs Computing kpt #: 147 total cpu time spent up to now is 59.6 secs Computing kpt #: 148 total cpu time spent up to now is 60.0 secs Computing kpt #: 149 total cpu time spent up to now is 60.4 secs Computing kpt #: 150 total cpu time spent up to now is 60.8 secs Computing kpt #: 151 total cpu time spent up to now is 61.2 secs Computing kpt #: 152 total cpu time spent up to now is 61.6 secs Computing kpt #: 153 total cpu time spent up to now is 62.0 secs Computing kpt #: 154 total cpu time spent up to now is 62.4 secs Computing kpt #: 155 total cpu time spent up to now is 62.8 secs Computing kpt #: 156 total cpu time spent up to now is 63.2 secs Computing kpt #: 157 total cpu time spent up to now is 63.5 secs Computing kpt #: 158 total cpu time spent up to now is 63.9 secs Computing kpt #: 159 total cpu time spent up to now is 64.3 secs Computing kpt #: 160 total cpu time spent up to now is 64.7 secs Computing kpt #: 161 total cpu time spent up to now is 65.1 secs Computing kpt #: 162 total cpu time spent up to now is 65.4 secs Computing kpt #: 163 total cpu time spent up to now is 65.8 secs Computing kpt #: 164 total cpu time spent up to now is 66.2 secs Computing kpt #: 165 total cpu time spent up to now is 66.6 secs Computing kpt #: 166 total cpu time spent up to now is 67.0 secs Computing kpt #: 167 total cpu time spent up to now is 67.4 secs Computing kpt #: 168 total cpu time spent up to now is 67.8 secs Computing kpt #: 169 total cpu time spent up to now is 68.2 secs Computing kpt #: 170 total cpu time spent up to now is 68.6 secs Computing kpt #: 171 total cpu time spent up to now is 69.0 secs Computing kpt #: 172 total cpu time spent up to now is 69.4 secs Computing kpt #: 173 total cpu time spent up to now is 69.8 secs Computing kpt #: 174 total cpu time spent up to now is 70.2 secs Computing kpt #: 175 total cpu time spent up to now is 70.6 secs Computing kpt #: 176 total cpu time spent up to now is 71.0 secs Computing kpt #: 177 total cpu time spent up to now is 71.4 secs Computing kpt #: 178 total cpu time spent up to now is 71.8 secs Computing kpt #: 179 total cpu time spent up to now is 72.2 secs Computing kpt #: 180 total cpu time spent up to now is 72.6 secs Computing kpt #: 181 total cpu time spent up to now is 73.0 secs Computing kpt #: 182 total cpu time spent up to now is 73.5 secs Computing kpt #: 183 total cpu time spent up to now is 73.9 secs Computing kpt #: 184 total cpu time spent up to now is 74.3 secs Computing kpt #: 185 total cpu time spent up to now is 74.7 secs Computing kpt #: 186 total cpu time spent up to now is 75.1 secs Computing kpt #: 187 total cpu time spent up to now is 75.5 secs Computing kpt #: 188 total cpu time spent up to now is 76.0 secs Computing kpt #: 189 total cpu time spent up to now is 76.4 secs Computing kpt #: 190 total cpu time spent up to now is 76.8 secs Computing kpt #: 191 total cpu time spent up to now is 77.2 secs Computing kpt #: 192 total cpu time spent up to now is 77.6 secs Computing kpt #: 193 total cpu time spent up to now is 78.0 secs Computing kpt #: 194 total cpu time spent up to now is 78.3 secs Computing kpt #: 195 total cpu time spent up to now is 78.7 secs Computing kpt #: 196 total cpu time spent up to now is 79.2 secs Computing kpt #: 197 total cpu time spent up to now is 79.5 secs Computing kpt #: 198 total cpu time spent up to now is 79.9 secs Computing kpt #: 199 total cpu time spent up to now is 80.3 secs Computing kpt #: 200 total cpu time spent up to now is 80.7 secs Computing kpt #: 201 total cpu time spent up to now is 81.0 secs Computing kpt #: 202 total cpu time spent up to now is 81.4 secs Computing kpt #: 203 total cpu time spent up to now is 81.7 secs Computing kpt #: 204 total cpu time spent up to now is 82.0 secs Computing kpt #: 205 total cpu time spent up to now is 82.4 secs Computing kpt #: 206 total cpu time spent up to now is 82.8 secs Computing kpt #: 207 total cpu time spent up to now is 83.2 secs Computing kpt #: 208 total cpu time spent up to now is 83.6 secs Computing kpt #: 209 total cpu time spent up to now is 84.0 secs Computing kpt #: 210 total cpu time spent up to now is 84.4 secs Computing kpt #: 211 total cpu time spent up to now is 84.8 secs Computing kpt #: 212 total cpu time spent up to now is 85.2 secs Computing kpt #: 213 total cpu time spent up to now is 85.7 secs Computing kpt #: 214 total cpu time spent up to now is 86.1 secs Computing kpt #: 215 total cpu time spent up to now is 86.5 secs Computing kpt #: 216 total cpu time spent up to now is 87.0 secs Computing kpt #: 217 total cpu time spent up to now is 87.4 secs Computing kpt #: 218 total cpu time spent up to now is 87.8 secs Computing kpt #: 219 total cpu time spent up to now is 88.2 secs Computing kpt #: 220 total cpu time spent up to now is 88.7 secs Computing kpt #: 221 total cpu time spent up to now is 89.1 secs Computing kpt #: 222 total cpu time spent up to now is 89.5 secs Computing kpt #: 223 total cpu time spent up to now is 90.0 secs Computing kpt #: 224 total cpu time spent up to now is 90.4 secs Computing kpt #: 225 total cpu time spent up to now is 90.9 secs Computing kpt #: 226 total cpu time spent up to now is 91.3 secs Computing kpt #: 227 total cpu time spent up to now is 91.7 secs Computing kpt #: 228 total cpu time spent up to now is 92.1 secs Computing kpt #: 229 total cpu time spent up to now is 92.5 secs Computing kpt #: 230 total cpu time spent up to now is 92.8 secs Computing kpt #: 231 total cpu time spent up to now is 93.1 secs Computing kpt #: 232 total cpu time spent up to now is 93.5 secs Computing kpt #: 233 total cpu time spent up to now is 93.8 secs Computing kpt #: 234 total cpu time spent up to now is 94.1 secs Computing kpt #: 235 total cpu time spent up to now is 94.5 secs Computing kpt #: 236 total cpu time spent up to now is 94.8 secs Computing kpt #: 237 total cpu time spent up to now is 95.1 secs Computing kpt #: 238 total cpu time spent up to now is 95.5 secs Computing kpt #: 239 total cpu time spent up to now is 95.8 secs Computing kpt #: 240 total cpu time spent up to now is 96.1 secs Computing kpt #: 241 total cpu time spent up to now is 96.4 secs Computing kpt #: 242 total cpu time spent up to now is 96.8 secs Computing kpt #: 243 total cpu time spent up to now is 97.1 secs Computing kpt #: 244 total cpu time spent up to now is 97.4 secs Computing kpt #: 245 total cpu time spent up to now is 97.8 secs Computing kpt #: 246 total cpu time spent up to now is 98.1 secs Computing kpt #: 247 total cpu time spent up to now is 98.4 secs Computing kpt #: 248 total cpu time spent up to now is 98.8 secs Computing kpt #: 249 total cpu time spent up to now is 99.1 secs Computing kpt #: 250 total cpu time spent up to now is 99.4 secs Computing kpt #: 251 total cpu time spent up to now is 99.8 secs Computing kpt #: 252 total cpu time spent up to now is 100.1 secs Computing kpt #: 253 total cpu time spent up to now is 100.4 secs Computing kpt #: 254 total cpu time spent up to now is 100.8 secs Computing kpt #: 255 total cpu time spent up to now is 101.1 secs Computing kpt #: 256 total cpu time spent up to now is 101.4 secs Computing kpt #: 257 total cpu time spent up to now is 101.8 secs Computing kpt #: 258 total cpu time spent up to now is 102.1 secs Computing kpt #: 259 total cpu time spent up to now is 102.4 secs Computing kpt #: 260 total cpu time spent up to now is 102.8 secs Computing kpt #: 261 total cpu time spent up to now is 103.1 secs Computing kpt #: 262 total cpu time spent up to now is 103.4 secs Computing kpt #: 263 total cpu time spent up to now is 103.7 secs Computing kpt #: 264 total cpu time spent up to now is 104.0 secs Computing kpt #: 265 total cpu time spent up to now is 104.4 secs Computing kpt #: 266 total cpu time spent up to now is 104.7 secs Computing kpt #: 267 total cpu time spent up to now is 105.0 secs Computing kpt #: 268 total cpu time spent up to now is 105.3 secs Computing kpt #: 269 total cpu time spent up to now is 105.7 secs Computing kpt #: 270 total cpu time spent up to now is 106.0 secs Computing kpt #: 271 total cpu time spent up to now is 106.3 secs Computing kpt #: 272 total cpu time spent up to now is 106.7 secs Computing kpt #: 273 total cpu time spent up to now is 107.0 secs Computing kpt #: 274 total cpu time spent up to now is 107.3 secs Computing kpt #: 275 total cpu time spent up to now is 107.7 secs Computing kpt #: 276 total cpu time spent up to now is 108.0 secs Computing kpt #: 277 total cpu time spent up to now is 108.5 secs Computing kpt #: 278 total cpu time spent up to now is 108.8 secs Computing kpt #: 279 total cpu time spent up to now is 109.1 secs Computing kpt #: 280 total cpu time spent up to now is 109.5 secs Computing kpt #: 281 total cpu time spent up to now is 109.9 secs Computing kpt #: 282 total cpu time spent up to now is 110.3 secs Computing kpt #: 283 total cpu time spent up to now is 110.7 secs Computing kpt #: 284 total cpu time spent up to now is 111.2 secs Computing kpt #: 285 total cpu time spent up to now is 111.6 secs Computing kpt #: 286 total cpu time spent up to now is 112.0 secs Computing kpt #: 287 total cpu time spent up to now is 112.4 secs Computing kpt #: 288 total cpu time spent up to now is 112.9 secs Computing kpt #: 289 total cpu time spent up to now is 113.3 secs Computing kpt #: 290 total cpu time spent up to now is 113.7 secs Computing kpt #: 291 total cpu time spent up to now is 114.1 secs Computing kpt #: 292 total cpu time spent up to now is 114.5 secs Computing kpt #: 293 total cpu time spent up to now is 115.0 secs Computing kpt #: 294 total cpu time spent up to now is 115.4 secs Computing kpt #: 295 total cpu time spent up to now is 115.8 secs Computing kpt #: 296 total cpu time spent up to now is 116.2 secs Computing kpt #: 297 total cpu time spent up to now is 116.5 secs Computing kpt #: 298 total cpu time spent up to now is 116.9 secs Computing kpt #: 299 total cpu time spent up to now is 117.2 secs Computing kpt #: 300 total cpu time spent up to now is 117.6 secs Computing kpt #: 301 total cpu time spent up to now is 117.9 secs Computing kpt #: 302 total cpu time spent up to now is 118.3 secs Computing kpt #: 303 total cpu time spent up to now is 118.6 secs Computing kpt #: 304 total cpu time spent up to now is 119.0 secs Computing kpt #: 305 total cpu time spent up to now is 119.3 secs Computing kpt #: 306 total cpu time spent up to now is 119.7 secs Computing kpt #: 307 total cpu time spent up to now is 120.0 secs Computing kpt #: 308 total cpu time spent up to now is 120.3 secs Computing kpt #: 309 total cpu time spent up to now is 120.7 secs Computing kpt #: 310 total cpu time spent up to now is 121.0 secs Computing kpt #: 311 total cpu time spent up to now is 121.3 secs Computing kpt #: 312 total cpu time spent up to now is 121.7 secs Computing kpt #: 313 total cpu time spent up to now is 122.0 secs Computing kpt #: 314 total cpu time spent up to now is 122.4 secs Computing kpt #: 315 total cpu time spent up to now is 122.7 secs Computing kpt #: 316 total cpu time spent up to now is 123.0 secs Computing kpt #: 317 total cpu time spent up to now is 123.3 secs Computing kpt #: 318 total cpu time spent up to now is 123.7 secs Computing kpt #: 319 total cpu time spent up to now is 124.0 secs Computing kpt #: 320 total cpu time spent up to now is 124.3 secs Computing kpt #: 321 total cpu time spent up to now is 124.7 secs Computing kpt #: 322 total cpu time spent up to now is 125.0 secs Computing kpt #: 323 total cpu time spent up to now is 125.3 secs Computing kpt #: 324 total cpu time spent up to now is 125.7 secs Computing kpt #: 325 total cpu time spent up to now is 126.0 secs Computing kpt #: 326 total cpu time spent up to now is 126.3 secs Computing kpt #: 327 total cpu time spent up to now is 126.7 secs ethr = 3.33E-08, avg # of iterations = 20.9 total cpu time spent up to now is 126.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4261 PWs) bands (ev): -23.1133 -23.1133 -23.0630 -23.0630 -10.0696 -10.0696 -7.9151 -7.9151 -7.7427 -7.7427 -7.1130 -7.1130 -7.0141 -7.0141 -6.8913 -6.8913 -6.8337 -6.8337 -6.4681 -6.4681 -0.4903 -0.4903 0.8073 0.8073 0.8693 0.8693 3.0594 3.0594 3.2119 3.2119 5.8316 5.8316 6.3551 6.3551 7.7995 7.7995 8.7109 8.7109 k =-0.0079 0.0081 0.0156 ( 4273 PWs) bands (ev): -23.1133 -23.1133 -23.0630 -23.0630 -10.0698 -10.0698 -7.9152 -7.9152 -7.7425 -7.7425 -7.1131 -7.1131 -7.0142 -7.0142 -6.8909 -6.8909 -6.8339 -6.8339 -6.4680 -6.4680 -0.4904 -0.4904 0.8075 0.8075 0.8691 0.8691 3.0588 3.0588 3.2116 3.2116 5.8345 5.8345 6.3554 6.3554 7.8012 7.8012 8.7119 8.7119 k =-0.0159 0.0162 0.0311 ( 4277 PWs) bands (ev): -23.1132 -23.1132 -23.0630 -23.0630 -10.0704 -10.0704 -7.9155 -7.9155 -7.7422 -7.7422 -7.1134 -7.1134 -7.0146 -7.0146 -6.8900 -6.8900 -6.8342 -6.8342 -6.4677 -6.4677 -0.4905 -0.4905 0.8080 0.8080 0.8686 0.8686 3.0573 3.0573 3.2105 3.2105 5.8434 5.8434 6.3563 6.3563 7.8063 7.8063 8.7150 8.7150 k =-0.0238 0.0243 0.0467 ( 4277 PWs) bands (ev): -23.1131 -23.1131 -23.0631 -23.0631 -10.0714 -10.0714 -7.9160 -7.9160 -7.7415 -7.7415 -7.1138 -7.1138 -7.0152 -7.0152 -6.8884 -6.8884 -6.8348 -6.8348 -6.4673 -6.4673 -0.4907 -0.4907 0.8088 0.8088 0.8679 0.8679 3.0547 3.0547 3.2086 3.2086 5.8582 5.8582 6.3579 6.3579 7.8148 7.8148 8.7202 8.7202 k =-0.0317 0.0324 0.0623 ( 4271 PWs) bands (ev): -23.1129 -23.1129 -23.0632 -23.0632 -10.0728 -10.0728 -7.9168 -7.9168 -7.7407 -7.7407 -7.1144 -7.1144 -7.0161 -7.0161 -6.8862 -6.8862 -6.8357 -6.8357 -6.4666 -6.4666 -0.4910 -0.4910 0.8096 0.8096 0.8673 0.8673 3.0511 3.0511 3.2061 3.2061 5.8786 5.8786 6.3599 6.3599 7.8266 7.8266 8.7275 8.7275 k =-0.0397 0.0405 0.0778 ( 4281 PWs) bands (ev): -23.1127 -23.1127 -23.0633 -23.0633 -10.0745 -10.0745 -7.9177 -7.9177 -7.7396 -7.7396 -7.1152 -7.1152 -7.0171 -7.0171 -6.8835 -6.8835 -6.8368 -6.8368 -6.4656 -6.4656 -0.4914 -0.4914 0.8102 0.8102 0.8670 0.8670 3.0466 3.0466 3.2029 3.2029 5.9046 5.9046 6.3625 6.3625 7.8418 7.8418 8.7369 8.7369 k =-0.0476 0.0486 0.0934 ( 4289 PWs) bands (ev): -23.1125 -23.1125 -23.0634 -23.0634 -10.0767 -10.0767 -7.9187 -7.9187 -7.7384 -7.7384 -7.1160 -7.1160 -7.0182 -7.0182 -6.8803 -6.8803 -6.8383 -6.8383 -6.4644 -6.4644 -0.4918 -0.4918 0.8101 0.8101 0.8674 0.8674 3.0413 3.0413 3.1990 3.1990 5.9357 5.9357 6.3656 6.3656 7.8603 7.8603 8.7485 8.7485 k =-0.0555 0.0567 0.1089 ( 4277 PWs) bands (ev): -23.1122 -23.1122 -23.0635 -23.0635 -10.0792 -10.0792 -7.9198 -7.9198 -7.7371 -7.7371 -7.1170 -7.1170 -7.0195 -7.0195 -6.8768 -6.8768 -6.8402 -6.8402 -6.4628 -6.4628 -0.4922 -0.4922 0.8090 0.8090 0.8689 0.8689 3.0352 3.0352 3.1945 3.1945 5.9717 5.9717 6.3690 6.3690 7.8819 7.8819 8.7623 8.7623 k =-0.0635 0.0648 0.1245 ( 4279 PWs) bands (ev): -23.1119 -23.1119 -23.0637 -23.0637 -10.0820 -10.0820 -7.9210 -7.9210 -7.7357 -7.7357 -7.1180 -7.1180 -7.0208 -7.0208 -6.8729 -6.8729 -6.8425 -6.8425 -6.4608 -6.4608 -0.4926 -0.4926 0.8069 0.8069 0.8717 0.8717 3.0284 3.0284 3.1894 3.1894 6.0122 6.0122 6.3727 6.3727 7.9067 7.9067 8.7782 8.7782 k =-0.0714 0.0729 0.1401 ( 4279 PWs) bands (ev): -23.1115 -23.1115 -23.0639 -23.0639 -10.0852 -10.0852 -7.9222 -7.9222 -7.7342 -7.7342 -7.1190 -7.1190 -7.0221 -7.0221 -6.8688 -6.8688 -6.8452 -6.8452 -6.4584 -6.4584 -0.4930 -0.4930 0.8035 0.8035 0.8757 0.8757 3.0211 3.0211 3.1838 3.1838 6.0567 6.0567 6.3766 6.3766 7.9344 7.9344 8.7963 8.7963 k =-0.0793 0.0810 0.1556 ( 4279 PWs) bands (ev): -23.1111 -23.1111 -23.0641 -23.0641 -10.0886 -10.0886 -7.9235 -7.9235 -7.7327 -7.7327 -7.1200 -7.1200 -7.0233 -7.0233 -6.8645 -6.8645 -6.8484 -6.8484 -6.4555 -6.4555 -0.4934 -0.4934 0.7992 0.7992 0.8808 0.8808 3.0134 3.0134 3.1777 3.1777 6.1047 6.1047 6.3806 6.3806 7.9651 7.9651 8.8164 8.8164 k =-0.0873 0.0891 0.1712 ( 4275 PWs) bands (ev): -23.1106 -23.1106 -23.0644 -23.0644 -10.0923 -10.0923 -7.9247 -7.9247 -7.7313 -7.7313 -7.1211 -7.1211 -7.0244 -7.0244 -6.8602 -6.8602 -6.8521 -6.8521 -6.4520 -6.4520 -0.4937 -0.4937 0.7942 0.7942 0.8868 0.8868 3.0053 3.0053 3.1712 3.1712 6.1556 6.1556 6.3846 6.3846 7.9986 7.9986 8.8384 8.8384 k =-0.0952 0.0971 0.1868 ( 4279 PWs) bands (ev): -23.1101 -23.1101 -23.0646 -23.0646 -10.0963 -10.0963 -7.9258 -7.9258 -7.7299 -7.7299 -7.1221 -7.1221 -7.0254 -7.0254 -6.8575 -6.8575 -6.8547 -6.8547 -6.4480 -6.4480 -0.4939 -0.4939 0.7886 0.7886 0.8935 0.8935 2.9970 2.9970 3.1643 3.1643 6.2087 6.2087 6.3887 6.3887 8.0346 8.0346 8.8618 8.8618 k =-0.1031 0.1052 0.2023 ( 4275 PWs) bands (ev): -23.1096 -23.1096 -23.0649 -23.0649 -10.1005 -10.1005 -7.9269 -7.9269 -7.7287 -7.7287 -7.1231 -7.1231 -7.0261 -7.0261 -6.8618 -6.8618 -6.8508 -6.8508 -6.4433 -6.4433 -0.4941 -0.4941 0.7827 0.7827 0.9006 0.9006 2.9887 2.9887 3.1571 3.1571 6.2632 6.2632 6.3927 6.3927 8.0731 8.0731 8.8860 8.8860 k =-0.1111 0.1133 0.2179 ( 4283 PWs) bands (ev): -23.1090 -23.1090 -23.0652 -23.0652 -10.1048 -10.1048 -7.9278 -7.9278 -7.7276 -7.7276 -7.1240 -7.1240 -7.0265 -7.0265 -6.8673 -6.8673 -6.8464 -6.8464 -6.4380 -6.4380 -0.4940 -0.4940 0.7767 0.7767 0.9080 0.9080 2.9804 2.9804 3.1496 3.1496 6.3181 6.3181 6.3969 6.3969 8.1139 8.1139 8.9101 8.9101 k =-0.1190 0.1214 0.2335 ( 4279 PWs) bands (ev): -23.1085 -23.1085 -23.0655 -23.0655 -10.1094 -10.1094 -7.9286 -7.9286 -7.7268 -7.7268 -7.1250 -7.1250 -7.0266 -7.0266 -6.8735 -6.8735 -6.8421 -6.8421 -6.4320 -6.4320 -0.4939 -0.4939 0.7706 0.7706 0.9154 0.9154 2.9722 2.9722 3.1419 3.1419 6.3707 6.3707 6.4030 6.4030 8.1568 8.1568 8.9323 8.9323 k =-0.1269 0.1295 0.2490 ( 4271 PWs) bands (ev): -23.1078 -23.1078 -23.0659 -23.0659 -10.1140 -10.1140 -7.9292 -7.9292 -7.7262 -7.7262 -7.1258 -7.1258 -7.0263 -7.0263 -6.8803 -6.8803 -6.8378 -6.8378 -6.4253 -6.4253 -0.4935 -0.4935 0.7648 0.7648 0.9226 0.9226 2.9643 2.9643 3.1341 3.1341 6.3978 6.3978 6.4332 6.4332 8.2016 8.2016 8.9501 8.9501 k =-0.1349 0.1376 0.2646 ( 4271 PWs) bands (ev): -23.1072 -23.1072 -23.0663 -23.0663 -10.1188 -10.1188 -7.9296 -7.9296 -7.7259 -7.7259 -7.1266 -7.1266 -7.0256 -7.0256 -6.8877 -6.8877 -6.8337 -6.8337 -6.4180 -6.4180 -0.4930 -0.4930 0.7591 0.7591 0.9296 0.9296 2.9568 2.9568 3.1262 3.1262 6.4028 6.4028 6.4831 6.4831 8.2480 8.2480 8.9595 8.9595 k =-0.1428 0.1457 0.2801 ( 4273 PWs) bands (ev): -23.1066 -23.1066 -23.0666 -23.0666 -10.1236 -10.1236 -7.9299 -7.9299 -7.7260 -7.7260 -7.1274 -7.1274 -7.0244 -7.0244 -6.8957 -6.8957 -6.8298 -6.8298 -6.4099 -6.4099 -0.4923 -0.4923 0.7539 0.7539 0.9361 0.9361 2.9497 2.9497 3.1184 3.1184 6.4057 6.4057 6.5317 6.5317 8.2959 8.2959 8.9559 8.9559 k =-0.1507 0.1538 0.2957 ( 4265 PWs) bands (ev): -23.1059 -23.1059 -23.0671 -23.0671 -10.1285 -10.1285 -7.9299 -7.9299 -7.7264 -7.7264 -7.1280 -7.1280 -7.0228 -7.0228 -6.9043 -6.9043 -6.8261 -6.8261 -6.4012 -6.4012 -0.4914 -0.4914 0.7490 0.7490 0.9421 0.9421 2.9433 2.9433 3.1106 3.1106 6.4078 6.4078 6.5766 6.5766 8.3451 8.3451 8.9348 8.9348 k =-0.1587 0.1619 0.3113 ( 4267 PWs) bands (ev): -23.1052 -23.1052 -23.0675 -23.0675 -10.1334 -10.1334 -7.9297 -7.9297 -7.7272 -7.7272 -7.1285 -7.1285 -7.0208 -7.0208 -6.9133 -6.9133 -6.8226 -6.8226 -6.3919 -6.3919 -0.4903 -0.4903 0.7447 0.7447 0.9473 0.9473 2.9374 2.9374 3.1029 3.1029 6.4095 6.4095 6.6168 6.6168 8.3953 8.3953 8.8951 8.8951 k =-0.1666 0.1700 0.3268 ( 4267 PWs) bands (ev): -23.1045 -23.1045 -23.0680 -23.0680 -10.1383 -10.1383 -7.9292 -7.9292 -7.7284 -7.7284 -7.1289 -7.1289 -7.0182 -7.0182 -6.9228 -6.9228 -6.8194 -6.8194 -6.3820 -6.3820 -0.4889 -0.4889 0.7410 0.7410 0.9516 0.9516 2.9324 2.9324 3.0954 3.0954 6.4106 6.4106 6.6514 6.6514 8.4464 8.4464 8.8395 8.8395 k =-0.1745 0.1781 0.3424 ( 4261 PWs) bands (ev): -23.1038 -23.1038 -23.0684 -23.0684 -10.1431 -10.1431 -7.9285 -7.9285 -7.7302 -7.7302 -7.1290 -7.1290 -7.0153 -7.0153 -6.9326 -6.9326 -6.8164 -6.8164 -6.3714 -6.3714 -0.4874 -0.4874 0.7379 0.7379 0.9550 0.9550 2.9281 2.9281 3.0881 3.0881 6.4113 6.4113 6.6800 6.6800 8.4978 8.4978 8.7727 8.7727 k =-0.1825 0.1862 0.3580 ( 4265 PWs) bands (ev): -23.1031 -23.1031 -23.0689 -23.0689 -10.1479 -10.1479 -7.9275 -7.9275 -7.7324 -7.7324 -7.1290 -7.1290 -7.0120 -7.0120 -6.9427 -6.9427 -6.8137 -6.8137 -6.3604 -6.3604 -0.4857 -0.4857 0.7355 0.7355 0.9573 0.9573 2.9248 2.9248 3.0812 3.0812 6.4115 6.4115 6.7022 6.7022 8.5492 8.5492 8.6993 8.6993 k =-0.1904 0.1943 0.3735 ( 4257 PWs) bands (ev): -23.1024 -23.1024 -23.0694 -23.0694 -10.1526 -10.1526 -7.9264 -7.9264 -7.7350 -7.7350 -7.1287 -7.1287 -7.0086 -7.0086 -6.9529 -6.9529 -6.8112 -6.8112 -6.3488 -6.3488 -0.4838 -0.4838 0.7338 0.7338 0.9584 0.9584 2.9223 2.9223 3.0746 3.0746 6.4113 6.4113 6.7181 6.7181 8.5986 8.5986 8.6236 8.6236 k =-0.1983 0.2024 0.3891 ( 4261 PWs) bands (ev): -23.1016 -23.1016 -23.0700 -23.0700 -10.1571 -10.1571 -7.9249 -7.9249 -7.7382 -7.7382 -7.1282 -7.1282 -7.0052 -7.0052 -6.9628 -6.9628 -6.8090 -6.8090 -6.3368 -6.3368 -0.4818 -0.4818 0.7329 0.7329 0.9583 0.9583 2.9209 2.9209 3.0684 3.0684 6.4106 6.4106 6.7278 6.7278 8.5443 8.5443 8.6490 8.6490 k =-0.2063 0.2105 0.4047 ( 4251 PWs) bands (ev): -23.1009 -23.1009 -23.0705 -23.0705 -10.1615 -10.1615 -7.9233 -7.9233 -7.7419 -7.7419 -7.1274 -7.1274 -7.0027 -7.0027 -6.9716 -6.9716 -6.8071 -6.8071 -6.3244 -6.3244 -0.4796 -0.4796 0.7328 0.7328 0.9568 0.9568 2.9205 2.9205 3.0627 3.0627 6.4095 6.4095 6.7319 6.7319 8.4675 8.4675 8.6946 8.6946 k =-0.2142 0.2186 0.4202 ( 4247 PWs) bands (ev): -23.1002 -23.1002 -23.0711 -23.0711 -10.1658 -10.1658 -7.9214 -7.9214 -7.7460 -7.7460 -7.1262 -7.1262 -7.0030 -7.0030 -6.9774 -6.9774 -6.8054 -6.8054 -6.3116 -6.3116 -0.4774 -0.4774 0.7335 0.7335 0.9538 0.9538 2.9211 2.9211 3.0575 3.0575 6.4080 6.4080 6.7311 6.7311 8.3923 8.3923 8.7358 8.7358 k =-0.2221 0.2267 0.4358 ( 4253 PWs) bands (ev): -23.0995 -23.0995 -23.0717 -23.0717 -10.1698 -10.1698 -7.9193 -7.9193 -7.7506 -7.7506 -7.1249 -7.1249 -7.0083 -7.0083 -6.9779 -6.9779 -6.8040 -6.8040 -6.2985 -6.2985 -0.4751 -0.4751 0.7351 0.7351 0.9494 0.9494 2.9228 2.9228 3.0528 3.0528 6.4062 6.4062 6.7259 6.7259 8.3197 8.3197 8.7712 8.7712 k =-0.2301 0.2348 0.4513 ( 4263 PWs) bands (ev): -23.0988 -23.0988 -23.0723 -23.0723 -10.1737 -10.1737 -7.9171 -7.9171 -7.7557 -7.7557 -7.1233 -7.1233 -7.0170 -7.0170 -6.9746 -6.9746 -6.8029 -6.8029 -6.2851 -6.2851 -0.4728 -0.4728 0.7375 0.7375 0.9435 0.9435 2.9256 2.9256 3.0487 3.0487 6.4039 6.4039 6.7173 6.7173 8.2502 8.2502 8.7998 8.7998 k =-0.2380 0.2429 0.4669 ( 4261 PWs) bands (ev): -23.0981 -23.0981 -23.0729 -23.0729 -10.1774 -10.1774 -7.9147 -7.9147 -7.7610 -7.7610 -7.1216 -7.1216 -7.0270 -7.0270 -6.9696 -6.9696 -6.8021 -6.8021 -6.2715 -6.2715 -0.4704 -0.4704 0.7407 0.7407 0.9361 0.9361 2.9294 2.9294 3.0453 3.0453 6.4012 6.4012 6.7061 6.7061 8.1842 8.1842 8.8208 8.8208 k =-0.2459 0.2510 0.4825 ( 4255 PWs) bands (ev): -23.0974 -23.0974 -23.0735 -23.0735 -10.1808 -10.1808 -7.9122 -7.9122 -7.7667 -7.7667 -7.1199 -7.1199 -7.0370 -7.0370 -6.9638 -6.9638 -6.8015 -6.8015 -6.2576 -6.2576 -0.4682 -0.4682 0.7448 0.7448 0.9271 0.9271 2.9344 2.9344 3.0425 3.0425 6.3982 6.3982 6.6929 6.6929 8.1221 8.1221 8.8337 8.8337 k =-0.2539 0.2591 0.4980 ( 4260 PWs) bands (ev): -23.0967 -23.0967 -23.0742 -23.0742 -10.1840 -10.1840 -7.9098 -7.9098 -7.7726 -7.7726 -7.1186 -7.1186 -7.0467 -7.0467 -6.9575 -6.9575 -6.8011 -6.8011 -6.2437 -6.2437 -0.4660 -0.4660 0.7497 0.7497 0.9165 0.9165 2.9403 2.9403 3.0404 3.0404 6.3949 6.3949 6.6785 6.6785 8.0641 8.0641 8.8384 8.8384 k =-0.2618 0.2672 0.5136 ( 4260 PWs) bands (ev): -23.0960 -23.0960 -23.0748 -23.0748 -10.1870 -10.1870 -7.9073 -7.9073 -7.7786 -7.7786 -7.1180 -7.1180 -7.0552 -7.0552 -6.9509 -6.9509 -6.8010 -6.8010 -6.2297 -6.2297 -0.4639 -0.4639 0.7555 0.7555 0.9045 0.9045 2.9473 2.9473 3.0391 3.0391 6.3913 6.3913 6.6634 6.6634 8.0104 8.0104 8.8353 8.8353 k =-0.2697 0.2753 0.5292 ( 4272 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1897 -10.1897 -7.9051 -7.9051 -7.7845 -7.7845 -7.1189 -7.1189 -7.0619 -7.0619 -6.9441 -6.9441 -6.8012 -6.8012 -6.2156 -6.2156 -0.4620 -0.4620 0.7620 0.7620 0.8909 0.8909 2.9552 2.9552 3.0386 3.0386 6.3873 6.3873 6.6484 6.6484 7.9611 7.9611 8.8245 8.8245 k =-0.2777 0.2833 0.5447 ( 4272 PWs) bands (ev): -23.0947 -23.0947 -23.0761 -23.0761 -10.1922 -10.1922 -7.9031 -7.9031 -7.7902 -7.7902 -7.1220 -7.1220 -7.0659 -7.0659 -6.9371 -6.9371 -6.8016 -6.8016 -6.2015 -6.2015 -0.4603 -0.4603 0.7693 0.7693 0.8759 0.8759 2.9639 2.9639 3.0390 3.0390 6.3831 6.3831 6.6337 6.6337 7.9165 7.9165 8.8068 8.8068 k =-0.2856 0.2914 0.5603 ( 4270 PWs) bands (ev): -23.0941 -23.0941 -23.0768 -23.0768 -10.1944 -10.1944 -7.9017 -7.9017 -7.7954 -7.7954 -7.1276 -7.1276 -7.0671 -7.0671 -6.9300 -6.9300 -6.8022 -6.8022 -6.1875 -6.1875 -0.4587 -0.4587 0.7774 0.7774 0.8597 0.8597 2.9732 2.9732 3.0403 3.0403 6.3786 6.3786 6.6198 6.6198 7.8764 7.8764 8.7828 8.7828 k =-0.2935 0.2995 0.5759 ( 4278 PWs) bands (ev): -23.0935 -23.0935 -23.0774 -23.0774 -10.1964 -10.1964 -7.9009 -7.9009 -7.7999 -7.7999 -7.1352 -7.1352 -7.0658 -7.0658 -6.9229 -6.9229 -6.8031 -6.8031 -6.1735 -6.1735 -0.4574 -0.4574 0.7860 0.7860 0.8421 0.8421 2.9830 2.9830 3.0429 3.0429 6.3739 6.3739 6.6071 6.6071 7.8411 7.8411 8.7530 8.7530 k =-0.3015 0.3076 0.5914 ( 4282 PWs) bands (ev): -23.0930 -23.0930 -23.0781 -23.0781 -10.1982 -10.1982 -7.9011 -7.9011 -7.8034 -7.8034 -7.1441 -7.1441 -7.0626 -7.0626 -6.9157 -6.9157 -6.8042 -6.8042 -6.1597 -6.1597 -0.4563 -0.4563 0.7950 0.7950 0.8238 0.8238 2.9930 2.9930 3.0468 3.0468 6.3690 6.3690 6.5957 6.5957 7.8105 7.8105 8.7182 8.7182 k =-0.3094 0.3157 0.6070 ( 4284 PWs) bands (ev): -23.0924 -23.0924 -23.0788 -23.0788 -10.1997 -10.1997 -7.9024 -7.9024 -7.8058 -7.8058 -7.1539 -7.1539 -7.0582 -7.0582 -6.9085 -6.9085 -6.8056 -6.8056 -6.1461 -6.1461 -0.4554 -0.4554 0.7989 0.7989 0.8101 0.8101 3.0026 3.0026 3.0525 3.0525 6.3639 6.3639 6.5860 6.5860 7.7846 7.7846 8.6792 8.6792 k =-0.3173 0.3238 0.6225 ( 4288 PWs) bands (ev): -23.0919 -23.0919 -23.0794 -23.0794 -10.2010 -10.2010 -7.9049 -7.9049 -7.8067 -7.8067 -7.1641 -7.1641 -7.0530 -7.0530 -6.9013 -6.9013 -6.8071 -6.8071 -6.1326 -6.1326 -0.4548 -0.4548 0.7812 0.7812 0.8176 0.8176 3.0115 3.0115 3.0603 3.0603 6.3586 6.3586 6.5781 6.5781 7.7634 7.7634 8.6365 8.6365 k =-0.3253 0.3319 0.6381 ( 4280 PWs) bands (ev): -23.0914 -23.0914 -23.0801 -23.0801 -10.2021 -10.2021 -7.9086 -7.9086 -7.8063 -7.8063 -7.1745 -7.1745 -7.0471 -7.0471 -6.8941 -6.8941 -6.8089 -6.8089 -6.1195 -6.1195 -0.4544 -0.4544 0.7598 0.7598 0.8284 0.8284 3.0195 3.0195 3.0702 3.0702 6.3532 6.3532 6.5720 6.5720 7.7468 7.7468 8.5908 8.5908 k =-0.3332 0.3400 0.6537 ( 4272 PWs) bands (ev): -23.0909 -23.0909 -23.0807 -23.0807 -10.2030 -10.2030 -7.9134 -7.9134 -7.8047 -7.8047 -7.1849 -7.1849 -7.0408 -7.0408 -6.8871 -6.8871 -6.8109 -6.8109 -6.1066 -6.1066 -0.4543 -0.4543 0.7376 0.7376 0.8398 0.8398 3.0266 3.0266 3.0822 3.0822 6.3478 6.3478 6.5678 6.5678 7.7348 7.7348 8.5429 8.5429 k =-0.3332 0.3400 0.6537 ( 4272 PWs) bands (ev): -23.0909 -23.0909 -23.0807 -23.0807 -10.2030 -10.2030 -7.9134 -7.9134 -7.8047 -7.8047 -7.1849 -7.1849 -7.0408 -7.0408 -6.8871 -6.8871 -6.8109 -6.8109 -6.1066 -6.1066 -0.4543 -0.4543 0.7376 0.7376 0.8398 0.8398 3.0266 3.0266 3.0822 3.0822 6.3478 6.3478 6.5678 6.5678 7.7348 7.7348 8.5429 8.5429 k =-0.3229 0.3295 0.6644 ( 4276 PWs) bands (ev): -23.0909 -23.0909 -23.0807 -23.0807 -10.2030 -10.2030 -7.9136 -7.9136 -7.8045 -7.8045 -7.1850 -7.1850 -7.0407 -7.0407 -6.8870 -6.8870 -6.8110 -6.8110 -6.1069 -6.1069 -0.4536 -0.4536 0.7380 0.7380 0.8397 0.8397 3.0261 3.0261 3.0815 3.0815 6.3394 6.3394 6.5733 6.5733 7.7370 7.7370 8.5483 8.5483 k =-0.3125 0.3189 0.6752 ( 4275 PWs) bands (ev): -23.0909 -23.0909 -23.0806 -23.0806 -10.2027 -10.2027 -7.9142 -7.9142 -7.8038 -7.8038 -7.1853 -7.1853 -7.0402 -7.0402 -6.8868 -6.8868 -6.8112 -6.8112 -6.1079 -6.1079 -0.4514 -0.4514 0.7392 0.7392 0.8393 0.8393 3.0246 3.0246 3.0796 3.0796 6.3160 6.3160 6.5882 6.5882 7.7437 7.7437 8.5642 8.5642 k =-0.3022 0.3083 0.6860 ( 4271 PWs) bands (ev): -23.0910 -23.0910 -23.0806 -23.0806 -10.2024 -10.2024 -7.9151 -7.9151 -7.8028 -7.8028 -7.1857 -7.1857 -7.0394 -7.0394 -6.8865 -6.8865 -6.8116 -6.8116 -6.1096 -6.1096 -0.4479 -0.4479 0.7412 0.7412 0.8388 0.8388 3.0221 3.0221 3.0765 3.0765 6.2810 6.2810 6.6098 6.6098 7.7548 7.7548 8.5898 8.5898 k =-0.2918 0.2978 0.6967 ( 4273 PWs) bands (ev): -23.0911 -23.0911 -23.0805 -23.0805 -10.2018 -10.2018 -7.9164 -7.9164 -7.8014 -7.8014 -7.1863 -7.1863 -7.0383 -7.0383 -6.8862 -6.8862 -6.8122 -6.8122 -6.1119 -6.1119 -0.4430 -0.4430 0.7440 0.7440 0.8380 0.8380 3.0186 3.0186 3.0722 3.0722 6.2374 6.2374 6.6361 6.6361 7.7703 7.7703 8.6236 8.6236 k =-0.2815 0.2872 0.7075 ( 4273 PWs) bands (ev): -23.0912 -23.0912 -23.0804 -23.0804 -10.2012 -10.2012 -7.9180 -7.9180 -7.7997 -7.7997 -7.1872 -7.1872 -7.0368 -7.0368 -6.8857 -6.8857 -6.8130 -6.8130 -6.1149 -6.1149 -0.4368 -0.4368 0.7476 0.7476 0.8370 0.8370 3.0143 3.0143 3.0668 3.0668 6.1872 6.1872 6.6664 6.6664 7.7901 7.7901 8.6636 8.6636 k =-0.2711 0.2767 0.7183 ( 4273 PWs) bands (ev): -23.0914 -23.0914 -23.0802 -23.0802 -10.2003 -10.2003 -7.9198 -7.9198 -7.7976 -7.7976 -7.1884 -7.1884 -7.0348 -7.0348 -6.8851 -6.8851 -6.8138 -6.8138 -6.1185 -6.1185 -0.4294 -0.4294 0.7518 0.7518 0.8357 0.8357 3.0091 3.0091 3.0604 3.0604 6.1321 6.1321 6.7003 6.7003 7.8140 7.8140 8.7071 8.7071 k =-0.2608 0.2661 0.7290 ( 4269 PWs) bands (ev): -23.0916 -23.0916 -23.0800 -23.0800 -10.1994 -10.1994 -7.9218 -7.9218 -7.7953 -7.7953 -7.1899 -7.1899 -7.0323 -7.0323 -6.8845 -6.8845 -6.8149 -6.8149 -6.1227 -6.1227 -0.4210 -0.4210 0.7567 0.7567 0.8343 0.8343 3.0032 3.0032 3.0533 3.0533 6.0734 6.0734 6.7378 6.7378 7.8420 7.8420 8.7503 8.7503 k =-0.2504 0.2556 0.7398 ( 4276 PWs) bands (ev): -23.0918 -23.0918 -23.0798 -23.0798 -10.1983 -10.1983 -7.9239 -7.9239 -7.7928 -7.7928 -7.1917 -7.1917 -7.0292 -7.0292 -6.8839 -6.8839 -6.8161 -6.8161 -6.1275 -6.1275 -0.4116 -0.4116 0.7622 0.7622 0.8326 0.8326 2.9965 2.9965 3.0454 3.0454 6.0125 6.0125 6.7789 6.7789 7.8739 7.8739 8.7857 8.7857 k =-0.2401 0.2450 0.7506 ( 4274 PWs) bands (ev): -23.0920 -23.0920 -23.0796 -23.0796 -10.1971 -10.1971 -7.9262 -7.9262 -7.7901 -7.7901 -7.1938 -7.1938 -7.0256 -7.0256 -6.8833 -6.8833 -6.8174 -6.8174 -6.1330 -6.1330 -0.4014 -0.4014 0.7683 0.7683 0.8308 0.8308 2.9893 2.9893 3.0371 3.0371 5.9504 5.9504 6.8235 6.8235 7.9095 7.9095 8.7985 8.7985 k =-0.2401 0.2450 0.7506 ( 4274 PWs) bands (ev): -23.0920 -23.0920 -23.0796 -23.0796 -10.1971 -10.1971 -7.9262 -7.9262 -7.7901 -7.7901 -7.1938 -7.1938 -7.0256 -7.0256 -6.8833 -6.8833 -6.8174 -6.8174 -6.1330 -6.1330 -0.4014 -0.4014 0.7683 0.7683 0.8308 0.8308 2.9893 2.9893 3.0371 3.0371 5.9504 5.9504 6.8235 6.8235 7.9095 7.9095 8.7985 8.7985 k =-0.2268 0.2314 0.7506 ( 4274 PWs) bands (ev): -23.0924 -23.0924 -23.0791 -23.0791 -10.1958 -10.1958 -7.9270 -7.9270 -7.7872 -7.7872 -7.1932 -7.1932 -7.0232 -7.0232 -6.8855 -6.8855 -6.8173 -6.8173 -6.1450 -6.1450 -0.3920 -0.3920 0.7850 0.7850 0.8232 0.8232 2.9771 2.9771 3.0238 3.0238 5.9045 5.9045 6.8646 6.8646 7.9473 7.9473 8.8019 8.8019 k =-0.2134 0.2178 0.7506 ( 4273 PWs) bands (ev): -23.0929 -23.0929 -23.0786 -23.0786 -10.1945 -10.1945 -7.9285 -7.9285 -7.7836 -7.7836 -7.1939 -7.1939 -7.0193 -7.0193 -6.8873 -6.8873 -6.8174 -6.8174 -6.1573 -6.1573 -0.3823 -0.3823 0.7984 0.7984 0.8187 0.8187 2.9639 2.9639 3.0113 3.0113 5.8594 5.8594 6.9086 6.9086 7.9884 7.9884 8.7676 8.7676 k =-0.2001 0.2042 0.7506 ( 4264 PWs) bands (ev): -23.0933 -23.0933 -23.0781 -23.0781 -10.1932 -10.1932 -7.9304 -7.9304 -7.7795 -7.7795 -7.1959 -7.1959 -7.0141 -7.0141 -6.8889 -6.8889 -6.8174 -6.8174 -6.1698 -6.1698 -0.3723 -0.3723 0.7997 0.7997 0.8261 0.8261 2.9499 2.9499 2.9999 2.9999 5.8154 5.8154 6.9554 6.9554 8.0326 8.0326 8.7150 8.7150 k =-0.1867 0.1906 0.7506 ( 4263 PWs) bands (ev): -23.0937 -23.0937 -23.0776 -23.0776 -10.1918 -10.1918 -7.9328 -7.9328 -7.7749 -7.7749 -7.1990 -7.1990 -7.0077 -7.0077 -6.8902 -6.8902 -6.8173 -6.8173 -6.1825 -6.1825 -0.3621 -0.3621 0.7934 0.7934 0.8406 0.8406 2.9353 2.9353 2.9892 2.9892 5.7728 5.7728 7.0048 7.0048 8.0796 8.0796 8.6555 8.6555 k =-0.1734 0.1769 0.7506 ( 4265 PWs) bands (ev): -23.0941 -23.0941 -23.0772 -23.0772 -10.1905 -10.1905 -7.9354 -7.9354 -7.7701 -7.7701 -7.2030 -7.2030 -7.0005 -7.0005 -6.8913 -6.8913 -6.8171 -6.8171 -6.1952 -6.1952 -0.3519 -0.3519 0.7860 0.7860 0.8560 0.8560 2.9205 2.9205 2.9792 2.9792 5.7320 5.7320 7.0568 7.0568 8.1292 8.1292 8.5934 8.5934 k =-0.1601 0.1633 0.7506 ( 4265 PWs) bands (ev): -23.0945 -23.0945 -23.0767 -23.0767 -10.1893 -10.1893 -7.9382 -7.9382 -7.7651 -7.7651 -7.2077 -7.2077 -6.9927 -6.9927 -6.8922 -6.8922 -6.8167 -6.8167 -6.2079 -6.2079 -0.3417 -0.3417 0.7784 0.7784 0.8710 0.8710 2.9059 2.9059 2.9699 2.9699 5.6931 5.6931 7.1109 7.1109 8.1809 8.1809 8.5307 8.5307 k =-0.1467 0.1497 0.7506 ( 4269 PWs) bands (ev): -23.0948 -23.0948 -23.0763 -23.0763 -10.1880 -10.1880 -7.9411 -7.9411 -7.7600 -7.7600 -7.2128 -7.2128 -6.9845 -6.9845 -6.8930 -6.8930 -6.8159 -6.8159 -6.2204 -6.2204 -0.3317 -0.3317 0.7709 0.7709 0.8854 0.8854 2.8917 2.8917 2.9611 2.9611 5.6566 5.6566 7.1670 7.1670 8.2344 8.2344 8.4684 8.4684 k =-0.1334 0.1361 0.7506 ( 4269 PWs) bands (ev): -23.0952 -23.0952 -23.0759 -23.0759 -10.1869 -10.1869 -7.9439 -7.9439 -7.7550 -7.7550 -7.2182 -7.2182 -6.9762 -6.9762 -6.8938 -6.8938 -6.8148 -6.8148 -6.2327 -6.2327 -0.3220 -0.3220 0.7638 0.7638 0.8989 0.8989 2.8781 2.8781 2.9529 2.9529 5.6225 5.6225 7.2248 7.2248 8.2893 8.2893 8.4069 8.4069 k =-0.1200 0.1225 0.7506 ( 4271 PWs) bands (ev): -23.0955 -23.0955 -23.0755 -23.0755 -10.1858 -10.1858 -7.9467 -7.9467 -7.7501 -7.7501 -7.2236 -7.2236 -6.9680 -6.9680 -6.8946 -6.8946 -6.8133 -6.8133 -6.2446 -6.2446 -0.3128 -0.3128 0.7570 0.7570 0.9115 0.9115 2.8652 2.8652 2.9453 2.9453 5.5911 5.5911 7.2838 7.2838 8.3430 8.3430 8.3486 8.3486 k =-0.1067 0.1089 0.7506 ( 4268 PWs) bands (ev): -23.0958 -23.0958 -23.0752 -23.0752 -10.1848 -10.1848 -7.9493 -7.9493 -7.7455 -7.7455 -7.2290 -7.2290 -6.9601 -6.9601 -6.8956 -6.8956 -6.8114 -6.8114 -6.2559 -6.2559 -0.3040 -0.3040 0.7506 0.7506 0.9230 0.9230 2.8534 2.8534 2.9383 2.9383 5.5625 5.5625 7.3439 7.3439 8.2871 8.2871 8.4014 8.4014 k =-0.0934 0.0953 0.7506 ( 4271 PWs) bands (ev): -23.0961 -23.0961 -23.0749 -23.0749 -10.1839 -10.1839 -7.9518 -7.9518 -7.7412 -7.7412 -7.2340 -7.2340 -6.9526 -6.9526 -6.8969 -6.8969 -6.8092 -6.8092 -6.2664 -6.2664 -0.2960 -0.2960 0.7448 0.7448 0.9334 0.9334 2.8426 2.8426 2.9320 2.9320 5.5370 5.5370 7.4046 7.4046 8.2290 8.2290 8.4571 8.4571 k =-0.0800 0.0817 0.7506 ( 4263 PWs) bands (ev): -23.0963 -23.0963 -23.0746 -23.0746 -10.1830 -10.1830 -7.9540 -7.9540 -7.7373 -7.7373 -7.2387 -7.2387 -6.9456 -6.9456 -6.8983 -6.8983 -6.8066 -6.8066 -6.2761 -6.2761 -0.2888 -0.2888 0.7396 0.7396 0.9426 0.9426 2.8331 2.8331 2.9264 2.9264 5.5146 5.5146 7.4655 7.4655 8.1718 8.1718 8.5116 8.5116 k =-0.0667 0.0681 0.7506 ( 4259 PWs) bands (ev): -23.0965 -23.0965 -23.0744 -23.0744 -10.1823 -10.1823 -7.9559 -7.9559 -7.7339 -7.7339 -7.2429 -7.2429 -6.9391 -6.9391 -6.9001 -6.9001 -6.8040 -6.8040 -6.2847 -6.2847 -0.2824 -0.2824 0.7351 0.7351 0.9505 0.9505 2.8248 2.8248 2.9215 2.9215 5.4954 5.4954 7.5263 7.5263 8.1155 8.1155 8.5637 8.5637 k =-0.0534 0.0544 0.7506 ( 4255 PWs) bands (ev): -23.0967 -23.0967 -23.0742 -23.0742 -10.1818 -10.1818 -7.9575 -7.9575 -7.7310 -7.7310 -7.2464 -7.2464 -6.9332 -6.9332 -6.9022 -6.9022 -6.8014 -6.8014 -6.2921 -6.2921 -0.2771 -0.2771 0.7313 0.7313 0.9570 0.9570 2.8180 2.8180 2.9175 2.9175 5.4797 5.4797 7.5866 7.5866 8.0598 8.0598 8.6120 8.6120 k =-0.0400 0.0408 0.7506 ( 4257 PWs) bands (ev): -23.0968 -23.0968 -23.0740 -23.0740 -10.1813 -10.1813 -7.9587 -7.9587 -7.7287 -7.7287 -7.2493 -7.2493 -6.9279 -6.9279 -6.9047 -6.9047 -6.7991 -6.7991 -6.2980 -6.2980 -0.2728 -0.2728 0.7283 0.7283 0.9621 0.9621 2.8126 2.8126 2.9143 2.9143 5.4673 5.4673 7.6458 7.6458 8.0048 8.0048 8.6546 8.6546 k =-0.0267 0.0272 0.7506 ( 4261 PWs) bands (ev): -23.0969 -23.0969 -23.0739 -23.0739 -10.1810 -10.1810 -7.9597 -7.9597 -7.7270 -7.7270 -7.2514 -7.2514 -6.9230 -6.9230 -6.9075 -6.9075 -6.7973 -6.7973 -6.3024 -6.3024 -0.2697 -0.2697 0.7261 0.7261 0.9658 0.9658 2.8087 2.8087 2.9121 2.9121 5.4584 5.4584 7.7032 7.7032 7.9509 7.9509 8.6886 8.6886 k =-0.0133 0.0136 0.7506 ( 4259 PWs) bands (ev): -23.0970 -23.0970 -23.0739 -23.0739 -10.1808 -10.1808 -7.9602 -7.9602 -7.7260 -7.7260 -7.2527 -7.2527 -6.9187 -6.9187 -6.9106 -6.9106 -6.7961 -6.7961 -6.3051 -6.3051 -0.2679 -0.2679 0.7247 0.7247 0.9681 0.9681 2.8063 2.8063 2.9107 2.9107 5.4531 5.4531 7.7556 7.7556 7.9007 7.9007 8.7111 8.7111 k = 0.0000 0.0000 0.7506 ( 4254 PWs) bands (ev): -23.0970 -23.0970 -23.0738 -23.0738 -10.1807 -10.1807 -7.9604 -7.9604 -7.7256 -7.7256 -7.2531 -7.2531 -6.9158 -6.9158 -6.9131 -6.9131 -6.7957 -6.7957 -6.3060 -6.3060 -0.2672 -0.2672 0.7243 0.7243 0.9688 0.9688 2.8055 2.8055 2.9102 2.9102 5.4513 5.4513 7.7848 7.7848 7.8722 7.8722 8.7190 8.7190 k = 0.0000 0.0000 0.7506 ( 4254 PWs) bands (ev): -23.0970 -23.0970 -23.0738 -23.0738 -10.1807 -10.1807 -7.9604 -7.9604 -7.7256 -7.7256 -7.2531 -7.2531 -6.9158 -6.9158 -6.9131 -6.9131 -6.7957 -6.7957 -6.3060 -6.3060 -0.2672 -0.2672 0.7243 0.7243 0.9688 0.9688 2.8055 2.8055 2.9102 2.9102 5.4513 5.4513 7.7848 7.7848 7.8722 7.8722 8.7190 8.7190 k = 0.0132 0.0129 0.7506 ( 4262 PWs) bands (ev): -23.0970 -23.0970 -23.0739 -23.0739 -10.1807 -10.1807 -7.9601 -7.9601 -7.7259 -7.7259 -7.2526 -7.2526 -6.9175 -6.9175 -6.9118 -6.9118 -6.7964 -6.7964 -6.3054 -6.3054 -0.2672 -0.2672 0.7242 0.7242 0.9688 0.9688 2.8056 2.8056 2.9105 2.9105 5.4515 5.4515 7.7859 7.7859 7.8718 7.8718 8.7187 8.7187 k = 0.0263 0.0258 0.7506 ( 4258 PWs) bands (ev): -23.0970 -23.0970 -23.0739 -23.0739 -10.1807 -10.1807 -7.9592 -7.9592 -7.7268 -7.7268 -7.2513 -7.2513 -6.9204 -6.9204 -6.9102 -6.9102 -6.7983 -6.7983 -6.3035 -6.3035 -0.2671 -0.2671 0.7238 0.7238 0.9686 0.9686 2.8056 2.8056 2.9115 2.9115 5.4522 5.4522 7.7894 7.7894 7.8705 7.8705 8.7178 8.7178 k = 0.0395 0.0387 0.7506 ( 4260 PWs) bands (ev): -23.0969 -23.0969 -23.0739 -23.0739 -10.1807 -10.1807 -7.9578 -7.9578 -7.7282 -7.7282 -7.2492 -7.2492 -6.9240 -6.9240 -6.9088 -6.9088 -6.8013 -6.8013 -6.3005 -6.3005 -0.2670 -0.2670 0.7233 0.7233 0.9684 0.9684 2.8057 2.8057 2.9130 2.9130 5.4533 5.4533 7.7952 7.7952 7.8683 7.8683 8.7163 8.7163 k = 0.0526 0.0516 0.7506 ( 4262 PWs) bands (ev): -23.0968 -23.0968 -23.0740 -23.0740 -10.1807 -10.1807 -7.9558 -7.9558 -7.7301 -7.7301 -7.2462 -7.2462 -6.9281 -6.9281 -6.9079 -6.9079 -6.8051 -6.8051 -6.2965 -6.2965 -0.2669 -0.2669 0.7225 0.7225 0.9682 0.9682 2.8058 2.8058 2.9151 2.9151 5.4547 5.4547 7.8032 7.8032 7.8654 7.8654 8.7143 8.7143 k = 0.0658 0.0645 0.7506 ( 4266 PWs) bands (ev): -23.0968 -23.0968 -23.0741 -23.0741 -10.1807 -10.1807 -7.9533 -7.9533 -7.7325 -7.7325 -7.2423 -7.2423 -6.9329 -6.9329 -6.9074 -6.9074 -6.8096 -6.8096 -6.2916 -6.2916 -0.2667 -0.2667 0.7216 0.7216 0.9679 0.9679 2.8059 2.8059 2.9178 2.9178 5.4566 5.4566 7.8134 7.8134 7.8618 7.8618 8.7118 8.7118 k = 0.0789 0.0774 0.7506 ( 4262 PWs) bands (ev): -23.0966 -23.0966 -23.0742 -23.0742 -10.1806 -10.1806 -7.9503 -7.9503 -7.7354 -7.7354 -7.2377 -7.2377 -6.9384 -6.9384 -6.9074 -6.9074 -6.8143 -6.8143 -6.2861 -6.2861 -0.2664 -0.2664 0.7205 0.7205 0.9675 0.9675 2.8060 2.8060 2.9208 2.9208 5.4587 5.4587 7.8257 7.8257 7.8578 7.8578 8.7089 8.7089 k = 0.0921 0.0903 0.7506 ( 4264 PWs) bands (ev): -23.0965 -23.0965 -23.0743 -23.0743 -10.1806 -10.1806 -7.9468 -7.9468 -7.7387 -7.7387 -7.2323 -7.2323 -6.9448 -6.9448 -6.9078 -6.9078 -6.8189 -6.8189 -6.2801 -6.2801 -0.2662 -0.2662 0.7193 0.7193 0.9671 0.9671 2.8062 2.8062 2.9243 2.9243 5.4610 5.4610 7.8397 7.8397 7.8537 7.8537 8.7057 8.7057 k = 0.1053 0.1032 0.7506 ( 4266 PWs) bands (ev): -23.0964 -23.0964 -23.0744 -23.0744 -10.1806 -10.1806 -7.9430 -7.9430 -7.7424 -7.7424 -7.2262 -7.2262 -6.9522 -6.9522 -6.9086 -6.9086 -6.8232 -6.8232 -6.2738 -6.2738 -0.2659 -0.2659 0.7180 0.7180 0.9666 0.9666 2.8063 2.8063 2.9280 2.9280 5.4636 5.4636 7.8475 7.8475 7.8574 7.8574 8.7022 8.7022 k = 0.1184 0.1161 0.7506 ( 4262 PWs) bands (ev): -23.0963 -23.0963 -23.0746 -23.0746 -10.1805 -10.1805 -7.9389 -7.9389 -7.7463 -7.7463 -7.2194 -7.2194 -6.9607 -6.9607 -6.9097 -6.9097 -6.8269 -6.8269 -6.2675 -6.2675 -0.2656 -0.2656 0.7167 0.7167 0.9661 0.9661 2.8064 2.8064 2.9319 2.9319 5.4662 5.4662 7.8434 7.8434 7.8749 7.8749 8.6986 8.6986 k = 0.1316 0.1289 0.7506 ( 4260 PWs) bands (ev): -23.0961 -23.0961 -23.0747 -23.0747 -10.1805 -10.1805 -7.9345 -7.9345 -7.7505 -7.7505 -7.2120 -7.2120 -6.9701 -6.9701 -6.9110 -6.9110 -6.8300 -6.8300 -6.2612 -6.2612 -0.2653 -0.2653 0.7154 0.7154 0.9657 0.9657 2.8065 2.8065 2.9358 2.9358 5.4688 5.4688 7.8387 7.8387 7.8943 7.8943 8.6948 8.6948 k = 0.1447 0.1418 0.7506 ( 4266 PWs) bands (ev): -23.0960 -23.0960 -23.0748 -23.0748 -10.1805 -10.1805 -7.9300 -7.9300 -7.7547 -7.7547 -7.2041 -7.2041 -6.9803 -6.9803 -6.9124 -6.9124 -6.8325 -6.8325 -6.2552 -6.2552 -0.2650 -0.2650 0.7140 0.7140 0.9652 0.9652 2.8066 2.8066 2.9397 2.9397 5.4714 5.4714 7.8343 7.8343 7.9150 7.9150 8.6911 8.6911 k = 0.1579 0.1547 0.7506 ( 4264 PWs) bands (ev): -23.0959 -23.0959 -23.0750 -23.0750 -10.1805 -10.1805 -7.9255 -7.9255 -7.7590 -7.7590 -7.1957 -7.1957 -6.9912 -6.9912 -6.9138 -6.9138 -6.8344 -6.8344 -6.2495 -6.2495 -0.2648 -0.2648 0.7127 0.7127 0.9647 0.9647 2.8067 2.8067 2.9435 2.9435 5.4739 5.4739 7.8301 7.8301 7.9365 7.9365 8.6874 8.6874 k = 0.1711 0.1676 0.7506 ( 4260 PWs) bands (ev): -23.0958 -23.0958 -23.0751 -23.0751 -10.1804 -10.1804 -7.9211 -7.9211 -7.7632 -7.7632 -7.1870 -7.1870 -7.0025 -7.0025 -6.9151 -6.9151 -6.8358 -6.8358 -6.2444 -6.2444 -0.2645 -0.2645 0.7116 0.7116 0.9643 0.9643 2.8068 2.8068 2.9470 2.9470 5.4762 5.4762 7.8263 7.8263 7.9583 7.9583 8.6839 8.6839 k = 0.1842 0.1805 0.7506 ( 4266 PWs) bands (ev): -23.0957 -23.0957 -23.0752 -23.0752 -10.1804 -10.1804 -7.9170 -7.9170 -7.7671 -7.7671 -7.1782 -7.1782 -7.0138 -7.0138 -6.9163 -6.9163 -6.8367 -6.8367 -6.2399 -6.2399 -0.2643 -0.2643 0.7105 0.7105 0.9639 0.9639 2.8069 2.8069 2.9501 2.9501 5.4783 5.4783 7.8230 7.8230 7.9797 7.9797 8.6798 8.6798 k = 0.1974 0.1934 0.7506 ( 4264 PWs) bands (ev): -23.0956 -23.0956 -23.0753 -23.0753 -10.1804 -10.1804 -7.9132 -7.9132 -7.7707 -7.7707 -7.1696 -7.1696 -7.0247 -7.0247 -6.9173 -6.9173 -6.8374 -6.8374 -6.2361 -6.2361 -0.2641 -0.2641 0.7096 0.7096 0.9636 0.9636 2.8070 2.8070 2.9528 2.9528 5.4801 5.4801 7.8202 7.8202 7.9999 7.9999 8.6468 8.6468 k = 0.2105 0.2063 0.7506 ( 4264 PWs) bands (ev): -23.0955 -23.0955 -23.0754 -23.0754 -10.1804 -10.1804 -7.9101 -7.9101 -7.7737 -7.7737 -7.1615 -7.1615 -7.0346 -7.0346 -6.9181 -6.9181 -6.8379 -6.8379 -6.2331 -6.2331 -0.2639 -0.2639 0.7089 0.7089 0.9633 0.9633 2.8070 2.8070 2.9550 2.9550 5.4815 5.4815 7.8181 7.8181 8.0176 8.0176 8.6174 8.6174 k = 0.2237 0.2192 0.7506 ( 4262 PWs) bands (ev): -23.0954 -23.0954 -23.0754 -23.0754 -10.1804 -10.1804 -7.9077 -7.9077 -7.7760 -7.7760 -7.1547 -7.1547 -7.0429 -7.0429 -6.9187 -6.9187 -6.8382 -6.8382 -6.2309 -6.2309 -0.2638 -0.2638 0.7083 0.7083 0.9632 0.9632 2.8070 2.8070 2.9566 2.9566 5.4825 5.4825 7.8165 7.8165 8.0317 8.0317 8.5949 8.5949 k = 0.2368 0.2321 0.7506 ( 4260 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1804 -10.1804 -7.9062 -7.9062 -7.7774 -7.7774 -7.1500 -7.1500 -7.0485 -7.0485 -6.9190 -6.9190 -6.8383 -6.8383 -6.2295 -6.2295 -0.2637 -0.2637 0.7080 0.7080 0.9630 0.9630 2.8071 2.8071 2.9576 2.9576 5.4832 5.4832 7.8155 7.8155 8.0409 8.0409 8.5806 8.5806 k = 0.2500 0.2450 0.7506 ( 4260 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1804 -10.1804 -7.9057 -7.9057 -7.7779 -7.7779 -7.1483 -7.1483 -7.0505 -7.0505 -6.9191 -6.9191 -6.8384 -6.8384 -6.2291 -6.2291 -0.2637 -0.2637 0.7079 0.7079 0.9630 0.9630 2.8071 2.8071 2.9580 2.9580 5.4834 5.4834 7.8152 7.8152 8.0441 8.0441 8.5757 8.5757 k = 0.2500 0.2450 0.7506 ( 4260 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1804 -10.1804 -7.9057 -7.9057 -7.7779 -7.7779 -7.1483 -7.1483 -7.0505 -7.0505 -6.9191 -6.9191 -6.8384 -6.8384 -6.2291 -6.2291 -0.2637 -0.2637 0.7079 0.7079 0.9630 0.9630 2.8071 2.8071 2.9580 2.9580 5.4834 5.4834 7.8152 7.8152 8.0441 8.0441 8.5757 8.5757 k = 0.2391 0.2561 0.7393 ( 4258 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1804 -10.1804 -7.9057 -7.9057 -7.7778 -7.7778 -7.1481 -7.1481 -7.0508 -7.0508 -6.9189 -6.9189 -6.8384 -6.8384 -6.2291 -6.2291 -0.2644 -0.2644 0.7075 0.7075 0.9632 0.9632 2.8076 2.8076 2.9583 2.9583 5.4867 5.4867 7.8138 7.8138 8.0295 8.0295 8.5781 8.5781 k = 0.2283 0.2672 0.7279 ( 4258 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1804 -10.1804 -7.9059 -7.9059 -7.7773 -7.7773 -7.1476 -7.1476 -7.0517 -7.0517 -6.9183 -6.9183 -6.8386 -6.8386 -6.2293 -6.2293 -0.2666 -0.2666 0.7063 0.7063 0.9637 0.9637 2.8094 2.8094 2.9594 2.9594 5.4966 5.4966 7.8098 7.8098 7.9897 7.9897 8.5851 8.5851 k = 0.2174 0.2783 0.7166 ( 4270 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1804 -10.1804 -7.9062 -7.9062 -7.7766 -7.7766 -7.1468 -7.1468 -7.0532 -7.0532 -6.9174 -6.9174 -6.8388 -6.8388 -6.2296 -6.2296 -0.2702 -0.2702 0.7043 0.7043 0.9646 0.9646 2.8123 2.8123 2.9613 2.9613 5.5131 5.5131 7.8032 7.8032 7.9324 7.9324 8.5967 8.5967 k = 0.2065 0.2894 0.7053 ( 4270 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1804 -10.1804 -7.9066 -7.9066 -7.7756 -7.7756 -7.1458 -7.1458 -7.0551 -7.0551 -6.9163 -6.9163 -6.8390 -6.8390 -6.2301 -6.2301 -0.2751 -0.2751 0.7016 0.7016 0.9658 0.9658 2.8163 2.8163 2.9638 2.9638 5.5359 5.5359 7.7943 7.7943 7.8648 7.8648 8.6124 8.6124 k = 0.1957 0.3005 0.6940 ( 4264 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1805 -10.1805 -7.9071 -7.9071 -7.7743 -7.7743 -7.1445 -7.1445 -7.0574 -7.0574 -6.9150 -6.9150 -6.8391 -6.8391 -6.2306 -6.2306 -0.2812 -0.2812 0.6983 0.6983 0.9673 0.9673 2.8212 2.8212 2.9670 2.9670 5.5648 5.5648 7.7833 7.7833 7.7922 7.7922 8.6319 8.6319 k = 0.1848 0.3115 0.6827 ( 4256 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1805 -10.1805 -7.9077 -7.9077 -7.7728 -7.7728 -7.1430 -7.1430 -7.0600 -7.0600 -6.9138 -6.9138 -6.8391 -6.8391 -6.2313 -6.2313 -0.2884 -0.2884 0.6945 0.6945 0.9689 0.9689 2.8272 2.8272 2.9707 2.9707 5.5996 5.5996 7.7163 7.7163 7.7716 7.7716 8.6548 8.6548 k = 0.1739 0.3226 0.6714 ( 4254 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1806 -10.1806 -7.9084 -7.9084 -7.7710 -7.7710 -7.1415 -7.1415 -7.0627 -7.0627 -6.9127 -6.9127 -6.8389 -6.8389 -6.2320 -6.2320 -0.2966 -0.2966 0.6902 0.6902 0.9707 0.9707 2.8339 2.8339 2.9751 2.9751 5.6398 5.6398 7.6406 7.6406 7.7583 7.7583 8.6807 8.6807 k = 0.1630 0.3337 0.6601 ( 4258 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1806 -10.1806 -7.9091 -7.9091 -7.7691 -7.7691 -7.1400 -7.1400 -7.0654 -7.0654 -6.9120 -6.9120 -6.8383 -6.8383 -6.2329 -6.2329 -0.3055 -0.3055 0.6856 0.6856 0.9727 0.9727 2.8413 2.8413 2.9798 2.9798 5.6850 5.6850 7.5658 7.5658 7.7443 7.7443 8.7092 8.7092 k = 0.1522 0.3448 0.6488 ( 4264 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1807 -10.1807 -7.9099 -7.9099 -7.7670 -7.7670 -7.1387 -7.1387 -7.0678 -7.0678 -6.9117 -6.9117 -6.8374 -6.8374 -6.2338 -6.2338 -0.3151 -0.3151 0.6807 0.6807 0.9746 0.9746 2.8493 2.8493 2.9850 2.9850 5.7346 5.7346 7.4930 7.4930 7.7299 7.7299 8.7398 8.7398 k = 0.1413 0.3559 0.6375 ( 4258 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1808 -10.1808 -7.9107 -7.9107 -7.7648 -7.7648 -7.1377 -7.1377 -7.0699 -7.0699 -6.9119 -6.9119 -6.8360 -6.8360 -6.2348 -6.2348 -0.3250 -0.3250 0.6757 0.6757 0.9766 0.9766 2.8577 2.8577 2.9904 2.9904 5.7882 5.7882 7.4228 7.4228 7.7153 7.7153 8.7721 8.7721 k = 0.1304 0.3670 0.6261 ( 4254 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1808 -10.1808 -7.9115 -7.9115 -7.7625 -7.7625 -7.1372 -7.1372 -7.0713 -7.0713 -6.9127 -6.9127 -6.8341 -6.8341 -6.2359 -6.2359 -0.3352 -0.3352 0.6706 0.6706 0.9786 0.9786 2.8663 2.8663 2.9960 2.9960 5.8449 5.8449 7.3559 7.3559 7.7010 7.7010 8.8058 8.8058 k = 0.1196 0.3781 0.6148 ( 4250 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1809 -10.1809 -7.9123 -7.9123 -7.7601 -7.7601 -7.1372 -7.1372 -7.0721 -7.0721 -6.9141 -6.9141 -6.8318 -6.8318 -6.2370 -6.2370 -0.3454 -0.3454 0.6656 0.6656 0.9805 0.9805 2.8751 2.8751 3.0018 3.0018 5.9041 5.9041 7.2928 7.2928 7.6871 7.6871 8.8405 8.8405 k = 0.1087 0.3892 0.6035 ( 4252 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1810 -10.1810 -7.9131 -7.9131 -7.7578 -7.7578 -7.1378 -7.1378 -7.0720 -7.0720 -6.9160 -6.9160 -6.8292 -6.8292 -6.2382 -6.2382 -0.3555 -0.3555 0.6607 0.6607 0.9822 0.9822 2.8838 2.8838 3.0075 3.0075 5.9648 5.9648 7.2338 7.2338 7.6737 7.6737 8.8756 8.8756 k = 0.0978 0.4003 0.5922 ( 4250 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1810 -10.1810 -7.9139 -7.9139 -7.7555 -7.7555 -7.1390 -7.1390 -7.0712 -7.0712 -6.9184 -6.9184 -6.8264 -6.8264 -6.2394 -6.2394 -0.3652 -0.3652 0.6561 0.6561 0.9839 0.9839 2.8923 2.8923 3.0131 3.0131 6.0259 6.0259 7.1793 7.1793 7.6612 7.6612 8.9110 8.9110 k = 0.0870 0.4114 0.5809 ( 4236 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1811 -10.1811 -7.9146 -7.9146 -7.7532 -7.7532 -7.1405 -7.1405 -7.0698 -7.0698 -6.9210 -6.9210 -6.8234 -6.8234 -6.2405 -6.2405 -0.3744 -0.3744 0.6517 0.6517 0.9854 0.9854 2.9004 2.9004 3.0185 3.0185 6.0865 6.0865 7.1297 7.1297 7.6497 7.6497 8.9461 8.9461 k = 0.0761 0.4225 0.5696 ( 4232 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1811 -10.1811 -7.9153 -7.9153 -7.7511 -7.7511 -7.1424 -7.1424 -7.0680 -7.0680 -6.9238 -6.9238 -6.8205 -6.8205 -6.2416 -6.2416 -0.3829 -0.3829 0.6477 0.6477 0.9868 0.9868 2.9079 2.9079 3.0235 3.0235 6.1451 6.1451 7.0852 7.0852 7.6392 7.6392 8.9806 8.9806 k = 0.0652 0.4336 0.5583 ( 4238 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1812 -10.1812 -7.9159 -7.9159 -7.7492 -7.7492 -7.1443 -7.1443 -7.0658 -7.0658 -6.9267 -6.9267 -6.8177 -6.8177 -6.2426 -6.2426 -0.3906 -0.3906 0.6441 0.6441 0.9880 0.9880 2.9148 2.9148 3.0281 3.0281 6.2005 6.2005 7.0461 7.0461 7.6298 7.6298 9.0140 9.0140 k = 0.0543 0.4446 0.5470 ( 4236 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1812 -10.1812 -7.9164 -7.9164 -7.7475 -7.7475 -7.1463 -7.1463 -7.0635 -7.0635 -6.9295 -6.9295 -6.8152 -6.8152 -6.2435 -6.2435 -0.3973 -0.3973 0.6410 0.6410 0.9891 0.9891 2.9208 2.9208 3.0322 3.0322 6.2511 6.2511 7.0126 7.0126 7.6218 7.6218 9.0463 9.0463 k = 0.0435 0.4557 0.5357 ( 4244 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1813 -10.1813 -7.9169 -7.9169 -7.7460 -7.7460 -7.1480 -7.1480 -7.0613 -7.0613 -6.9321 -6.9321 -6.8130 -6.8130 -6.2442 -6.2442 -0.4030 -0.4030 0.6384 0.6384 0.9899 0.9899 2.9259 2.9259 3.0357 3.0357 6.2953 6.2953 6.9850 6.9850 7.6152 7.6152 9.0772 9.0772 k = 0.0326 0.4668 0.5244 ( 4246 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1813 -10.1813 -7.9172 -7.9172 -7.7448 -7.7448 -7.1495 -7.1495 -7.0594 -7.0594 -6.9342 -6.9342 -6.8112 -6.8112 -6.2449 -6.2449 -0.4075 -0.4075 0.6363 0.6363 0.9906 0.9906 2.9300 2.9300 3.0385 3.0385 6.3317 6.3317 6.9633 6.9633 7.6099 7.6099 9.1071 9.1071 k = 0.0217 0.4779 0.5130 ( 4246 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1813 -10.1813 -7.9175 -7.9175 -7.7440 -7.7440 -7.1506 -7.1506 -7.0580 -7.0580 -6.9359 -6.9359 -6.8099 -6.8099 -6.2453 -6.2453 -0.4108 -0.4108 0.6348 0.6348 0.9911 0.9911 2.9329 2.9329 3.0406 3.0406 6.3589 6.3589 6.9477 6.9477 7.6061 7.6061 9.1367 9.1367 k = 0.0109 0.4890 0.5017 ( 4240 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1813 -10.1813 -7.9176 -7.9176 -7.7435 -7.7435 -7.1513 -7.1513 -7.0570 -7.0570 -6.9369 -6.9369 -6.8091 -6.8091 -6.2456 -6.2456 -0.4128 -0.4128 0.6339 0.6339 0.9914 0.9914 2.9347 2.9347 3.0418 3.0418 6.3756 6.3756 6.9383 6.9383 7.6038 7.6038 9.1672 9.1672 k = 0.0000 0.5001 0.4904 ( 4236 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1813 -10.1813 -7.9177 -7.9177 -7.7433 -7.7433 -7.1515 -7.1515 -7.0567 -7.0567 -6.9373 -6.9373 -6.8088 -6.8088 -6.2457 -6.2457 -0.4134 -0.4134 0.6336 0.6336 0.9914 0.9914 2.9353 2.9353 3.0422 3.0422 6.3813 6.3813 6.9352 6.9352 7.6031 7.6031 9.1966 9.1966 k = 0.0000 0.5001 0.4904 ( 4236 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1813 -10.1813 -7.9177 -7.9177 -7.7433 -7.7433 -7.1515 -7.1515 -7.0567 -7.0567 -6.9373 -6.9373 -6.8088 -6.8088 -6.2457 -6.2457 -0.4134 -0.4134 0.6336 0.6336 0.9914 0.9914 2.9353 2.9353 3.0422 3.0422 6.3813 6.3813 6.9352 6.9352 7.6031 7.6031 9.1966 9.1966 k = 0.0159 0.5077 0.4827 ( 4240 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1814 -10.1814 -7.9176 -7.9176 -7.7437 -7.7437 -7.1512 -7.1512 -7.0571 -7.0571 -6.9370 -6.9370 -6.8088 -6.8088 -6.2452 -6.2452 -0.4137 -0.4137 0.6342 0.6342 0.9908 0.9908 2.9357 2.9357 3.0423 3.0423 6.3813 6.3813 6.9325 6.9325 7.6044 7.6044 9.1937 9.1937 k = 0.0317 0.5153 0.4749 ( 4242 PWs) bands (ev): -23.0953 -23.0953 -23.0756 -23.0756 -10.1817 -10.1817 -7.9173 -7.9173 -7.7448 -7.7448 -7.1504 -7.1504 -7.0583 -7.0583 -6.9361 -6.9361 -6.8088 -6.8088 -6.2436 -6.2436 -0.4145 -0.4145 0.6361 0.6361 0.9888 0.9888 2.9367 2.9367 3.0423 3.0423 6.3811 6.3811 6.9244 6.9244 7.6082 7.6082 9.1849 9.1849 k = 0.0476 0.5230 0.4671 ( 4246 PWs) bands (ev): -23.0953 -23.0953 -23.0756 -23.0756 -10.1822 -10.1822 -7.9168 -7.9168 -7.7467 -7.7467 -7.1490 -7.1490 -7.0603 -7.0603 -6.9347 -6.9347 -6.8089 -6.8089 -6.2409 -6.2409 -0.4158 -0.4158 0.6393 0.6393 0.9856 0.9856 2.9385 2.9385 3.0424 3.0424 6.3807 6.3807 6.9115 6.9115 7.6142 7.6142 9.1700 9.1700 k = 0.0635 0.5306 0.4593 ( 4250 PWs) bands (ev): -23.0952 -23.0952 -23.0757 -23.0757 -10.1829 -10.1829 -7.9161 -7.9161 -7.7492 -7.7492 -7.1472 -7.1472 -7.0628 -7.0628 -6.9329 -6.9329 -6.8090 -6.8090 -6.2373 -6.2373 -0.4175 -0.4175 0.6436 0.6436 0.9810 0.9810 2.9409 2.9409 3.0425 3.0425 6.3803 6.3803 6.8944 6.8944 7.6220 7.6220 9.1489 9.1489 k = 0.0793 0.5382 0.4516 ( 4254 PWs) bands (ev): -23.0951 -23.0951 -23.0758 -23.0758 -10.1837 -10.1837 -7.9153 -7.9153 -7.7524 -7.7524 -7.1452 -7.1452 -7.0656 -7.0656 -6.9307 -6.9307 -6.8091 -6.8091 -6.2327 -6.2327 -0.4197 -0.4197 0.6491 0.6491 0.9753 0.9753 2.9439 2.9439 3.0427 3.0427 6.3796 6.3796 6.8737 6.8737 7.6312 7.6312 9.1219 9.1219 k = 0.0952 0.5458 0.4438 ( 4255 PWs) bands (ev): -23.0949 -23.0949 -23.0760 -23.0760 -10.1847 -10.1847 -7.9143 -7.9143 -7.7561 -7.7561 -7.1430 -7.1430 -7.0686 -7.0686 -6.9284 -6.9284 -6.8091 -6.8091 -6.2273 -6.2273 -0.4222 -0.4222 0.6556 0.6556 0.9683 0.9683 2.9476 2.9476 3.0430 3.0430 6.3789 6.3789 6.8504 6.8504 7.6412 7.6412 9.0898 9.0898 k = 0.1111 0.5535 0.4360 ( 4252 PWs) bands (ev): -23.0948 -23.0948 -23.0762 -23.0762 -10.1858 -10.1858 -7.9132 -7.9132 -7.7603 -7.7603 -7.1410 -7.1410 -7.0713 -7.0713 -6.9259 -6.9259 -6.8091 -6.8091 -6.2210 -6.2210 -0.4250 -0.4250 0.6630 0.6630 0.9602 0.9602 2.9518 2.9518 3.0433 3.0433 6.3779 6.3779 6.8252 6.8252 7.6518 7.6518 9.0535 9.0535 k = 0.1269 0.5611 0.4282 ( 4260 PWs) bands (ev): -23.0946 -23.0946 -23.0764 -23.0764 -10.1871 -10.1871 -7.9120 -7.9120 -7.7649 -7.7649 -7.1394 -7.1394 -7.0736 -7.0736 -6.9233 -6.9233 -6.8091 -6.8091 -6.2141 -6.2141 -0.4280 -0.4280 0.6713 0.6713 0.9510 0.9510 2.9566 2.9566 3.0438 3.0438 6.3768 6.3768 6.7989 6.7989 7.6626 7.6626 9.0144 9.0144 k = 0.1428 0.5687 0.4205 ( 4262 PWs) bands (ev): -23.0944 -23.0944 -23.0766 -23.0766 -10.1884 -10.1884 -7.9108 -7.9108 -7.7697 -7.7697 -7.1385 -7.1385 -7.0751 -7.0751 -6.9208 -6.9208 -6.8090 -6.8090 -6.2065 -6.2065 -0.4311 -0.4311 0.6803 0.6803 0.9409 0.9409 2.9618 2.9618 3.0444 3.0444 6.3755 6.3755 6.7722 6.7722 7.6733 7.6733 8.9734 8.9734 k = 0.1587 0.5763 0.4127 ( 4270 PWs) bands (ev): -23.0942 -23.0942 -23.0769 -23.0769 -10.1898 -10.1898 -7.9095 -7.9095 -7.7747 -7.7747 -7.1386 -7.1386 -7.0756 -7.0756 -6.9183 -6.9183 -6.8089 -6.8089 -6.1984 -6.1984 -0.4343 -0.4343 0.6898 0.6898 0.9298 0.9298 2.9675 2.9675 3.0451 3.0451 6.3741 6.3741 6.7455 6.7455 7.6838 7.6838 8.9314 8.9314 k = 0.1745 0.5840 0.4049 ( 4277 PWs) bands (ev): -23.0939 -23.0939 -23.0771 -23.0771 -10.1913 -10.1913 -7.9083 -7.9083 -7.7797 -7.7797 -7.1398 -7.1398 -7.0749 -7.0749 -6.9158 -6.9158 -6.8087 -6.8087 -6.1899 -6.1899 -0.4374 -0.4374 0.6998 0.6998 0.9179 0.9179 2.9735 2.9735 3.0461 3.0461 6.3724 6.3724 6.7195 6.7195 7.6937 7.6937 8.8893 8.8893 k = 0.1904 0.5916 0.3971 ( 4282 PWs) bands (ev): -23.0936 -23.0936 -23.0774 -23.0774 -10.1928 -10.1928 -7.9072 -7.9072 -7.7846 -7.7846 -7.1422 -7.1422 -7.0731 -7.0731 -6.9133 -6.9133 -6.8085 -6.8085 -6.1811 -6.1811 -0.4404 -0.4404 0.7100 0.7100 0.9054 0.9054 2.9797 2.9797 3.0473 3.0473 6.3706 6.3706 6.6946 6.6946 7.7031 7.7031 8.8476 8.8476 k = 0.2063 0.5992 0.3894 ( 4280 PWs) bands (ev): -23.0934 -23.0934 -23.0778 -23.0778 -10.1943 -10.1943 -7.9063 -7.9063 -7.7893 -7.7893 -7.1454 -7.1454 -7.0704 -7.0704 -6.9109 -6.9109 -6.8083 -6.8083 -6.1722 -6.1722 -0.4432 -0.4432 0.7203 0.7203 0.8925 0.8925 2.9861 2.9861 3.0488 3.0488 6.3686 6.3686 6.6712 6.6712 7.7118 7.7118 8.8068 8.8068 k = 0.2221 0.6068 0.3816 ( 4282 PWs) bands (ev): -23.0931 -23.0931 -23.0781 -23.0781 -10.1958 -10.1958 -7.9057 -7.9057 -7.7936 -7.7936 -7.1494 -7.1494 -7.0671 -7.0671 -6.9083 -6.9083 -6.8082 -6.8082 -6.1632 -6.1632 -0.4458 -0.4458 0.7303 0.7303 0.8793 0.8793 2.9924 2.9924 3.0508 3.0508 6.3664 6.3664 6.6496 6.6496 7.7196 7.7196 8.7672 8.7672 k = 0.2380 0.6144 0.3738 ( 4276 PWs) bands (ev): -23.0927 -23.0927 -23.0785 -23.0785 -10.1972 -10.1972 -7.9054 -7.9054 -7.7974 -7.7974 -7.1539 -7.1539 -7.0634 -7.0634 -6.9057 -6.9057 -6.8081 -6.8081 -6.1542 -6.1542 -0.4480 -0.4480 0.7398 0.7398 0.8663 0.8663 2.9986 2.9986 3.0533 3.0533 6.3640 6.3640 6.6300 6.6300 7.7264 7.7264 8.7292 8.7292 k = 0.2539 0.6221 0.3660 ( 4282 PWs) bands (ev): -23.0924 -23.0924 -23.0788 -23.0788 -10.1986 -10.1986 -7.9055 -7.9055 -7.8006 -7.8006 -7.1588 -7.1588 -7.0594 -7.0594 -6.9030 -6.9030 -6.8082 -6.8082 -6.1453 -6.1453 -0.4500 -0.4500 0.7480 0.7480 0.8541 0.8541 3.0045 3.0045 3.0565 3.0565 6.3615 6.3615 6.6128 6.6128 7.7320 7.7320 8.6930 8.6930 k = 0.2697 0.6297 0.3583 ( 4278 PWs) bands (ev): -23.0921 -23.0921 -23.0792 -23.0792 -10.1998 -10.1998 -7.9061 -7.9061 -7.8030 -7.8030 -7.1639 -7.1639 -7.0554 -7.0554 -6.9001 -6.9001 -6.8083 -6.8083 -6.1367 -6.1367 -0.4516 -0.4516 0.7541 0.7541 0.8436 0.8436 3.0099 3.0099 3.0603 3.0603 6.3588 6.3588 6.5982 6.5982 7.7362 7.7362 8.6587 8.6587 k = 0.2856 0.6373 0.3505 ( 4278 PWs) bands (ev): -23.0918 -23.0918 -23.0796 -23.0796 -10.2009 -10.2009 -7.9073 -7.9073 -7.8046 -7.8046 -7.1691 -7.1691 -7.0515 -7.0515 -6.8971 -6.8971 -6.8087 -6.8087 -6.1284 -6.1284 -0.4528 -0.4528 0.7567 0.7567 0.8363 0.8363 3.0148 3.0148 3.0648 3.0648 6.3561 6.3561 6.5862 6.5862 7.7388 7.7388 8.6264 8.6264 k = 0.3015 0.6449 0.3427 ( 4276 PWs) bands (ev): -23.0914 -23.0914 -23.0800 -23.0800 -10.2018 -10.2018 -7.9089 -7.9089 -7.8055 -7.8055 -7.1744 -7.1744 -7.0477 -7.0477 -6.8939 -6.8939 -6.8092 -6.8092 -6.1206 -6.1206 -0.4537 -0.4537 0.7546 0.7546 0.8334 0.8334 3.0192 3.0192 3.0701 3.0701 6.3533 6.3533 6.5771 6.5771 7.7397 7.7397 8.5963 8.5963 k = 0.3173 0.6526 0.3350 ( 4276 PWs) bands (ev): -23.0911 -23.0911 -23.0804 -23.0804 -10.2025 -10.2025 -7.9110 -7.9110 -7.8054 -7.8054 -7.1797 -7.1797 -7.0442 -7.0442 -6.8905 -6.8905 -6.8100 -6.8100 -6.1133 -6.1133 -0.4541 -0.4541 0.7478 0.7478 0.8350 0.8350 3.0231 3.0231 3.0759 3.0759 6.3505 6.3505 6.5709 6.5709 7.7384 7.7384 8.5685 8.5685 k = 0.3332 0.6602 0.3272 ( 4272 PWs) bands (ev): -23.0909 -23.0909 -23.0807 -23.0807 -10.2030 -10.2030 -7.9134 -7.9134 -7.8047 -7.8047 -7.1849 -7.1849 -7.0408 -7.0408 -6.8871 -6.8871 -6.8109 -6.8109 -6.1066 -6.1066 -0.4543 -0.4543 0.7376 0.7376 0.8398 0.8398 3.0266 3.0266 3.0822 3.0822 6.3478 6.3478 6.5678 6.5678 7.7348 7.7348 8.5429 8.5429 k = 0.3332 0.6602 0.3272 ( 4272 PWs) bands (ev): -23.0909 -23.0909 -23.0807 -23.0807 -10.2030 -10.2030 -7.9134 -7.9134 -7.8047 -7.8047 -7.1849 -7.1849 -7.0408 -7.0408 -6.8871 -6.8871 -6.8109 -6.8109 -6.1066 -6.1066 -0.4543 -0.4543 0.7376 0.7376 0.8398 0.8398 3.0266 3.0266 3.0822 3.0822 6.3478 6.3478 6.5678 6.5678 7.7348 7.7348 8.5429 8.5429 k = 0.3412 0.6521 0.3116 ( 4268 PWs) bands (ev): -23.0904 -23.0904 -23.0813 -23.0813 -10.2038 -10.2038 -7.9191 -7.9191 -7.8019 -7.8019 -7.1953 -7.1953 -7.0341 -7.0341 -6.8801 -6.8801 -6.8131 -6.8131 -6.0940 -6.0940 -0.4544 -0.4544 0.7147 0.7147 0.8516 0.8516 3.0329 3.0329 3.0958 3.0958 6.3422 6.3422 6.5656 6.5656 7.7271 7.7271 8.4932 8.4932 k = 0.3491 0.6440 0.2960 ( 4276 PWs) bands (ev): -23.0900 -23.0900 -23.0819 -23.0819 -10.2043 -10.2043 -7.9255 -7.9255 -7.7981 -7.7981 -7.2056 -7.2056 -7.0272 -7.0272 -6.8734 -6.8734 -6.8155 -6.8155 -6.0818 -6.0818 -0.4547 -0.4547 0.6915 0.6915 0.8637 0.8637 3.0389 3.0389 3.1107 3.1107 6.3366 6.3366 6.5653 6.5653 7.7237 7.7237 8.4423 8.4423 k = 0.3570 0.6359 0.2804 ( 4276 PWs) bands (ev): -23.0896 -23.0896 -23.0825 -23.0825 -10.2047 -10.2047 -7.9323 -7.9323 -7.7936 -7.7936 -7.2157 -7.2157 -7.0201 -7.0201 -6.8668 -6.8668 -6.8180 -6.8180 -6.0700 -6.0700 -0.4552 -0.4552 0.6680 0.6680 0.8760 0.8760 3.0446 3.0446 3.1265 3.1265 6.3310 6.3310 6.5669 6.5669 7.7244 7.7244 8.3909 8.3909 k = 0.3650 0.6278 0.2649 ( 4272 PWs) bands (ev): -23.0892 -23.0892 -23.0831 -23.0831 -10.2050 -10.2050 -7.9395 -7.9395 -7.7885 -7.7885 -7.2256 -7.2256 -7.0129 -7.0129 -6.8604 -6.8604 -6.8207 -6.8207 -6.0587 -6.0587 -0.4559 -0.4559 0.6445 0.6445 0.8884 0.8884 3.0502 3.0502 3.1429 3.1429 6.3255 6.3255 6.5702 6.5702 7.7291 7.7291 8.3394 8.3394 k = 0.3729 0.6197 0.2493 ( 4268 PWs) bands (ev): -23.0888 -23.0888 -23.0837 -23.0837 -10.2051 -10.2051 -7.9467 -7.9467 -7.7830 -7.7830 -7.2352 -7.2352 -7.0056 -7.0056 -6.8544 -6.8544 -6.8234 -6.8234 -6.0478 -6.0478 -0.4567 -0.4567 0.6212 0.6212 0.9008 0.9008 3.0558 3.0558 3.1597 3.1597 6.3200 6.3200 6.5752 6.5752 7.7374 7.7374 8.2882 8.2882 k = 0.3809 0.6116 0.2337 ( 4264 PWs) bands (ev): -23.0885 -23.0885 -23.0842 -23.0842 -10.2051 -10.2051 -7.9539 -7.9539 -7.7772 -7.7772 -7.2446 -7.2446 -6.9983 -6.9983 -6.8489 -6.8489 -6.8261 -6.8261 -6.0374 -6.0374 -0.4577 -0.4577 0.5982 0.5982 0.9131 0.9131 3.0613 3.0613 3.1766 3.1766 6.3146 6.3146 6.5816 6.5816 7.7490 7.7490 8.2380 8.2380 k = 0.3888 0.6035 0.2181 ( 4268 PWs) bands (ev): -23.0881 -23.0881 -23.0847 -23.0847 -10.2050 -10.2050 -7.9610 -7.9610 -7.7712 -7.7712 -7.2537 -7.2537 -6.9910 -6.9910 -6.8445 -6.8445 -6.8281 -6.8281 -6.0275 -6.0275 -0.4588 -0.4588 0.5757 0.5757 0.9252 0.9252 3.0667 3.0667 3.1935 3.1935 6.3094 6.3094 6.5892 6.5892 7.7638 7.7638 8.1890 8.1890 k = 0.3968 0.5954 0.2025 ( 4262 PWs) bands (ev): -23.0879 -23.0879 -23.0852 -23.0852 -10.2049 -10.2049 -7.9679 -7.9679 -7.7650 -7.7650 -7.2624 -7.2624 -6.9837 -6.9837 -6.8423 -6.8423 -6.8283 -6.8283 -6.0182 -6.0182 -0.4600 -0.4600 0.5539 0.5539 0.9370 0.9370 3.0721 3.0721 3.2101 3.2101 6.3043 6.3043 6.5979 6.5979 7.7813 7.7813 8.1417 8.1417 k = 0.4047 0.5872 0.1870 ( 4258 PWs) bands (ev): -23.0876 -23.0876 -23.0856 -23.0856 -10.2047 -10.2047 -7.9745 -7.9745 -7.7588 -7.7588 -7.2708 -7.2708 -6.9765 -6.9765 -6.8431 -6.8431 -6.8260 -6.8260 -6.0095 -6.0095 -0.4612 -0.4612 0.5329 0.5329 0.9484 0.9484 3.0773 3.0773 3.2264 3.2264 6.2995 6.2995 6.6074 6.6074 7.8011 7.8011 8.0965 8.0965 k = 0.4126 0.5791 0.1714 ( 4254 PWs) bands (ev): -23.0873 -23.0873 -23.0861 -23.0861 -10.2044 -10.2044 -7.9808 -7.9808 -7.7527 -7.7527 -7.2787 -7.2787 -6.9693 -6.9693 -6.8459 -6.8459 -6.8222 -6.8222 -6.0014 -6.0014 -0.4624 -0.4624 0.5129 0.5129 0.9593 0.9593 3.0824 3.0824 3.2422 3.2422 6.2948 6.2948 6.6174 6.6174 7.8228 7.8228 8.0537 8.0537 k = 0.4206 0.5710 0.1558 ( 4248 PWs) bands (ev): -23.0871 -23.0871 -23.0865 -23.0865 -10.2041 -10.2041 -7.9867 -7.9867 -7.7468 -7.7468 -7.2862 -7.2862 -6.9622 -6.9622 -6.8495 -6.8495 -6.8181 -6.8181 -5.9939 -5.9939 -0.4636 -0.4636 0.4941 0.4941 0.9696 0.9696 3.0873 3.0873 3.2572 3.2572 6.2905 6.2905 6.6277 6.6277 7.8459 7.8459 8.0136 8.0136 k = 0.4285 0.5629 0.1402 ( 4238 PWs) bands (ev): -23.0869 -23.0869 -23.0868 -23.0868 -10.2038 -10.2038 -7.9922 -7.9922 -7.7410 -7.7410 -7.2932 -7.2932 -6.9553 -6.9553 -6.8535 -6.8535 -6.8140 -6.8140 -5.9871 -5.9871 -0.4648 -0.4648 0.4766 0.4766 0.9792 0.9792 3.0918 3.0918 3.2713 3.2713 6.2865 6.2865 6.6379 6.6379 7.8697 7.8697 7.9765 7.9765 k = 0.4365 0.5548 0.1246 ( 4238 PWs) bands (ev): -23.0872 -23.0872 -23.0867 -23.0867 -10.2035 -10.2035 -7.9972 -7.9972 -7.7356 -7.7356 -7.2997 -7.2997 -6.9484 -6.9484 -6.8578 -6.8578 -6.8103 -6.8103 -5.9809 -5.9809 -0.4660 -0.4660 0.4605 0.4605 0.9881 0.9881 3.0961 3.0961 3.2844 3.2844 6.2828 6.2828 6.6480 6.6480 7.8937 7.8937 7.9428 7.9428 k = 0.4444 0.5467 0.1091 ( 4250 PWs) bands (ev): -23.0875 -23.0875 -23.0866 -23.0866 -10.2032 -10.2032 -8.0016 -8.0016 -7.7305 -7.7305 -7.3056 -7.3056 -6.9417 -6.9417 -6.8623 -6.8623 -6.8068 -6.8068 -5.9755 -5.9755 -0.4671 -0.4671 0.4461 0.4461 0.9962 0.9962 3.1000 3.1000 3.2964 3.2964 6.2794 6.2794 6.6575 6.6575 7.9108 7.9108 7.9191 7.9191 k = 0.4523 0.5386 0.0935 ( 4246 PWs) bands (ev): -23.0877 -23.0877 -23.0864 -23.0864 -10.2029 -10.2029 -8.0056 -8.0056 -7.7259 -7.7259 -7.3108 -7.3108 -6.9352 -6.9352 -6.8670 -6.8670 -6.8038 -6.8038 -5.9707 -5.9707 -0.4680 -0.4680 0.4333 0.4333 1.0034 1.0034 3.1034 3.1034 3.3071 3.3071 6.2765 6.2765 6.6662 6.6662 7.8855 7.8855 7.9404 7.9404 k = 0.4603 0.5305 0.0779 ( 4252 PWs) bands (ev): -23.0879 -23.0879 -23.0863 -23.0863 -10.2026 -10.2026 -8.0089 -8.0089 -7.7219 -7.7219 -7.3154 -7.3154 -6.9287 -6.9287 -6.8719 -6.8719 -6.8011 -6.8011 -5.9666 -5.9666 -0.4689 -0.4689 0.4223 0.4223 1.0095 1.0095 3.1065 3.1065 3.3163 3.3163 6.2739 6.2739 6.6740 6.6740 7.8628 7.8628 7.9610 7.9610 k = 0.4682 0.5224 0.0623 ( 4248 PWs) bands (ev): -23.0881 -23.0881 -23.0862 -23.0862 -10.2024 -10.2024 -8.0117 -8.0117 -7.7185 -7.7185 -7.3192 -7.3192 -6.9224 -6.9224 -6.8769 -6.8769 -6.7990 -6.7990 -5.9633 -5.9633 -0.4696 -0.4696 0.4132 0.4132 1.0147 1.0147 3.1090 3.1090 3.3240 3.3240 6.2718 6.2718 6.6807 6.6807 7.8441 7.8441 7.9792 7.9792 k = 0.4762 0.5143 0.0467 ( 4252 PWs) bands (ev): -23.0883 -23.0883 -23.0862 -23.0862 -10.2022 -10.2022 -8.0139 -8.0139 -7.7157 -7.7157 -7.3222 -7.3222 -6.9163 -6.9163 -6.8821 -6.8821 -6.7972 -6.7972 -5.9607 -5.9607 -0.4702 -0.4702 0.4060 0.4060 1.0187 1.0187 3.1110 3.1110 3.3301 3.3301 6.2702 6.2702 6.6860 6.6860 7.8294 7.8294 7.9941 7.9941 k = 0.4841 0.5062 0.0312 ( 4248 PWs) bands (ev): -23.0884 -23.0884 -23.0861 -23.0861 -10.2021 -10.2021 -8.0154 -8.0154 -7.7138 -7.7138 -7.3244 -7.3244 -6.9103 -6.9103 -6.8874 -6.8874 -6.7960 -6.7960 -5.9588 -5.9588 -0.4706 -0.4706 0.4008 0.4008 1.0216 1.0216 3.1124 3.1124 3.3345 3.3345 6.2690 6.2690 6.6899 6.6899 7.8188 7.8188 8.0052 8.0052 k = 0.4921 0.4981 0.0156 ( 4260 PWs) bands (ev): -23.0884 -23.0884 -23.0861 -23.0861 -10.2020 -10.2020 -8.0164 -8.0164 -7.7125 -7.7125 -7.3257 -7.3257 -6.9046 -6.9046 -6.8927 -6.8927 -6.7952 -6.7952 -5.9577 -5.9577 -0.4709 -0.4709 0.3977 0.3977 1.0234 1.0234 3.1133 3.1133 3.3372 3.3372 6.2683 6.2683 6.6923 6.6923 7.8125 7.8125 8.0121 8.0121 k = 0.5000 0.4900-0.0000 ( 4268 PWs) bands (ev): -23.0885 -23.0885 -23.0861 -23.0861 -10.2020 -10.2020 -8.0167 -8.0167 -7.7121 -7.7121 -7.3262 -7.3262 -6.9003 -6.9003 -6.8969 -6.8969 -6.7950 -6.7950 -5.9573 -5.9573 -0.4709 -0.4709 0.3967 0.3967 1.0240 1.0240 3.1136 3.1136 3.3381 3.3381 6.2680 6.2680 6.6931 6.6931 7.8104 7.8104 8.0145 8.0145 k = 0.5000 0.4900-0.0000 ( 4268 PWs) bands (ev): -23.0885 -23.0885 -23.0861 -23.0861 -10.2020 -10.2020 -8.0167 -8.0167 -7.7121 -7.7121 -7.3262 -7.3262 -6.9003 -6.9003 -6.8969 -6.8969 -6.7950 -6.7950 -5.9573 -5.9573 -0.4709 -0.4709 0.3967 0.3967 1.0240 1.0240 3.1136 3.1136 3.3381 3.3381 6.2680 6.2680 6.6931 6.6931 7.8104 7.8104 8.0145 8.0145 k = 0.4865 0.4768-0.0000 ( 4262 PWs) bands (ev): -23.0888 -23.0888 -23.0857 -23.0857 -10.2017 -10.2017 -8.0164 -8.0164 -7.7122 -7.7122 -7.3260 -7.3260 -6.9018 -6.9018 -6.8957 -6.8957 -6.7951 -6.7951 -5.9580 -5.9580 -0.4710 -0.4710 0.3976 0.3976 1.0236 1.0236 3.1137 3.1137 3.3376 3.3376 6.2684 6.2684 6.6947 6.6947 7.8074 7.8074 8.0123 8.0123 k = 0.4730 0.4635-0.0000 ( 4246 PWs) bands (ev): -23.0895 -23.0895 -23.0850 -23.0850 -10.2010 -10.2010 -8.0157 -8.0157 -7.7124 -7.7124 -7.3253 -7.3253 -6.9046 -6.9046 -6.8939 -6.8939 -6.7953 -6.7953 -5.9601 -5.9601 -0.4713 -0.4713 0.4001 0.4001 1.0227 1.0227 3.1141 3.1141 3.3360 3.3360 6.2695 6.2695 6.6994 6.6994 7.7975 7.7975 8.0071 8.0071 k = 0.4595 0.4503-0.0000 ( 4252 PWs) bands (ev): -23.0903 -23.0903 -23.0842 -23.0842 -10.1999 -10.1999 -8.0145 -8.0145 -7.7127 -7.7127 -7.3242 -7.3242 -6.9080 -6.9080 -6.8922 -6.8922 -6.7956 -6.7956 -5.9636 -5.9636 -0.4717 -0.4717 0.4044 0.4044 1.0212 1.0212 3.1147 3.1147 3.3333 3.3333 6.2713 6.2713 6.7074 6.7074 7.7785 7.7785 8.0018 8.0018 k = 0.4459 0.4370-0.0000 ( 4256 PWs) bands (ev): -23.0912 -23.0912 -23.0834 -23.0834 -10.1982 -10.1982 -8.0128 -8.0128 -7.7131 -7.7131 -7.3227 -7.3227 -6.9118 -6.9118 -6.8907 -6.8907 -6.7961 -6.7961 -5.9684 -5.9684 -0.4722 -0.4722 0.4103 0.4103 1.0190 1.0190 3.1156 3.1156 3.3296 3.3296 6.2737 6.2737 6.7186 6.7186 7.7479 7.7479 8.0001 8.0001 k = 0.4324 0.4238-0.0000 ( 4258 PWs) bands (ev): -23.0921 -23.0921 -23.0825 -23.0825 -10.1962 -10.1962 -8.0106 -8.0106 -7.7137 -7.7137 -7.3207 -7.3207 -6.9160 -6.9160 -6.8895 -6.8895 -6.7967 -6.7967 -5.9746 -5.9746 -0.4729 -0.4729 0.4177 0.4177 1.0163 1.0163 3.1167 3.1167 3.3250 3.3250 6.2768 6.2768 6.7328 6.7328 7.7049 7.7049 8.0042 8.0042 k = 0.4189 0.4105-0.0000 ( 4246 PWs) bands (ev): -23.0930 -23.0930 -23.0816 -23.0816 -10.1937 -10.1937 -8.0080 -8.0080 -7.7143 -7.7143 -7.3183 -7.3183 -6.9206 -6.9206 -6.8884 -6.8884 -6.7974 -6.7974 -5.9822 -5.9822 -0.4737 -0.4737 0.4267 0.4267 1.0129 1.0129 3.1181 3.1181 3.3194 3.3194 6.2804 6.2804 6.7501 6.7501 7.6504 7.6504 8.0146 8.0146 k = 0.4054 0.3973-0.0000 ( 4246 PWs) bands (ev): -23.0940 -23.0940 -23.0807 -23.0807 -10.1908 -10.1908 -8.0050 -8.0050 -7.7151 -7.7151 -7.3154 -7.3154 -6.9256 -6.9256 -6.8875 -6.8875 -6.7983 -6.7983 -5.9910 -5.9910 -0.4746 -0.4746 0.4371 0.4371 1.0091 1.0091 3.1197 3.1197 3.3129 3.3129 6.2846 6.2846 6.7705 6.7705 7.5865 7.5865 8.0308 8.0308 k = 0.3919 0.3841-0.0000 ( 4238 PWs) bands (ev): -23.0949 -23.0949 -23.0798 -23.0798 -10.1875 -10.1875 -8.0017 -8.0017 -7.7159 -7.7159 -7.3121 -7.3121 -6.9309 -6.9309 -6.8867 -6.8867 -6.7992 -6.7992 -6.0011 -6.0011 -0.4756 -0.4756 0.4488 0.4488 1.0047 1.0047 3.1215 3.1215 3.3056 3.3056 6.2892 6.2892 6.7938 6.7938 7.5152 7.5152 8.0520 8.0520 k = 0.3784 0.3708-0.0000 ( 4252 PWs) bands (ev): -23.0958 -23.0958 -23.0789 -23.0789 -10.1838 -10.1838 -7.9979 -7.9979 -7.7169 -7.7169 -7.3084 -7.3084 -6.9365 -6.9365 -6.8860 -6.8860 -6.8004 -6.8004 -6.0124 -6.0124 -0.4766 -0.4766 0.4617 0.4617 0.9998 0.9998 3.1236 3.1236 3.2976 3.2976 6.2941 6.2941 6.8199 6.8199 7.4384 7.4384 8.0776 8.0776 k = 0.3649 0.3576-0.0000 ( 4248 PWs) bands (ev): -23.0968 -23.0968 -23.0780 -23.0780 -10.1798 -10.1798 -7.9939 -7.9939 -7.7179 -7.7179 -7.3041 -7.3041 -6.9423 -6.9423 -6.8855 -6.8855 -6.8016 -6.8016 -6.0249 -6.0249 -0.4777 -0.4777 0.4758 0.4758 0.9945 0.9945 3.1258 3.1258 3.2889 3.2889 6.2993 6.2993 6.8488 6.8488 7.3576 7.3576 8.1072 8.1072 k = 0.3514 0.3443-0.0000 ( 4252 PWs) bands (ev): -23.0977 -23.0977 -23.0772 -23.0772 -10.1754 -10.1754 -7.9897 -7.9897 -7.7190 -7.7190 -7.2994 -7.2994 -6.9483 -6.9483 -6.8850 -6.8850 -6.8030 -6.8030 -6.0386 -6.0386 -0.4788 -0.4788 0.4908 0.4908 0.9888 0.9888 3.1281 3.1281 3.2796 3.2796 6.3047 6.3047 6.8802 6.8802 7.2742 7.2742 8.1402 8.1402 k = 0.3378 0.3311-0.0000 ( 4260 PWs) bands (ev): -23.0987 -23.0987 -23.0763 -23.0763 -10.1708 -10.1708 -7.9852 -7.9852 -7.7202 -7.7202 -7.2942 -7.2942 -6.9544 -6.9544 -6.8847 -6.8847 -6.8044 -6.8044 -6.0533 -6.0533 -0.4799 -0.4799 0.5066 0.5066 0.9827 0.9827 3.1306 3.1306 3.2700 3.2700 6.3102 6.3102 6.9140 6.9140 7.1893 7.1893 8.1763 8.1763 k = 0.3243 0.3178-0.0000 ( 4264 PWs) bands (ev): -23.0996 -23.0996 -23.0754 -23.0754 -10.1659 -10.1659 -7.9806 -7.9806 -7.7214 -7.7214 -7.2886 -7.2886 -6.9606 -6.9606 -6.8844 -6.8844 -6.8060 -6.8060 -6.0691 -6.0691 -0.4809 -0.4809 0.5231 0.5231 0.9763 0.9763 3.1332 3.1332 3.2599 3.2599 6.3157 6.3157 6.9492 6.9492 7.1045 7.1045 8.2150 8.2150 k = 0.3108 0.3046-0.0000 ( 4272 PWs) bands (ev): -23.1005 -23.1005 -23.0746 -23.0746 -10.1609 -10.1609 -7.9758 -7.9758 -7.7227 -7.7227 -7.2824 -7.2824 -6.9669 -6.9669 -6.8842 -6.8842 -6.8076 -6.8076 -6.0858 -6.0858 -0.4820 -0.4820 0.5403 0.5403 0.9696 0.9696 3.1358 3.1358 3.2497 3.2497 6.3210 6.3210 6.9777 6.9777 7.0287 7.0287 8.2561 8.2561 k = 0.2973 0.2913-0.0000 ( 4274 PWs) bands (ev): -23.1014 -23.1014 -23.0738 -23.0738 -10.1556 -10.1556 -7.9710 -7.9710 -7.7240 -7.7240 -7.2758 -7.2758 -6.9730 -6.9730 -6.8840 -6.8840 -6.8092 -6.8092 -6.1034 -6.1034 -0.4830 -0.4830 0.5578 0.5578 0.9626 0.9626 3.1384 3.1384 3.2393 3.2393 6.3262 6.3262 6.9241 6.9241 7.0377 7.0377 8.2990 8.2990 k = 0.2838 0.2781-0.0000 ( 4274 PWs) bands (ev): -23.1023 -23.1023 -23.0729 -23.0729 -10.1502 -10.1502 -7.9662 -7.9662 -7.7253 -7.7253 -7.2686 -7.2686 -6.9791 -6.9791 -6.8839 -6.8839 -6.8110 -6.8110 -6.1218 -6.1218 -0.4839 -0.4839 0.5757 0.5757 0.9556 0.9556 3.1408 3.1408 3.2291 3.2291 6.3311 6.3311 6.8418 6.8418 7.0783 7.0783 8.3432 8.3432 k = 0.2703 0.2649-0.0000 ( 4266 PWs) bands (ev): -23.1032 -23.1032 -23.0721 -23.0721 -10.1446 -10.1446 -7.9615 -7.9615 -7.7266 -7.7266 -7.2610 -7.2610 -6.9850 -6.9850 -6.8839 -6.8839 -6.8127 -6.8127 -6.1410 -6.1410 -0.4847 -0.4847 0.5937 0.5937 0.9484 0.9484 3.1428 3.1428 3.2193 3.2193 6.3357 6.3357 6.7593 6.7593 7.1224 7.1224 8.3881 8.3881 k = 0.2568 0.2516-0.0000 ( 4270 PWs) bands (ev): -23.1040 -23.1040 -23.0714 -23.0714 -10.1390 -10.1390 -7.9568 -7.9568 -7.7279 -7.7279 -7.2529 -7.2529 -6.9907 -6.9907 -6.8839 -6.8839 -6.8145 -6.8145 -6.1608 -6.1608 -0.4855 -0.4855 0.6118 0.6118 0.9411 0.9411 3.1443 3.1443 3.2101 3.2101 6.3399 6.3399 6.6783 6.6783 7.1683 7.1683 8.4328 8.4328 k = 0.2432 0.2384-0.0000 ( 4290 PWs) bands (ev): -23.1049 -23.1049 -23.0706 -23.0706 -10.1334 -10.1334 -7.9523 -7.9523 -7.7292 -7.7292 -7.2443 -7.2443 -6.9961 -6.9961 -6.8840 -6.8840 -6.8163 -6.8163 -6.1811 -6.1811 -0.4863 -0.4863 0.6297 0.6297 0.9339 0.9339 3.1447 3.1447 3.2021 3.2021 6.3437 6.3437 6.5995 6.5995 7.2156 7.2156 8.4765 8.4765 k = 0.2297 0.2251-0.0000 ( 4291 PWs) bands (ev): -23.1057 -23.1057 -23.0699 -23.0699 -10.1278 -10.1278 -7.9480 -7.9480 -7.7305 -7.7305 -7.2354 -7.2354 -7.0011 -7.0011 -6.8842 -6.8842 -6.8180 -6.8180 -6.2019 -6.2019 -0.4869 -0.4869 0.6475 0.6475 0.9267 0.9267 3.1436 3.1436 3.1958 3.1958 6.3469 6.3469 6.5232 6.5232 7.2638 7.2638 8.5183 8.5183 k = 0.2162 0.2119-0.0000 ( 4297 PWs) bands (ev): -23.1065 -23.1065 -23.0691 -23.0691 -10.1223 -10.1223 -7.9439 -7.9439 -7.7318 -7.7318 -7.2260 -7.2260 -7.0058 -7.0058 -6.8844 -6.8844 -6.8197 -6.8197 -6.2231 -6.2231 -0.4875 -0.4875 0.6648 0.6648 0.9196 0.9196 3.1405 3.1405 3.1917 3.1917 6.3495 6.3495 6.4500 6.4500 7.3125 7.3125 8.5570 8.5570 k = 0.2027 0.1986-0.0000 ( 4297 PWs) bands (ev): -23.1072 -23.1072 -23.0685 -23.0685 -10.1168 -10.1168 -7.9400 -7.9400 -7.7330 -7.7330 -7.2162 -7.2162 -7.0101 -7.0101 -6.8847 -6.8847 -6.8213 -6.8213 -6.2444 -6.2444 -0.4880 -0.4880 0.6817 0.6817 0.9127 0.9127 3.1355 3.1355 3.1898 3.1898 6.3503 6.3503 6.3813 6.3813 7.3614 7.3614 8.5916 8.5916 k = 0.1892 0.1854-0.0000 ( 4301 PWs) bands (ev): -23.1080 -23.1080 -23.0678 -23.0678 -10.1115 -10.1115 -7.9364 -7.9364 -7.7341 -7.7341 -7.2062 -7.2062 -7.0138 -7.0138 -6.8851 -6.8851 -6.8229 -6.8229 -6.2659 -6.2659 -0.4884 -0.4884 0.6980 0.6980 0.9061 0.9061 3.1290 3.1290 3.1897 3.1897 6.3108 6.3108 6.3558 6.3558 7.4099 7.4099 8.6213 8.6213 k = 0.1757 0.1722-0.0000 ( 4297 PWs) bands (ev): -23.1087 -23.1087 -23.0672 -23.0672 -10.1063 -10.1063 -7.9331 -7.9331 -7.7352 -7.7352 -7.1961 -7.1961 -7.0171 -7.0171 -6.8855 -6.8855 -6.8244 -6.8244 -6.2872 -6.2872 -0.4888 -0.4888 0.7135 0.7135 0.8998 0.8998 3.1216 3.1216 3.1908 3.1908 6.2484 6.2484 6.3564 6.3564 7.4576 7.4576 8.6455 8.6455 k = 0.1622 0.1589-0.0000 ( 4297 PWs) bands (ev): -23.1093 -23.1093 -23.0666 -23.0666 -10.1014 -10.1014 -7.9301 -7.9301 -7.7363 -7.7363 -7.1858 -7.1858 -7.0198 -7.0198 -6.8859 -6.8859 -6.8258 -6.8258 -6.3084 -6.3084 -0.4891 -0.4891 0.7281 0.7281 0.8939 0.8939 3.1139 3.1139 3.1926 3.1926 6.1892 6.1892 6.3572 6.3572 7.5039 7.5039 8.6640 8.6640 k = 0.1486 0.1457-0.0000 ( 4289 PWs) bands (ev): -23.1099 -23.1099 -23.0660 -23.0660 -10.0967 -10.0967 -7.9275 -7.9275 -7.7373 -7.7373 -7.1757 -7.1757 -7.0219 -7.0219 -6.8864 -6.8864 -6.8271 -6.8271 -6.3292 -6.3292 -0.4894 -0.4894 0.7418 0.7418 0.8885 0.8885 3.1062 3.1062 3.1948 3.1948 6.1339 6.1339 6.3577 6.3577 7.5483 7.5483 8.6775 8.6775 k = 0.1351 0.1324-0.0000 ( 4295 PWs) bands (ev): -23.1105 -23.1105 -23.0655 -23.0655 -10.0923 -10.0923 -7.9251 -7.9251 -7.7382 -7.7382 -7.1657 -7.1657 -7.0233 -7.0233 -6.8870 -6.8870 -6.8283 -6.8283 -6.3494 -6.3494 -0.4896 -0.4896 0.7543 0.7543 0.8836 0.8836 3.0988 3.0988 3.1971 3.1971 6.0829 6.0829 6.3580 6.3580 7.5903 7.5903 8.6866 8.6866 k = 0.1216 0.1192-0.0000 ( 4297 PWs) bands (ev): -23.1110 -23.1110 -23.0651 -23.0651 -10.0882 -10.0882 -7.9230 -7.9230 -7.7390 -7.7390 -7.1562 -7.1562 -7.0241 -7.0241 -6.8876 -6.8876 -6.8293 -6.8293 -6.3688 -6.3688 -0.4898 -0.4898 0.7657 0.7657 0.8794 0.8794 3.0918 3.0918 3.1995 3.1995 6.0361 6.0361 6.3580 6.3580 7.6294 7.6294 8.6926 8.6926 k = 0.1081 0.1059-0.0000 ( 4293 PWs) bands (ev): -23.1115 -23.1115 -23.0646 -23.0646 -10.0844 -10.0844 -7.9212 -7.9212 -7.7398 -7.7398 -7.1474 -7.1474 -7.0242 -7.0242 -6.8881 -6.8881 -6.8303 -6.8303 -6.3872 -6.3872 -0.4900 -0.4900 0.7756 0.7756 0.8758 0.8758 3.0853 3.0853 3.2019 3.2019 5.9939 5.9939 6.3578 6.3578 7.6649 7.6649 8.6964 8.6964 k = 0.0946 0.0927-0.0000 ( 4283 PWs) bands (ev): -23.1119 -23.1119 -23.0643 -23.0643 -10.0811 -10.0811 -7.9196 -7.9196 -7.7404 -7.7404 -7.1393 -7.1393 -7.0236 -7.0236 -6.8887 -6.8887 -6.8311 -6.8311 -6.4044 -6.4044 -0.4901 -0.4901 0.7842 0.7842 0.8730 0.8730 3.0795 3.0795 3.2040 3.2040 5.9564 5.9564 6.3574 6.3574 7.6967 7.6967 8.6991 8.6991 k = 0.0811 0.0795-0.0000 ( 4287 PWs) bands (ev): -23.1123 -23.1123 -23.0639 -23.0639 -10.0781 -10.0781 -7.9184 -7.9184 -7.7410 -7.7410 -7.1322 -7.1322 -7.0225 -7.0225 -6.8893 -6.8893 -6.8318 -6.8318 -6.4201 -6.4201 -0.4902 -0.4902 0.7912 0.7912 0.8710 0.8710 3.0743 3.0743 3.2060 3.2060 5.9236 5.9236 6.3570 6.3570 7.7243 7.7243 8.7014 8.7014 k = 0.0676 0.0662-0.0000 ( 4277 PWs) bands (ev): -23.1126 -23.1126 -23.0637 -23.0637 -10.0755 -10.0755 -7.9173 -7.9173 -7.7415 -7.7415 -7.1262 -7.1262 -7.0209 -7.0209 -6.8898 -6.8898 -6.8324 -6.8324 -6.4339 -6.4339 -0.4902 -0.4902 0.7968 0.7968 0.8698 0.8698 3.0698 3.0698 3.2078 3.2078 5.8956 5.8956 6.3565 6.3565 7.7476 7.7476 8.7035 8.7035 k = 0.0541 0.0530-0.0000 ( 4271 PWs) bands (ev): -23.1129 -23.1129 -23.0634 -23.0634 -10.0734 -10.0734 -7.9165 -7.9165 -7.7419 -7.7419 -7.1213 -7.1213 -7.0190 -7.0190 -6.8903 -6.8903 -6.8329 -6.8329 -6.4458 -6.4458 -0.4903 -0.4903 0.8010 0.8010 0.8692 0.8692 3.0661 3.0661 3.2092 3.2092 5.8727 5.8727 6.3561 6.3561 7.7665 7.7665 8.7056 8.7056 k = 0.0405 0.0397-0.0000 ( 4269 PWs) bands (ev): -23.1131 -23.1131 -23.0632 -23.0632 -10.0717 -10.0717 -7.9159 -7.9159 -7.7422 -7.7422 -7.1176 -7.1176 -7.0171 -7.0171 -6.8907 -6.8907 -6.8333 -6.8333 -6.4554 -6.4554 -0.4903 -0.4903 0.8040 0.8040 0.8690 0.8690 3.0632 3.0632 3.2104 3.2104 5.8547 5.8547 6.3556 6.3556 7.7810 7.7810 8.7076 8.7076 k = 0.0270 0.0265-0.0000 ( 4269 PWs) bands (ev): -23.1132 -23.1132 -23.0631 -23.0631 -10.0705 -10.0705 -7.9154 -7.9154 -7.7425 -7.7425 -7.1150 -7.1150 -7.0155 -7.0155 -6.8910 -6.8910 -6.8335 -6.8335 -6.4624 -6.4624 -0.4903 -0.4903 0.8059 0.8059 0.8691 0.8691 3.0611 3.0611 3.2112 3.2112 5.8419 5.8419 6.3553 6.3553 7.7913 7.7913 8.7093 8.7093 k = 0.0135 0.0132-0.0000 ( 4269 PWs) bands (ev): -23.1133 -23.1133 -23.0630 -23.0630 -10.0698 -10.0698 -7.9152 -7.9152 -7.7426 -7.7426 -7.1135 -7.1135 -7.0145 -7.0145 -6.8912 -6.8912 -6.8337 -6.8337 -6.4666 -6.4666 -0.4903 -0.4903 0.8069 0.8069 0.8692 0.8692 3.0598 3.0598 3.2118 3.2118 5.8341 5.8341 6.3551 6.3551 7.7974 7.7974 8.7105 8.7105 k = 0.0000 0.0000 0.0000 ( 4261 PWs) bands (ev): -23.1133 -23.1133 -23.0630 -23.0630 -10.0696 -10.0696 -7.9151 -7.9151 -7.7427 -7.7427 -7.1130 -7.1130 -7.0141 -7.0141 -6.8913 -6.8913 -6.8337 -6.8337 -6.4681 -6.4681 -0.4903 -0.4903 0.8073 0.8073 0.8693 0.8693 3.0594 3.0594 3.2119 3.2119 5.8316 5.8316 6.3551 6.3551 7.7995 7.7995 8.7109 8.7109 k = 0.0000 0.0000 0.0000 ( 4261 PWs) bands (ev): -23.1133 -23.1133 -23.0630 -23.0630 -10.0696 -10.0696 -7.9151 -7.9151 -7.7427 -7.7427 -7.1130 -7.1130 -7.0141 -7.0141 -6.8913 -6.8913 -6.8337 -6.8337 -6.4681 -6.4681 -0.4903 -0.4903 0.8073 0.8073 0.8693 0.8693 3.0594 3.0594 3.2119 3.2119 5.8316 5.8316 6.3551 6.3551 7.7995 7.7995 8.7109 8.7109 k = 0.0107-0.0109 0.0111 ( 4275 PWs) bands (ev): -23.1133 -23.1133 -23.0630 -23.0630 -10.0697 -10.0697 -7.9150 -7.9150 -7.7428 -7.7428 -7.1133 -7.1133 -7.0141 -7.0141 -6.8913 -6.8913 -6.8338 -6.8338 -6.4672 -6.4672 -0.4896 -0.4896 0.8072 0.8072 0.8694 0.8694 3.0594 3.0594 3.2115 3.2115 5.8268 5.8268 6.3554 6.3554 7.8057 7.8057 8.7114 8.7114 k = 0.0214-0.0219 0.0223 ( 4281 PWs) bands (ev): -23.1132 -23.1132 -23.0631 -23.0631 -10.0701 -10.0701 -7.9149 -7.9149 -7.7430 -7.7430 -7.1145 -7.1145 -7.0140 -7.0140 -6.8916 -6.8916 -6.8341 -6.8341 -6.4647 -6.4647 -0.4872 -0.4872 0.8071 0.8071 0.8696 0.8696 3.0597 3.0597 3.2100 3.2100 5.8125 5.8125 6.3566 6.3566 7.8239 7.8239 8.7130 8.7130 k = 0.0321-0.0328 0.0334 ( 4281 PWs) bands (ev): -23.1130 -23.1130 -23.0633 -23.0633 -10.0708 -10.0708 -7.9148 -7.9148 -7.7435 -7.7435 -7.1163 -7.1163 -7.0139 -7.0139 -6.8919 -6.8919 -6.8347 -6.8347 -6.4604 -6.4604 -0.4833 -0.4833 0.8068 0.8068 0.8701 0.8701 3.0600 3.0600 3.2076 3.2076 5.7889 5.7889 6.3596 6.3596 7.8529 7.8529 8.7156 8.7156 k = 0.0428-0.0437 0.0446 ( 4283 PWs) bands (ev): -23.1128 -23.1128 -23.0635 -23.0635 -10.0717 -10.0717 -7.9145 -7.9145 -7.7442 -7.7442 -7.1189 -7.1189 -7.0136 -7.0136 -6.8924 -6.8924 -6.8354 -6.8354 -6.4545 -6.4545 -0.4779 -0.4779 0.8064 0.8064 0.8708 0.8708 3.0605 3.0605 3.2044 3.2044 5.7566 5.7566 6.3654 6.3654 7.8908 7.8908 8.7192 8.7192 k = 0.0535-0.0546 0.0557 ( 4273 PWs) bands (ev): -23.1126 -23.1126 -23.0637 -23.0637 -10.0729 -10.0729 -7.9142 -7.9142 -7.7450 -7.7450 -7.1221 -7.1221 -7.0129 -7.0129 -6.8931 -6.8931 -6.8365 -6.8365 -6.4471 -6.4471 -0.4712 -0.4712 0.8057 0.8057 0.8717 0.8717 3.0612 3.0612 3.2003 3.2003 5.7165 5.7165 6.3749 6.3749 7.9352 7.9352 8.7240 8.7240 k = 0.0642-0.0656 0.0668 ( 4275 PWs) bands (ev): -23.1122 -23.1122 -23.0640 -23.0640 -10.0744 -10.0744 -7.9138 -7.9138 -7.7461 -7.7461 -7.1260 -7.1260 -7.0120 -7.0120 -6.8940 -6.8940 -6.8378 -6.8378 -6.4382 -6.4382 -0.4632 -0.4632 0.8046 0.8046 0.8730 0.8730 3.0620 3.0620 3.1954 3.1954 5.6699 5.6699 6.3886 6.3886 7.9839 7.9839 8.7299 8.7299 k = 0.0750-0.0765 0.0780 ( 4261 PWs) bands (ev): -23.1118 -23.1118 -23.0644 -23.0644 -10.0761 -10.0761 -7.9134 -7.9134 -7.7474 -7.7474 -7.1304 -7.1304 -7.0106 -7.0106 -6.8951 -6.8951 -6.8395 -6.8395 -6.4279 -6.4279 -0.4540 -0.4540 0.8030 0.8030 0.8747 0.8747 3.0631 3.0631 3.1898 3.1898 5.6181 5.6181 6.4069 6.4069 8.0344 8.0344 8.7369 8.7369 k = 0.0857-0.0874 0.0891 ( 4263 PWs) bands (ev): -23.1114 -23.1114 -23.0648 -23.0648 -10.0781 -10.0781 -7.9129 -7.9129 -7.7489 -7.7489 -7.1353 -7.1353 -7.0087 -7.0087 -6.8963 -6.8963 -6.8414 -6.8414 -6.4164 -6.4164 -0.4438 -0.4438 0.8009 0.8009 0.8769 0.8769 3.0643 3.0643 3.1836 3.1836 5.5628 5.5628 6.4298 6.4298 8.0843 8.0843 8.7452 8.7452 k = 0.0964-0.0983 0.1003 ( 4271 PWs) bands (ev): -23.1109 -23.1109 -23.0653 -23.0653 -10.0803 -10.0803 -7.9123 -7.9123 -7.7507 -7.7507 -7.1405 -7.1405 -7.0064 -7.0064 -6.8978 -6.8978 -6.8436 -6.8436 -6.4038 -6.4038 -0.4327 -0.4327 0.7982 0.7982 0.8795 0.8795 3.0657 3.0657 3.1770 3.1770 5.5055 5.5055 6.4570 6.4570 8.1314 8.1314 8.7547 8.7547 k = 0.1071-0.1093 0.1114 ( 4271 PWs) bands (ev): -23.1104 -23.1104 -23.0658 -23.0658 -10.0827 -10.0827 -7.9117 -7.9117 -7.7527 -7.7527 -7.1460 -7.1460 -7.0035 -7.0035 -6.8995 -6.8995 -6.8460 -6.8460 -6.3903 -6.3903 -0.4210 -0.4210 0.7947 0.7947 0.8825 0.8825 3.0674 3.0674 3.1700 3.1700 5.4475 5.4475 6.4884 6.4884 8.1735 8.1735 8.7655 8.7655 k = 0.1178-0.1202 0.1226 ( 4271 PWs) bands (ev): -23.1098 -23.1098 -23.0663 -23.0663 -10.0854 -10.0854 -7.9111 -7.9111 -7.7550 -7.7550 -7.1516 -7.1516 -7.0002 -7.0002 -6.9015 -6.9015 -6.8485 -6.8485 -6.3758 -6.3758 -0.4089 -0.4089 0.7905 0.7905 0.8861 0.8861 3.0692 3.0692 3.1627 3.1627 5.3901 5.3901 6.5237 6.5237 8.2084 8.2084 8.7775 8.7775 k = 0.1285-0.1311 0.1337 ( 4275 PWs) bands (ev): -23.1091 -23.1091 -23.0669 -23.0669 -10.0883 -10.0883 -7.9105 -7.9105 -7.7574 -7.7574 -7.1573 -7.1573 -6.9963 -6.9963 -6.9038 -6.9038 -6.8512 -6.8512 -6.3607 -6.3607 -0.3965 -0.3965 0.7854 0.7854 0.8900 0.8900 3.0713 3.0713 3.1554 3.1554 5.3342 5.3342 6.5625 6.5625 8.2340 8.2340 8.7892 8.7892 k = 0.1392-0.1420 0.1448 ( 4295 PWs) bands (ev): -23.1084 -23.1084 -23.0676 -23.0676 -10.0914 -10.0914 -7.9100 -7.9100 -7.7600 -7.7600 -7.1629 -7.1629 -6.9921 -6.9921 -6.9063 -6.9063 -6.8538 -6.8538 -6.3449 -6.3449 -0.3840 -0.3840 0.7796 0.7796 0.8944 0.8944 3.0735 3.0735 3.1483 3.1483 5.2808 5.2808 6.6047 6.6047 8.2487 8.2487 8.7853 8.7853 k = 0.1499-0.1530 0.1560 ( 4287 PWs) bands (ev): -23.1077 -23.1077 -23.0683 -23.0683 -10.0948 -10.0948 -7.9095 -7.9095 -7.7628 -7.7628 -7.1684 -7.1684 -6.9873 -6.9873 -6.9091 -6.9091 -6.8563 -6.8563 -6.3287 -6.3287 -0.3718 -0.3718 0.7728 0.7728 0.8992 0.8992 3.0757 3.0757 3.1415 3.1415 5.2308 5.2308 6.6496 6.6496 8.2513 8.2513 8.7703 8.7703 k = 0.1606-0.1639 0.1671 ( 4275 PWs) bands (ev): -23.1070 -23.1070 -23.0690 -23.0690 -10.0983 -10.0983 -7.9091 -7.9091 -7.7656 -7.7656 -7.1738 -7.1738 -6.9822 -6.9822 -6.9122 -6.9122 -6.8587 -6.8587 -6.3120 -6.3120 -0.3599 -0.3599 0.7652 0.7652 0.9043 0.9043 3.0778 3.0778 3.1355 3.1355 5.1849 5.1849 6.6971 6.6971 8.2419 8.2419 8.7608 8.7608 k = 0.1713-0.1748 0.1783 ( 4279 PWs) bands (ev): -23.1062 -23.1062 -23.0697 -23.0697 -10.1019 -10.1019 -7.9089 -7.9089 -7.7685 -7.7685 -7.1791 -7.1791 -6.9767 -6.9767 -6.9154 -6.9154 -6.8610 -6.8610 -6.2951 -6.2951 -0.3487 -0.3487 0.7567 0.7567 0.9096 0.9096 3.0795 3.0795 3.1305 3.1305 5.1435 5.1435 6.7466 6.7466 8.2221 8.2221 8.7577 8.7577 k = 0.1820-0.1857 0.1894 ( 4261 PWs) bands (ev): -23.1054 -23.1054 -23.0705 -23.0705 -10.1058 -10.1058 -7.9089 -7.9089 -7.7713 -7.7713 -7.1842 -7.1842 -6.9709 -6.9709 -6.9188 -6.9188 -6.8630 -6.8630 -6.2781 -6.2781 -0.3383 -0.3383 0.7473 0.7473 0.9152 0.9152 3.0804 3.0804 3.1271 3.1271 5.1074 5.1074 6.7975 6.7975 8.1940 8.1940 8.7597 8.7597 k = 0.1927-0.1967 0.2005 ( 4275 PWs) bands (ev): -23.1045 -23.1045 -23.0713 -23.0713 -10.1098 -10.1098 -7.9092 -7.9092 -7.7740 -7.7740 -7.1893 -7.1893 -6.9647 -6.9647 -6.9221 -6.9221 -6.8649 -6.8649 -6.2609 -6.2609 -0.3290 -0.3290 0.7371 0.7371 0.9209 0.9209 3.0802 3.0802 3.1257 3.1257 5.0768 5.0768 6.8491 6.8491 8.1604 8.1604 8.7657 8.7657 k = 0.2034-0.2076 0.2117 ( 4287 PWs) bands (ev): -23.1036 -23.1036 -23.0721 -23.0721 -10.1139 -10.1139 -7.9099 -7.9099 -7.7764 -7.7764 -7.1942 -7.1942 -6.9584 -6.9584 -6.9255 -6.9255 -6.8665 -6.8665 -6.2437 -6.2437 -0.3209 -0.3209 0.7260 0.7260 0.9268 0.9268 3.0789 3.0789 3.1267 3.1267 5.0523 5.0523 6.9006 6.9006 8.1239 8.1239 8.7744 8.7744 k = 0.2141-0.2185 0.2228 ( 4283 PWs) bands (ev): -23.1028 -23.1028 -23.0729 -23.0729 -10.1181 -10.1181 -7.9111 -7.9111 -7.7784 -7.7784 -7.1991 -7.1991 -6.9518 -6.9518 -6.9286 -6.9286 -6.8679 -6.8679 -6.2266 -6.2266 -0.3141 -0.3141 0.7142 0.7142 0.9327 0.9327 3.0766 3.0766 3.1296 3.1296 5.0341 5.0341 6.9510 6.9510 8.0868 8.0868 8.7850 8.7850 k = 0.2249-0.2294 0.2340 ( 4283 PWs) bands (ev): -23.1019 -23.1019 -23.0737 -23.0737 -10.1225 -10.1225 -7.9129 -7.9129 -7.7799 -7.7799 -7.2039 -7.2039 -6.9451 -6.9451 -6.9313 -6.9313 -6.8691 -6.8691 -6.2096 -6.2096 -0.3089 -0.3089 0.7015 0.7015 0.9386 0.9386 3.0739 3.0739 3.1343 3.1343 5.0225 5.0225 6.9991 6.9991 8.0512 8.0512 8.7973 8.7973 k = 0.2356-0.2404 0.2451 ( 4283 PWs) bands (ev): -23.1009 -23.1009 -23.0746 -23.0746 -10.1269 -10.1269 -7.9152 -7.9152 -7.7809 -7.7809 -7.2089 -7.2089 -6.9391 -6.9391 -6.9329 -6.9329 -6.8702 -6.8702 -6.1929 -6.1929 -0.3052 -0.3052 0.6882 0.6882 0.9446 0.9446 3.0711 3.0711 3.1402 3.1402 5.0177 5.0177 7.0432 7.0432 8.0191 8.0191 8.8111 8.8111 k = 0.2463-0.2513 0.2563 ( 4275 PWs) bands (ev): -23.1000 -23.1000 -23.0755 -23.0755 -10.1313 -10.1313 -7.9181 -7.9181 -7.7812 -7.7812 -7.2139 -7.2139 -6.9377 -6.9377 -6.9293 -6.9293 -6.8710 -6.8710 -6.1764 -6.1764 -0.3033 -0.3033 0.6742 0.6742 0.9504 0.9504 3.0685 3.0685 3.1472 3.1472 5.0198 5.0198 7.0819 7.0819 7.9925 7.9925 8.8268 8.8268 k = 0.2570-0.2622 0.2674 ( 4263 PWs) bands (ev): -23.0991 -23.0991 -23.0763 -23.0763 -10.1358 -10.1358 -7.9216 -7.9216 -7.7809 -7.7809 -7.2190 -7.2190 -6.9390 -6.9390 -6.9227 -6.9227 -6.8717 -6.8717 -6.1602 -6.1602 -0.3030 -0.3030 0.6596 0.6596 0.9562 0.9562 3.0665 3.0665 3.1550 3.1550 5.0288 5.0288 7.1131 7.1131 7.9730 7.9730 8.8445 8.8445 k = 0.2677-0.2732 0.2785 ( 4259 PWs) bands (ev): -23.0982 -23.0982 -23.0772 -23.0772 -10.1403 -10.1403 -7.9257 -7.9257 -7.7799 -7.7799 -7.2243 -7.2243 -6.9402 -6.9402 -6.9156 -6.9156 -6.8721 -6.8721 -6.1444 -6.1444 -0.3044 -0.3044 0.6445 0.6445 0.9618 0.9618 3.0650 3.0650 3.1635 3.1635 5.0448 5.0448 7.1355 7.1355 7.9619 7.9619 8.8648 8.8648 k = 0.2784-0.2841 0.2897 ( 4275 PWs) bands (ev): -23.0973 -23.0973 -23.0780 -23.0780 -10.1448 -10.1448 -7.9303 -7.9303 -7.7783 -7.7783 -7.2298 -7.2298 -6.9409 -6.9409 -6.9087 -6.9087 -6.8721 -6.8721 -6.1290 -6.1290 -0.3075 -0.3075 0.6289 0.6289 0.9673 0.9673 3.0641 3.0641 3.1726 3.1726 5.0677 5.0677 7.1480 7.1480 7.9596 7.9596 8.8883 8.8883 k = 0.2891-0.2950 0.3008 ( 4281 PWs) bands (ev): -23.0964 -23.0964 -23.0788 -23.0788 -10.1493 -10.1493 -7.9354 -7.9354 -7.7761 -7.7761 -7.2355 -7.2355 -6.9412 -6.9412 -6.9021 -6.9021 -6.8717 -6.8717 -6.1140 -6.1140 -0.3121 -0.3121 0.6130 0.6130 0.9726 0.9726 3.0639 3.0639 3.1822 3.1822 5.0973 5.0973 7.1505 7.1505 7.9656 7.9656 8.9157 8.9157 k = 0.2998-0.3059 0.3120 ( 4277 PWs) bands (ev): -23.0955 -23.0955 -23.0797 -23.0797 -10.1537 -10.1537 -7.9408 -7.9408 -7.7733 -7.7733 -7.2413 -7.2413 -6.9409 -6.9409 -6.8962 -6.8962 -6.8706 -6.8706 -6.0996 -6.0996 -0.3182 -0.3182 0.5969 0.5969 0.9777 0.9777 3.0644 3.0644 3.1923 3.1923 5.1336 5.1336 7.1438 7.1438 7.9781 7.9781 8.9152 8.9152 k = 0.3105-0.3169 0.3231 ( 4287 PWs) bands (ev): -23.0947 -23.0947 -23.0805 -23.0805 -10.1580 -10.1580 -7.9465 -7.9465 -7.7701 -7.7701 -7.2473 -7.2473 -6.9402 -6.9402 -6.8915 -6.8915 -6.8683 -6.8683 -6.0857 -6.0857 -0.3256 -0.3256 0.5807 0.5807 0.9825 0.9825 3.0655 3.0655 3.2027 3.2027 5.1761 5.1761 7.1294 7.1294 7.9950 7.9950 8.8364 8.8364 k = 0.3212-0.3278 0.3342 ( 4289 PWs) bands (ev): -23.0938 -23.0938 -23.0813 -23.0813 -10.1622 -10.1622 -7.9524 -7.9524 -7.7664 -7.7664 -7.2535 -7.2535 -6.9391 -6.9391 -6.8882 -6.8882 -6.8645 -6.8645 -6.0723 -6.0723 -0.3342 -0.3342 0.5645 0.5645 0.9872 0.9872 3.0672 3.0672 3.2134 3.2134 5.2247 5.2247 7.1090 7.1090 8.0134 8.0134 8.7563 8.7563 k = 0.3319-0.3387 0.3454 ( 4287 PWs) bands (ev): -23.0930 -23.0930 -23.0820 -23.0820 -10.1663 -10.1663 -7.9584 -7.9584 -7.7625 -7.7625 -7.2597 -7.2597 -6.9375 -6.9375 -6.8864 -6.8864 -6.8595 -6.8595 -6.0596 -6.0596 -0.3438 -0.3438 0.5484 0.5484 0.9915 0.9915 3.0694 3.0694 3.2242 3.2242 5.2789 5.2789 7.0842 7.0842 8.0310 8.0310 8.6775 8.6775 k = 0.3426-0.3496 0.3565 ( 4295 PWs) bands (ev): -23.0922 -23.0922 -23.0827 -23.0827 -10.1703 -10.1703 -7.9644 -7.9644 -7.7583 -7.7583 -7.2660 -7.2660 -6.9357 -6.9357 -6.8855 -6.8855 -6.8537 -6.8537 -6.0475 -6.0475 -0.3541 -0.3541 0.5326 0.5326 0.9956 0.9956 3.0722 3.0722 3.2352 3.2352 5.3384 5.3384 7.0565 7.0565 8.0457 8.0457 8.6013 8.6013 k = 0.3533-0.3606 0.3677 ( 4293 PWs) bands (ev): -23.0915 -23.0915 -23.0834 -23.0834 -10.1741 -10.1741 -7.9703 -7.9703 -7.7539 -7.7539 -7.2723 -7.2723 -6.9335 -6.9335 -6.8852 -6.8852 -6.8475 -6.8475 -6.0361 -6.0361 -0.3650 -0.3650 0.5171 0.5171 0.9994 0.9994 3.0753 3.0753 3.2460 3.2460 5.4027 5.4027 7.0271 7.0271 8.0557 8.0557 8.5285 8.5285 k = 0.3641-0.3715 0.3788 ( 4293 PWs) bands (ev): -23.0908 -23.0908 -23.0841 -23.0841 -10.1778 -10.1778 -7.9761 -7.9761 -7.7494 -7.7494 -7.2785 -7.2785 -6.9311 -6.9311 -6.8852 -6.8852 -6.8412 -6.8412 -6.0254 -6.0254 -0.3763 -0.3763 0.5021 0.5021 1.0030 1.0030 3.0788 3.0788 3.2568 3.2568 5.4712 5.4712 6.9968 6.9968 8.0601 8.0601 8.4595 8.4595 k = 0.3748-0.3824 0.3900 ( 4297 PWs) bands (ev): -23.0901 -23.0901 -23.0847 -23.0847 -10.1812 -10.1812 -7.9816 -7.9816 -7.7449 -7.7449 -7.2846 -7.2846 -6.9285 -6.9285 -6.8855 -6.8855 -6.8351 -6.8351 -6.0153 -6.0153 -0.3877 -0.3877 0.4877 0.4877 1.0062 1.0062 3.0825 3.0825 3.2673 3.2673 5.5433 5.5433 6.9662 6.9662 8.0582 8.0582 8.3948 8.3948 k = 0.3855-0.3933 0.4011 ( 4287 PWs) bands (ev): -23.0895 -23.0895 -23.0853 -23.0853 -10.1844 -10.1844 -7.9869 -7.9869 -7.7405 -7.7405 -7.2905 -7.2905 -6.9258 -6.9258 -6.8859 -6.8859 -6.8291 -6.8291 -6.0060 -6.0060 -0.3991 -0.3991 0.4740 0.4740 1.0092 1.0092 3.0863 3.0863 3.2775 3.2775 5.6184 5.6184 6.9359 6.9359 8.0498 8.0498 8.3346 8.3346 k = 0.3962-0.4043 0.4122 ( 4279 PWs) bands (ev): -23.0889 -23.0889 -23.0858 -23.0858 -10.1874 -10.1874 -7.9919 -7.9919 -7.7361 -7.7361 -7.2962 -7.2962 -6.9230 -6.9230 -6.8865 -6.8865 -6.8235 -6.8235 -5.9975 -5.9975 -0.4102 -0.4102 0.4611 0.4611 1.0119 1.0119 3.0902 3.0902 3.2872 3.2872 5.6956 5.6956 6.9061 6.9061 8.0351 8.0351 8.2790 8.2790 k = 0.4069-0.4152 0.4234 ( 4277 PWs) bands (ev): -23.0883 -23.0883 -23.0863 -23.0863 -10.1902 -10.1902 -7.9965 -7.9965 -7.7320 -7.7320 -7.3015 -7.3015 -6.9202 -6.9202 -6.8871 -6.8871 -6.8183 -6.8183 -5.9898 -5.9898 -0.4208 -0.4208 0.4492 0.4492 1.0143 1.0143 3.0941 3.0941 3.2963 3.2963 5.7741 5.7741 6.8771 6.8771 8.0146 8.0146 8.2284 8.2284 k = 0.4069-0.4152 0.4234 ( 4277 PWs) bands (ev): -23.0883 -23.0883 -23.0863 -23.0863 -10.1902 -10.1902 -7.9965 -7.9965 -7.7320 -7.7320 -7.3015 -7.3015 -6.9202 -6.9202 -6.8871 -6.8871 -6.8183 -6.8183 -5.9898 -5.9898 -0.4208 -0.4208 0.4492 0.4492 1.0143 1.0143 3.0941 3.0941 3.2963 3.2963 5.7741 5.7741 6.8771 6.8771 8.0146 8.0146 8.2284 8.2284 k = 0.4108-0.3983 0.4166 ( 4288 PWs) bands (ev): -23.0888 -23.0888 -23.0859 -23.0859 -10.1884 -10.1884 -7.9936 -7.9936 -7.7345 -7.7345 -7.2982 -7.2982 -6.9220 -6.9220 -6.8869 -6.8869 -6.8215 -6.8215 -5.9947 -5.9947 -0.4144 -0.4144 0.4567 0.4567 1.0127 1.0127 3.0918 3.0918 3.2906 3.2906 5.7265 5.7265 6.8957 6.8957 8.0255 8.0255 8.2566 8.2566 k = 0.4146-0.3814 0.4098 ( 4285 PWs) bands (ev): -23.0894 -23.0894 -23.0853 -23.0853 -10.1863 -10.1863 -7.9902 -7.9902 -7.7372 -7.7372 -7.2945 -7.2945 -6.9240 -6.9240 -6.8869 -6.8869 -6.8248 -6.8248 -6.0004 -6.0004 -0.4079 -0.4079 0.4654 0.4654 1.0107 1.0107 3.0894 3.0894 3.2841 3.2841 5.6803 5.6803 6.9166 6.9166 8.0304 8.0304 8.2814 8.2814 k = 0.4185-0.3646 0.4030 ( 4288 PWs) bands (ev): -23.0900 -23.0900 -23.0847 -23.0847 -10.1840 -10.1840 -7.9865 -7.9865 -7.7401 -7.7401 -7.2905 -7.2905 -6.9261 -6.9261 -6.8875 -6.8875 -6.8283 -6.8283 -6.0069 -6.0069 -0.4012 -0.4012 0.4751 0.4751 1.0084 1.0084 3.0869 3.0869 3.2771 3.2771 5.6356 5.6356 6.9396 6.9396 8.0299 8.0299 8.3015 8.3015 k = 0.4224-0.3477 0.3962 ( 4286 PWs) bands (ev): -23.0907 -23.0907 -23.0841 -23.0841 -10.1814 -10.1814 -7.9823 -7.9823 -7.7431 -7.7431 -7.2861 -7.2861 -6.9283 -6.9283 -6.8885 -6.8885 -6.8320 -6.8320 -6.0140 -6.0140 -0.3945 -0.3945 0.4856 0.4856 1.0058 1.0058 3.0843 3.0843 3.2696 3.2696 5.5927 5.5927 6.9648 6.9648 8.0245 8.0245 8.3160 8.3160 k = 0.4263-0.3308 0.3894 ( 4279 PWs) bands (ev): -23.0913 -23.0913 -23.0835 -23.0835 -10.1785 -10.1785 -7.9778 -7.9778 -7.7462 -7.7462 -7.2815 -7.2815 -6.9305 -6.9305 -6.8902 -6.8902 -6.8357 -6.8357 -6.0215 -6.0215 -0.3877 -0.3877 0.4969 0.4969 1.0029 1.0029 3.0816 3.0816 3.2616 3.2616 5.5519 5.5519 6.9919 6.9919 8.0145 8.0145 8.3242 8.3242 k = 0.4302-0.3139 0.3826 ( 4273 PWs) bands (ev): -23.0920 -23.0920 -23.0829 -23.0829 -10.1755 -10.1755 -7.9729 -7.9729 -7.7494 -7.7494 -7.2766 -7.2766 -6.9328 -6.9328 -6.8924 -6.8924 -6.8395 -6.8395 -6.0294 -6.0294 -0.3809 -0.3809 0.5087 0.5087 0.9998 0.9998 3.0787 3.0787 3.2533 3.2533 5.5134 5.5134 7.0208 7.0208 8.0006 8.0006 8.3260 8.3260 k = 0.4340-0.2970 0.3758 ( 4277 PWs) bands (ev): -23.0926 -23.0926 -23.0824 -23.0824 -10.1723 -10.1723 -7.9676 -7.9676 -7.7527 -7.7527 -7.2715 -7.2715 -6.9351 -6.9351 -6.8952 -6.8952 -6.8433 -6.8433 -6.0375 -6.0375 -0.3741 -0.3741 0.5210 0.5210 0.9965 0.9965 3.0756 3.0756 3.2449 3.2449 5.4773 5.4773 7.0513 7.0513 7.9831 7.9831 8.3215 8.3215 k = 0.4379-0.2802 0.3690 ( 4275 PWs) bands (ev): -23.0932 -23.0932 -23.0818 -23.0818 -10.1690 -10.1690 -7.9621 -7.9621 -7.7561 -7.7561 -7.2661 -7.2661 -6.9374 -6.9374 -6.8986 -6.8986 -6.8471 -6.8471 -6.0458 -6.0458 -0.3674 -0.3674 0.5336 0.5336 0.9930 0.9930 3.0724 3.0724 3.2362 3.2362 5.4437 5.4437 7.0832 7.0832 7.9626 7.9626 8.3113 8.3113 k = 0.4418-0.2633 0.3622 ( 4279 PWs) bands (ev): -23.0937 -23.0937 -23.0813 -23.0813 -10.1656 -10.1656 -7.9563 -7.9563 -7.7595 -7.7595 -7.2605 -7.2605 -6.9397 -6.9397 -6.9025 -6.9025 -6.8508 -6.8508 -6.0540 -6.0540 -0.3607 -0.3607 0.5462 0.5462 0.9895 0.9895 3.0689 3.0689 3.2276 3.2276 5.4126 5.4126 7.1162 7.1162 7.9396 7.9396 8.2961 8.2961 k = 0.4457-0.2464 0.3554 ( 4274 PWs) bands (ev): -23.0942 -23.0942 -23.0808 -23.0808 -10.1622 -10.1622 -7.9503 -7.9503 -7.7631 -7.7631 -7.2548 -7.2548 -6.9421 -6.9421 -6.9070 -6.9070 -6.8544 -6.8544 -6.0622 -6.0622 -0.3542 -0.3542 0.5589 0.5589 0.9859 0.9859 3.0654 3.0654 3.2191 3.2191 5.3842 5.3842 7.1499 7.1499 7.9146 7.9146 8.2771 8.2771 k = 0.4496-0.2295 0.3486 ( 4280 PWs) bands (ev): -23.0947 -23.0947 -23.0804 -23.0804 -10.1588 -10.1588 -7.9442 -7.9442 -7.7667 -7.7667 -7.2489 -7.2489 -6.9445 -6.9445 -6.9119 -6.9119 -6.8578 -6.8578 -6.0702 -6.0702 -0.3479 -0.3479 0.5714 0.5714 0.9824 0.9824 3.0616 3.0616 3.2107 3.2107 5.3585 5.3585 7.1841 7.1841 7.8879 7.8879 8.2553 8.2553 k = 0.4534-0.2126 0.3418 ( 4278 PWs) bands (ev): -23.0952 -23.0952 -23.0799 -23.0799 -10.1554 -10.1554 -7.9379 -7.9379 -7.7703 -7.7703 -7.2430 -7.2430 -6.9472 -6.9472 -6.9171 -6.9171 -6.8611 -6.8611 -6.0778 -6.0778 -0.3418 -0.3418 0.5835 0.5835 0.9789 0.9789 3.0578 3.0578 3.2025 3.2025 5.3354 5.3354 7.2183 7.2183 7.8602 7.8602 8.2318 8.2318 k = 0.4573-0.1958 0.3350 ( 4282 PWs) bands (ev): -23.0957 -23.0957 -23.0795 -23.0795 -10.1521 -10.1521 -7.9315 -7.9315 -7.7740 -7.7740 -7.2369 -7.2369 -6.9501 -6.9501 -6.9223 -6.9223 -6.8642 -6.8642 -6.0851 -6.0851 -0.3359 -0.3359 0.5952 0.5952 0.9755 0.9755 3.0540 3.0540 3.1947 3.1947 5.3148 5.3148 7.2522 7.2522 7.8318 7.8318 8.2078 8.2078 k = 0.4612-0.1789 0.3282 ( 4285 PWs) bands (ev): -23.0961 -23.0961 -23.0792 -23.0792 -10.1490 -10.1490 -7.9251 -7.9251 -7.7777 -7.7777 -7.2309 -7.2309 -6.9535 -6.9535 -6.9272 -6.9272 -6.8671 -6.8671 -6.0919 -6.0919 -0.3304 -0.3304 0.6064 0.6064 0.9722 0.9722 3.0501 3.0501 3.1873 3.1873 5.2966 5.2966 7.2853 7.2853 7.8033 7.8033 8.1841 8.1841 k = 0.4651-0.1620 0.3214 ( 4279 PWs) bands (ev): -23.0964 -23.0964 -23.0788 -23.0788 -10.1460 -10.1460 -7.9188 -7.9188 -7.7814 -7.7814 -7.2249 -7.2249 -6.9575 -6.9575 -6.9317 -6.9317 -6.8697 -6.8697 -6.0982 -6.0982 -0.3252 -0.3252 0.6168 0.6168 0.9691 0.9691 3.0464 3.0464 3.1803 3.1803 5.2809 5.2809 7.3173 7.3173 7.7752 7.7752 8.1615 8.1615 k = 0.4690-0.1451 0.3146 ( 4277 PWs) bands (ev): -23.0968 -23.0968 -23.0785 -23.0785 -10.1432 -10.1432 -7.9126 -7.9126 -7.7851 -7.7851 -7.2190 -7.2190 -6.9622 -6.9622 -6.9354 -6.9354 -6.8722 -6.8722 -6.1040 -6.1040 -0.3204 -0.3204 0.6264 0.6264 0.9663 0.9663 3.0427 3.0427 3.1740 3.1740 5.2673 5.2673 7.3478 7.3478 7.7480 7.7480 8.1404 8.1404 k = 0.4728-0.1283 0.3077 ( 4281 PWs) bands (ev): -23.0971 -23.0971 -23.0783 -23.0783 -10.1407 -10.1407 -7.9067 -7.9067 -7.7887 -7.7887 -7.2133 -7.2133 -6.9673 -6.9673 -6.9384 -6.9384 -6.8744 -6.8744 -6.1091 -6.1091 -0.3160 -0.3160 0.6351 0.6351 0.9637 0.9637 3.0393 3.0393 3.1682 3.1682 5.2558 5.2558 7.3762 7.3762 7.7222 7.7222 8.1212 8.1212 k = 0.4767-0.1114 0.3009 ( 4289 PWs) bands (ev): -23.0973 -23.0973 -23.0780 -23.0780 -10.1384 -10.1384 -7.9011 -7.9011 -7.7922 -7.7922 -7.2079 -7.2079 -6.9728 -6.9728 -6.9406 -6.9406 -6.8764 -6.8764 -6.1137 -6.1137 -0.3122 -0.3122 0.6429 0.6429 0.9613 0.9613 3.0362 3.0362 3.1631 3.1631 5.2463 5.2463 7.4022 7.4022 7.6984 7.6984 8.1042 8.1042 k = 0.4806-0.0945 0.2941 ( 4298 PWs) bands (ev): -23.0976 -23.0976 -23.0779 -23.0779 -10.1364 -10.1364 -7.8959 -7.8959 -7.7955 -7.7955 -7.2030 -7.2030 -6.9781 -6.9781 -6.9423 -6.9423 -6.8781 -6.8781 -6.1175 -6.1175 -0.3089 -0.3089 0.6495 0.6495 0.9593 0.9593 3.0334 3.0334 3.1587 3.1587 5.2385 5.2385 7.4254 7.4254 7.6770 7.6770 8.0896 8.0896 k = 0.4845-0.0776 0.2873 ( 4296 PWs) bands (ev): -23.0977 -23.0977 -23.0777 -23.0777 -10.1348 -10.1348 -7.8913 -7.8913 -7.7984 -7.7984 -7.1986 -7.1986 -6.9830 -6.9830 -6.9436 -6.9436 -6.8795 -6.8795 -6.1207 -6.1207 -0.3061 -0.3061 0.6551 0.6551 0.9577 0.9577 3.0310 3.0310 3.1550 3.1550 5.2324 5.2324 7.4454 7.4454 7.6585 7.6585 8.0775 8.0775 k = 0.4884-0.0607 0.2805 ( 4291 PWs) bands (ev): -23.0979 -23.0979 -23.0776 -23.0776 -10.1335 -10.1335 -7.8875 -7.8875 -7.8010 -7.8010 -7.1950 -7.1950 -6.9872 -6.9872 -6.9445 -6.9445 -6.8806 -6.8806 -6.1231 -6.1231 -0.3039 -0.3039 0.6594 0.6594 0.9563 0.9563 3.0291 3.0291 3.1521 3.1521 5.2277 5.2277 7.4617 7.4617 7.6433 7.6433 8.0680 8.0680 k = 0.4922-0.0439 0.2737 ( 4286 PWs) bands (ev): -23.0980 -23.0980 -23.0775 -23.0775 -10.1325 -10.1325 -7.8846 -7.8846 -7.8029 -7.8029 -7.1923 -7.1923 -6.9904 -6.9904 -6.9452 -6.9452 -6.8814 -6.8814 -6.1249 -6.1249 -0.3023 -0.3023 0.6626 0.6626 0.9554 0.9554 3.0277 3.0277 3.1500 3.1500 5.2245 5.2245 7.4739 7.4739 7.6319 7.6319 8.0612 8.0612 k = 0.4961-0.0270 0.2669 ( 4282 PWs) bands (ev): -23.0981 -23.0981 -23.0774 -23.0774 -10.1320 -10.1320 -7.8827 -7.8827 -7.8042 -7.8042 -7.1906 -7.1906 -6.9924 -6.9924 -6.9455 -6.9455 -6.8818 -6.8818 -6.1260 -6.1260 -0.3014 -0.3014 0.6645 0.6645 0.9548 0.9548 3.0269 3.0269 3.1488 3.1488 5.2226 5.2226 7.4816 7.4816 7.6247 7.6247 8.0571 8.0571 k = 0.5000-0.0101 0.2601 ( 4290 PWs) bands (ev): -23.0981 -23.0981 -23.0774 -23.0774 -10.1318 -10.1318 -7.8821 -7.8821 -7.8046 -7.8046 -7.1900 -7.1900 -6.9931 -6.9931 -6.9456 -6.9456 -6.8820 -6.8820 -6.1263 -6.1263 -0.3011 -0.3011 0.6651 0.6651 0.9546 0.9546 3.0266 3.0266 3.1484 3.1484 5.2220 5.2220 7.4842 7.4842 7.6223 7.6223 8.0557 8.0557 k = 0.5000-0.0101 0.2601 ( 4290 PWs) bands (ev): -23.0981 -23.0981 -23.0774 -23.0774 -10.1318 -10.1318 -7.8821 -7.8821 -7.8046 -7.8046 -7.1900 -7.1900 -6.9931 -6.9931 -6.9456 -6.9456 -6.8820 -6.8820 -6.1263 -6.1263 -0.3011 -0.3011 0.6651 0.6651 0.9546 0.9546 3.0266 3.0266 3.1484 3.1484 5.2220 5.2220 7.4842 7.4842 7.6223 7.6223 8.0557 8.0557 k = 0.4922-0.0021 0.2755 ( 4282 PWs) bands (ev): -23.0981 -23.0981 -23.0774 -23.0774 -10.1319 -10.1319 -7.8821 -7.8821 -7.8047 -7.8047 -7.1899 -7.1899 -6.9932 -6.9932 -6.9456 -6.9456 -6.8819 -6.8819 -6.1266 -6.1266 -0.3010 -0.3010 0.6658 0.6658 0.9540 0.9540 3.0264 3.0264 3.1474 3.1474 5.2227 5.2227 7.4870 7.4870 7.6229 7.6229 8.0571 8.0571 k = 0.4844 0.0058 0.2908 ( 4284 PWs) bands (ev): -23.0980 -23.0980 -23.0774 -23.0774 -10.1322 -10.1322 -7.8820 -7.8820 -7.8048 -7.8048 -7.1895 -7.1895 -6.9935 -6.9935 -6.9454 -6.9454 -6.8817 -6.8817 -6.1272 -6.1272 -0.3007 -0.3007 0.6679 0.6679 0.9520 0.9520 3.0259 3.0259 3.1446 3.1446 5.2248 5.2248 7.4955 7.4955 7.6250 7.6250 8.0613 8.0613 k = 0.4766 0.0138 0.3061 ( 4284 PWs) bands (ev): -23.0980 -23.0980 -23.0774 -23.0774 -10.1328 -10.1328 -7.8819 -7.8819 -7.8051 -7.8051 -7.1889 -7.1889 -6.9940 -6.9940 -6.9452 -6.9452 -6.8813 -6.8813 -6.1284 -6.1284 -0.3003 -0.3003 0.6715 0.6715 0.9488 0.9488 3.0250 3.0250 3.1399 3.1399 5.2282 5.2282 7.5096 7.5096 7.6282 7.6282 8.0683 8.0683 k = 0.4688 0.0218 0.3214 ( 4280 PWs) bands (ev): -23.0980 -23.0980 -23.0773 -23.0773 -10.1336 -10.1336 -7.8818 -7.8818 -7.8054 -7.8054 -7.1881 -7.1881 -6.9948 -6.9948 -6.9449 -6.9449 -6.8806 -6.8806 -6.1299 -6.1299 -0.2997 -0.2997 0.6763 0.6763 0.9443 0.9443 3.0238 3.0238 3.1334 3.1334 5.2329 5.2329 7.5292 7.5292 7.6325 7.6325 8.0781 8.0781 k = 0.4609 0.0298 0.3368 ( 4280 PWs) bands (ev): -23.0979 -23.0979 -23.0773 -23.0773 -10.1346 -10.1346 -7.8817 -7.8817 -7.8057 -7.8057 -7.1870 -7.1870 -6.9957 -6.9957 -6.9447 -6.9447 -6.8798 -6.8798 -6.1319 -6.1319 -0.2990 -0.2990 0.6825 0.6825 0.9386 0.9386 3.0221 3.0221 3.1253 3.1253 5.2389 5.2389 7.5541 7.5541 7.6376 7.6376 8.0906 8.0906 k = 0.4531 0.0377 0.3521 ( 4276 PWs) bands (ev): -23.0978 -23.0978 -23.0772 -23.0772 -10.1358 -10.1358 -7.8816 -7.8816 -7.8061 -7.8061 -7.1857 -7.1857 -6.9967 -6.9967 -6.9444 -6.9444 -6.8788 -6.8788 -6.1343 -6.1343 -0.2981 -0.2981 0.6900 0.6900 0.9319 0.9319 3.0201 3.0201 3.1157 3.1157 5.2460 5.2460 7.5841 7.5841 7.6432 7.6432 8.1058 8.1058 k = 0.4453 0.0457 0.3674 ( 4274 PWs) bands (ev): -23.0978 -23.0978 -23.0772 -23.0772 -10.1372 -10.1372 -7.8816 -7.8816 -7.8064 -7.8064 -7.1843 -7.1843 -6.9979 -6.9979 -6.9443 -6.9443 -6.8775 -6.8775 -6.1370 -6.1370 -0.2971 -0.2971 0.6986 0.6986 0.9242 0.9242 3.0176 3.0176 3.1049 3.1049 5.2542 5.2542 7.6186 7.6186 7.6493 7.6493 8.1236 8.1236 k = 0.4375 0.0537 0.3827 ( 4270 PWs) bands (ev): -23.0977 -23.0977 -23.0771 -23.0771 -10.1388 -10.1388 -7.8817 -7.8817 -7.8066 -7.8066 -7.1827 -7.1827 -6.9992 -6.9992 -6.9442 -6.9442 -6.8760 -6.8760 -6.1402 -6.1402 -0.2959 -0.2959 0.7083 0.7083 0.9155 0.9155 3.0147 3.0147 3.0929 3.0929 5.2633 5.2633 7.6514 7.6514 7.6615 7.6615 8.1441 8.1441 k = 0.4297 0.0616 0.3981 ( 4272 PWs) bands (ev): -23.0976 -23.0976 -23.0771 -23.0771 -10.1406 -10.1406 -7.8818 -7.8818 -7.8067 -7.8067 -7.1810 -7.1810 -7.0006 -7.0006 -6.9441 -6.9441 -6.8742 -6.8742 -6.1437 -6.1437 -0.2946 -0.2946 0.7189 0.7189 0.9061 0.9061 3.0111 3.0111 3.0802 3.0802 5.2733 5.2733 7.6587 7.6587 7.7027 7.7027 8.1671 8.1671 k = 0.4219 0.0696 0.4134 ( 4266 PWs) bands (ev): -23.0975 -23.0975 -23.0770 -23.0770 -10.1425 -10.1425 -7.8822 -7.8822 -7.8066 -7.8066 -7.1791 -7.1791 -7.0021 -7.0021 -6.9441 -6.9441 -6.8723 -6.8723 -6.1475 -6.1475 -0.2932 -0.2932 0.7304 0.7304 0.8961 0.8961 3.0069 3.0069 3.0670 3.0670 5.2840 5.2840 7.6633 7.6633 7.7496 7.7496 8.1926 8.1926 k = 0.4141 0.0776 0.4287 ( 4262 PWs) bands (ev): -23.0974 -23.0974 -23.0769 -23.0769 -10.1445 -10.1445 -7.8826 -7.8826 -7.8064 -7.8064 -7.1772 -7.1772 -7.0038 -7.0038 -6.9441 -6.9441 -6.8701 -6.8701 -6.1516 -6.1516 -0.2917 -0.2917 0.7426 0.7426 0.8855 0.8855 3.0017 3.0017 3.0538 3.0538 5.2953 5.2953 7.6667 7.6667 7.7997 7.7997 8.2205 8.2205 k = 0.4062 0.0856 0.4440 ( 4260 PWs) bands (ev): -23.0972 -23.0972 -23.0768 -23.0768 -10.1467 -10.1467 -7.8833 -7.8833 -7.8058 -7.8058 -7.1753 -7.1753 -7.0056 -7.0056 -6.9440 -6.9440 -6.8678 -6.8678 -6.1560 -6.1560 -0.2901 -0.2901 0.7554 0.7554 0.8746 0.8746 2.9952 2.9952 3.0412 3.0412 5.3071 5.3071 7.6691 7.6691 7.8522 7.8522 8.2507 8.2507 k = 0.3984 0.0935 0.4594 ( 4264 PWs) bands (ev): -23.0971 -23.0971 -23.0767 -23.0767 -10.1489 -10.1489 -7.8841 -7.8841 -7.8051 -7.8051 -7.1733 -7.1733 -7.0076 -7.0076 -6.9438 -6.9438 -6.8655 -6.8655 -6.1606 -6.1606 -0.2884 -0.2884 0.7684 0.7684 0.8637 0.8637 2.9868 2.9868 3.0299 3.0299 5.3192 5.3192 7.6705 7.6705 7.9065 7.9065 8.2831 8.2831 k = 0.3906 0.1015 0.4747 ( 4262 PWs) bands (ev): -23.0970 -23.0970 -23.0766 -23.0766 -10.1512 -10.1512 -7.8852 -7.8852 -7.8041 -7.8041 -7.1713 -7.1713 -7.0098 -7.0098 -6.9434 -6.9434 -6.8630 -6.8630 -6.1653 -6.1653 -0.2867 -0.2867 0.7813 0.7813 0.8530 0.8530 2.9764 2.9764 3.0203 3.0203 5.3317 5.3317 7.6710 7.6710 7.9616 7.9616 8.3175 8.3175 k = 0.3828 0.1095 0.4900 ( 4268 PWs) bands (ev): -23.0969 -23.0969 -23.0765 -23.0765 -10.1536 -10.1536 -7.8863 -7.8863 -7.8029 -7.8029 -7.1693 -7.1693 -7.0122 -7.0122 -6.9429 -6.9429 -6.8605 -6.8605 -6.1702 -6.1702 -0.2849 -0.2849 0.7931 0.7931 0.8435 0.8435 2.9642 2.9642 3.0124 3.0124 5.3443 5.3443 7.6709 7.6709 8.0166 8.0166 8.3537 8.3537 k = 0.3750 0.1174 0.5053 ( 4268 PWs) bands (ev): -23.0967 -23.0967 -23.0764 -23.0764 -10.1560 -10.1560 -7.8877 -7.8877 -7.8014 -7.8014 -7.1673 -7.1673 -7.0147 -7.0147 -6.9421 -6.9421 -6.8581 -6.8581 -6.1752 -6.1752 -0.2831 -0.2831 0.8014 0.8014 0.8378 0.8378 2.9507 2.9507 3.0058 3.0058 5.3569 5.3569 7.6705 7.6705 8.0707 8.0707 8.3912 8.3912 k = 0.3672 0.1254 0.5207 ( 4264 PWs) bands (ev): -23.0966 -23.0966 -23.0764 -23.0764 -10.1583 -10.1583 -7.8891 -7.8891 -7.7998 -7.7998 -7.1654 -7.1654 -7.0174 -7.0174 -6.9410 -6.9410 -6.8557 -6.8557 -6.1802 -6.1802 -0.2812 -0.2812 0.8015 0.8015 0.8403 0.8403 2.9365 2.9365 3.0001 3.0001 5.3694 5.3694 7.6702 7.6702 8.1231 8.1231 8.4295 8.4295 k = 0.3594 0.1334 0.5360 ( 4266 PWs) bands (ev): -23.0965 -23.0965 -23.0763 -23.0763 -10.1607 -10.1607 -7.8906 -7.8906 -7.7980 -7.7980 -7.1635 -7.1635 -7.0203 -7.0203 -6.9398 -6.9398 -6.8534 -6.8534 -6.1853 -6.1853 -0.2794 -0.2794 0.7947 0.7947 0.8499 0.8499 2.9223 2.9223 2.9950 2.9950 5.3818 5.3818 7.6704 7.6704 8.1731 8.1731 8.4675 8.4675 k = 0.3516 0.1414 0.5513 ( 4270 PWs) bands (ev): -23.0963 -23.0963 -23.0762 -23.0762 -10.1630 -10.1630 -7.8922 -7.8922 -7.7960 -7.7960 -7.1617 -7.1617 -7.0233 -7.0233 -6.9383 -6.9383 -6.8512 -6.8512 -6.1903 -6.1903 -0.2776 -0.2776 0.7855 0.7855 0.8619 0.8619 2.9082 2.9082 2.9902 2.9902 5.3939 5.3939 7.6715 7.6715 8.2203 8.2203 8.4974 8.4974 k = 0.3438 0.1493 0.5667 ( 4264 PWs) bands (ev): -23.0962 -23.0962 -23.0761 -23.0761 -10.1653 -10.1653 -7.8938 -7.8938 -7.7940 -7.7940 -7.1599 -7.1599 -7.0263 -7.0263 -6.9366 -6.9366 -6.8492 -6.8492 -6.1952 -6.1952 -0.2759 -0.2759 0.7757 0.7757 0.8745 0.8745 2.8946 2.8946 2.9858 2.9858 5.4056 5.4056 7.6739 7.6739 8.2645 8.2645 8.4681 8.4681 k = 0.3359 0.1573 0.5820 ( 4264 PWs) bands (ev): -23.0961 -23.0961 -23.0760 -23.0760 -10.1674 -10.1674 -7.8954 -7.8954 -7.7920 -7.7920 -7.1583 -7.1583 -7.0294 -7.0294 -6.9348 -6.9348 -6.8473 -6.8473 -6.1999 -6.1999 -0.2742 -0.2742 0.7660 0.7660 0.8869 0.8869 2.8816 2.8816 2.9817 2.9817 5.4168 5.4168 7.6779 7.6779 8.3055 8.3055 8.4310 8.4310 k = 0.3281 0.1653 0.5973 ( 4262 PWs) bands (ev): -23.0960 -23.0960 -23.0759 -23.0759 -10.1695 -10.1695 -7.8970 -7.8970 -7.7900 -7.7900 -7.1567 -7.1567 -7.0324 -7.0324 -6.9328 -6.9328 -6.8456 -6.8456 -6.2044 -6.2044 -0.2725 -0.2725 0.7568 0.7568 0.8989 0.8989 2.8694 2.8694 2.9779 2.9779 5.4274 5.4274 7.6837 7.6837 8.3426 8.3426 8.3919 8.3919 k = 0.3203 0.1733 0.6126 ( 4262 PWs) bands (ev): -23.0959 -23.0959 -23.0758 -23.0758 -10.1714 -10.1714 -7.8985 -7.8985 -7.7880 -7.7880 -7.1552 -7.1552 -7.0354 -7.0354 -6.9308 -6.9308 -6.8441 -6.8441 -6.2087 -6.2087 -0.2710 -0.2710 0.7480 0.7480 0.9102 0.9102 2.8580 2.8580 2.9743 2.9743 5.4374 5.4374 7.6917 7.6917 8.3451 8.3451 8.3830 8.3830 k = 0.3125 0.1812 0.6280 ( 4266 PWs) bands (ev): -23.0958 -23.0958 -23.0758 -23.0758 -10.1732 -10.1732 -7.8999 -7.8999 -7.7861 -7.7861 -7.1539 -7.1539 -7.0382 -7.0382 -6.9288 -6.9288 -6.8428 -6.8428 -6.2127 -6.2127 -0.2696 -0.2696 0.7400 0.7400 0.9207 0.9207 2.8477 2.8477 2.9710 2.9710 5.4465 5.4465 7.7019 7.7019 8.3035 8.3035 8.4144 8.4144 k = 0.3047 0.1892 0.6433 ( 4264 PWs) bands (ev): -23.0957 -23.0957 -23.0757 -23.0757 -10.1748 -10.1748 -7.9011 -7.9011 -7.7843 -7.7843 -7.1527 -7.1527 -7.0408 -7.0408 -6.9269 -6.9269 -6.8417 -6.8417 -6.2163 -6.2163 -0.2683 -0.2683 0.7327 0.7327 0.9302 0.9302 2.8384 2.8384 2.9681 2.9681 5.4548 5.4548 7.7144 7.7144 8.2600 8.2600 8.4449 8.4449 k = 0.2969 0.1972 0.6586 ( 4264 PWs) bands (ev): -23.0956 -23.0956 -23.0756 -23.0756 -10.1762 -10.1762 -7.9023 -7.9023 -7.7827 -7.7827 -7.1516 -7.1516 -7.0432 -7.0432 -6.9250 -6.9250 -6.8407 -6.8407 -6.2196 -6.2196 -0.2671 -0.2671 0.7263 0.7263 0.9386 0.9386 2.8302 2.8302 2.9655 2.9655 5.4622 5.4622 7.7291 7.7291 8.2168 8.2168 8.4733 8.4733 k = 0.2891 0.2051 0.6739 ( 4268 PWs) bands (ev): -23.0955 -23.0955 -23.0756 -23.0756 -10.1775 -10.1775 -7.9033 -7.9033 -7.7813 -7.7813 -7.1506 -7.1506 -7.0453 -7.0453 -6.9234 -6.9234 -6.8400 -6.8400 -6.2224 -6.2224 -0.2661 -0.2661 0.7208 0.7208 0.9459 0.9459 2.8232 2.8232 2.9632 2.9632 5.4685 5.4685 7.7456 7.7456 8.1749 8.1749 8.4995 8.4995 k = 0.2812 0.2131 0.6893 ( 4270 PWs) bands (ev): -23.0955 -23.0955 -23.0756 -23.0756 -10.1785 -10.1785 -7.9041 -7.9041 -7.7801 -7.7801 -7.1498 -7.1498 -7.0471 -7.0471 -6.9219 -6.9219 -6.8394 -6.8394 -6.2248 -6.2248 -0.2652 -0.2652 0.7162 0.7162 0.9520 0.9520 2.8174 2.8174 2.9614 2.9614 5.4738 5.4738 7.7635 7.7635 8.1356 8.1356 8.5232 8.5232 k = 0.2734 0.2211 0.7046 ( 4260 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1793 -10.1793 -7.9048 -7.9048 -7.7792 -7.7792 -7.1492 -7.1492 -7.0486 -7.0486 -6.9207 -6.9207 -6.8389 -6.8389 -6.2266 -6.2266 -0.2646 -0.2646 0.7126 0.7126 0.9568 0.9568 2.8129 2.8129 2.9599 2.9599 5.4780 5.4780 7.7817 7.7817 8.1003 8.1003 8.5438 8.5438 k = 0.2656 0.2291 0.7199 ( 4262 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1799 -10.1799 -7.9053 -7.9053 -7.7785 -7.7785 -7.1487 -7.1487 -7.0496 -7.0496 -6.9198 -6.9198 -6.8386 -6.8386 -6.2280 -6.2280 -0.2641 -0.2641 0.7100 0.7100 0.9602 0.9602 2.8097 2.8097 2.9588 2.9588 5.4810 5.4810 7.7983 7.7983 8.0711 8.0711 8.5605 8.5605 k = 0.2578 0.2370 0.7352 ( 4260 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1802 -10.1802 -7.9056 -7.9056 -7.7780 -7.7780 -7.1484 -7.1484 -7.0502 -7.0502 -6.9193 -6.9193 -6.8385 -6.8385 -6.2288 -6.2288 -0.2638 -0.2638 0.7084 0.7084 0.9623 0.9623 2.8077 2.8077 2.9582 2.9582 5.4828 5.4828 7.8106 7.8106 8.0513 8.0513 8.5717 8.5717 k = 0.2500 0.2450 0.7506 ( 4260 PWs) bands (ev): -23.0954 -23.0954 -23.0755 -23.0755 -10.1804 -10.1804 -7.9057 -7.9057 -7.7779 -7.7779 -7.1483 -7.1483 -7.0505 -7.0505 -6.9191 -6.9191 -6.8384 -6.8384 -6.2291 -6.2291 -0.2637 -0.2637 0.7079 0.7079 0.9630 0.9630 2.8071 2.8071 2.9580 2.9580 5.4834 5.4834 7.8152 7.8152 8.0441 8.0441 8.5757 8.5757 k = 0.2401-0.2450 0.7506 ( 4274 PWs) bands (ev): -23.0920 -23.0920 -23.0796 -23.0796 -10.1971 -10.1971 -7.9262 -7.9262 -7.7901 -7.7901 -7.1938 -7.1938 -7.0256 -7.0256 -6.8833 -6.8833 -6.8174 -6.8174 -6.1330 -6.1330 -0.4014 -0.4014 0.7683 0.7683 0.8308 0.8308 2.9893 2.9893 3.0371 3.0371 5.9504 5.9504 6.8235 6.8235 7.9095 7.9095 8.7985 8.7985 k = 0.2480-0.2531 0.7350 ( 4272 PWs) bands (ev): -23.0916 -23.0916 -23.0802 -23.0802 -10.1973 -10.1973 -7.9289 -7.9289 -7.7899 -7.7899 -7.1997 -7.1997 -7.0226 -7.0226 -6.8785 -6.8785 -6.8195 -6.8195 -6.1210 -6.1210 -0.4018 -0.4018 0.7474 0.7474 0.8420 0.8420 2.9979 2.9979 3.0493 3.0493 5.9391 5.9391 6.8233 6.8233 7.9037 7.9037 8.7452 8.7452 k = 0.2560-0.2612 0.7194 ( 4264 PWs) bands (ev): -23.0913 -23.0913 -23.0807 -23.0807 -10.1974 -10.1974 -7.9323 -7.9323 -7.7889 -7.7889 -7.2060 -7.2060 -7.0188 -7.0188 -6.8739 -6.8739 -6.8218 -6.8218 -6.1094 -6.1094 -0.4024 -0.4024 0.7259 0.7259 0.8538 0.8538 3.0057 3.0057 3.0632 3.0632 5.9276 5.9276 6.8240 6.8240 7.9021 7.9021 8.6891 8.6891 k = 0.2639-0.2693 0.7038 ( 4266 PWs) bands (ev): -23.0910 -23.0910 -23.0812 -23.0812 -10.1974 -10.1974 -7.9362 -7.9362 -7.7872 -7.7872 -7.2127 -7.2127 -7.0143 -7.0143 -6.8695 -6.8695 -6.8241 -6.8241 -6.0982 -6.0982 -0.4032 -0.4032 0.7041 0.7041 0.8658 0.8658 3.0131 3.0131 3.0784 3.0784 5.9160 5.9160 6.8256 6.8256 7.9046 7.9046 8.6318 8.6318 k = 0.2719-0.2774 0.6882 ( 4268 PWs) bands (ev): -23.0907 -23.0907 -23.0817 -23.0817 -10.1972 -10.1972 -7.9405 -7.9405 -7.7848 -7.7848 -7.2196 -7.2196 -7.0093 -7.0093 -6.8654 -6.8654 -6.8264 -6.8264 -6.0873 -6.0873 -0.4042 -0.4042 0.6822 0.6822 0.8780 0.8780 3.0201 3.0201 3.0945 3.0945 5.9044 5.9044 6.8279 6.8279 7.9109 7.9109 8.5745 8.5745 k = 0.2798-0.2855 0.6727 ( 4270 PWs) bands (ev): -23.0904 -23.0904 -23.0822 -23.0822 -10.1969 -10.1969 -7.9451 -7.9451 -7.7818 -7.7818 -7.2267 -7.2267 -7.0038 -7.0038 -6.8616 -6.8616 -6.8287 -6.8287 -6.0769 -6.0769 -0.4053 -0.4053 0.6604 0.6604 0.8902 0.8902 3.0269 3.0269 3.1112 3.1112 5.8928 5.8928 6.8310 6.8310 7.9209 7.9209 8.5178 8.5178 k = 0.2878-0.2936 0.6571 ( 4264 PWs) bands (ev): -23.0901 -23.0901 -23.0826 -23.0826 -10.1965 -10.1965 -7.9498 -7.9498 -7.7783 -7.7783 -7.2339 -7.2339 -6.9980 -6.9980 -6.8583 -6.8583 -6.8309 -6.8309 -6.0669 -6.0669 -0.4065 -0.4065 0.6389 0.6389 0.9024 0.9024 3.0335 3.0335 3.1283 3.1283 5.8813 5.8813 6.8345 6.8345 7.9342 7.9342 8.4624 8.4624 k = 0.2957-0.3017 0.6415 ( 4257 PWs) bands (ev): -23.0899 -23.0899 -23.0831 -23.0831 -10.1960 -10.1960 -7.9547 -7.9547 -7.7745 -7.7745 -7.2410 -7.2410 -6.9919 -6.9919 -6.8557 -6.8557 -6.8326 -6.8326 -6.0574 -6.0574 -0.4078 -0.4078 0.6178 0.6178 0.9145 0.9145 3.0400 3.0400 3.1454 3.1454 5.8699 5.8699 6.8385 6.8385 7.9507 7.9507 8.4089 8.4089 k = 0.3036-0.3098 0.6259 ( 4255 PWs) bands (ev): -23.0897 -23.0897 -23.0835 -23.0835 -10.1955 -10.1955 -7.9596 -7.9596 -7.7705 -7.7705 -7.2480 -7.2480 -6.9857 -6.9857 -6.8541 -6.8541 -6.8337 -6.8337 -6.0485 -6.0485 -0.4091 -0.4091 0.5973 0.5973 0.9263 0.9263 3.0464 3.0464 3.1625 3.1625 5.8588 5.8588 6.8427 6.8427 7.9700 7.9700 8.3578 8.3578 k = 0.3116-0.3179 0.6103 ( 4259 PWs) bands (ev): -23.0895 -23.0895 -23.0839 -23.0839 -10.1949 -10.1949 -7.9643 -7.9643 -7.7662 -7.7662 -7.2549 -7.2549 -6.9794 -6.9794 -6.8540 -6.8540 -6.8337 -6.8337 -6.0401 -6.0401 -0.4104 -0.4104 0.5776 0.5776 0.9377 0.9377 3.0525 3.0525 3.1793 3.1793 5.8480 5.8480 6.8471 6.8471 7.9916 7.9916 8.3094 8.3094 k = 0.3195-0.3260 0.5948 ( 4253 PWs) bands (ev): -23.0893 -23.0893 -23.0843 -23.0843 -10.1944 -10.1944 -7.9690 -7.9690 -7.7619 -7.7619 -7.2614 -7.2614 -6.9731 -6.9731 -6.8551 -6.8551 -6.8327 -6.8327 -6.0323 -6.0323 -0.4118 -0.4118 0.5588 0.5588 0.9487 0.9487 3.0584 3.0584 3.1956 3.1956 5.8376 5.8376 6.8514 6.8514 8.0152 8.0152 8.2641 8.2641 k = 0.3275-0.3341 0.5792 ( 4255 PWs) bands (ev): -23.0891 -23.0891 -23.0846 -23.0846 -10.1938 -10.1938 -7.9734 -7.9734 -7.7577 -7.7577 -7.2677 -7.2677 -6.9667 -6.9667 -6.8573 -6.8573 -6.8311 -6.8311 -6.0251 -6.0251 -0.4131 -0.4131 0.5411 0.5411 0.9591 0.9591 3.0640 3.0640 3.2112 3.2112 5.8277 5.8277 6.8557 6.8557 8.0402 8.0402 8.2222 8.2222 k = 0.3354-0.3422 0.5636 ( 4249 PWs) bands (ev): -23.0890 -23.0890 -23.0849 -23.0849 -10.1932 -10.1932 -7.9775 -7.9775 -7.7535 -7.7535 -7.2736 -7.2736 -6.9605 -6.9605 -6.8601 -6.8601 -6.8292 -6.8292 -6.0185 -6.0185 -0.4144 -0.4144 0.5246 0.5246 0.9688 0.9688 3.0693 3.0693 3.2259 3.2259 5.8184 5.8184 6.8597 6.8597 8.0659 8.0659 8.1840 8.1840 k = 0.3433-0.3504 0.5480 ( 4253 PWs) bands (ev): -23.0888 -23.0888 -23.0852 -23.0852 -10.1926 -10.1926 -7.9813 -7.9813 -7.7495 -7.7495 -7.2791 -7.2791 -6.9543 -6.9543 -6.8634 -6.8634 -6.8272 -6.8272 -6.0126 -6.0126 -0.4156 -0.4156 0.5095 0.5095 0.9778 0.9778 3.0742 3.0742 3.2397 3.2397 5.8098 5.8098 6.8633 6.8633 8.0912 8.0912 8.1503 8.1503 k = 0.3513-0.3585 0.5324 ( 4261 PWs) bands (ev): -23.0887 -23.0887 -23.0855 -23.0855 -10.1921 -10.1921 -7.9847 -7.9847 -7.7457 -7.7457 -7.2841 -7.2841 -6.9483 -6.9483 -6.8669 -6.8669 -6.8253 -6.8253 -6.0073 -6.0073 -0.4168 -0.4168 0.4958 0.4958 0.9860 0.9860 3.0786 3.0786 3.2523 3.2523 5.8019 5.8019 6.8666 6.8666 8.1070 8.1070 8.1296 8.1296 k = 0.3592-0.3666 0.5169 ( 4260 PWs) bands (ev): -23.0886 -23.0886 -23.0857 -23.0857 -10.1916 -10.1916 -7.9878 -7.9878 -7.7423 -7.7423 -7.2885 -7.2885 -6.9426 -6.9426 -6.8706 -6.8706 -6.8235 -6.8235 -6.0027 -6.0027 -0.4178 -0.4178 0.4837 0.4837 0.9933 0.9933 3.0826 3.0826 3.2635 3.2635 5.7948 5.7948 6.8694 6.8694 8.0880 8.0880 8.1466 8.1466 k = 0.3672-0.3747 0.5013 ( 4259 PWs) bands (ev): -23.0885 -23.0885 -23.0859 -23.0859 -10.1912 -10.1912 -7.9904 -7.9904 -7.7393 -7.7393 -7.2924 -7.2924 -6.9371 -6.9371 -6.8743 -6.8743 -6.8219 -6.8219 -5.9988 -5.9988 -0.4187 -0.4187 0.4733 0.4733 0.9995 0.9995 3.0860 3.0860 3.2732 3.2732 5.7887 5.7887 6.8718 6.8718 8.0661 8.0661 8.1687 8.1687 k = 0.3751-0.3828 0.4857 ( 4262 PWs) bands (ev): -23.0885 -23.0885 -23.0861 -23.0861 -10.1908 -10.1908 -7.9926 -7.9926 -7.7367 -7.7367 -7.2956 -7.2956 -6.9320 -6.9320 -6.8779 -6.8779 -6.8207 -6.8207 -5.9955 -5.9955 -0.4194 -0.4194 0.4647 0.4647 1.0048 1.0048 3.0889 3.0889 3.2814 3.2814 5.7835 5.7835 6.8738 6.8738 8.0477 8.0477 8.1887 8.1887 k = 0.3831-0.3909 0.4701 ( 4262 PWs) bands (ev): -23.0884 -23.0884 -23.0862 -23.0862 -10.1906 -10.1906 -7.9943 -7.9943 -7.7347 -7.7347 -7.2982 -7.2982 -6.9274 -6.9274 -6.8813 -6.8813 -6.8196 -6.8196 -5.9930 -5.9930 -0.4200 -0.4200 0.4580 0.4580 1.0089 1.0089 3.0911 3.0911 3.2879 3.2879 5.7794 5.7794 6.8753 6.8753 8.0332 8.0332 8.2054 8.2054 k = 0.3910-0.3990 0.4545 ( 4268 PWs) bands (ev): -23.0884 -23.0884 -23.0863 -23.0863 -10.1904 -10.1904 -7.9955 -7.9955 -7.7332 -7.7332 -7.3000 -7.3000 -6.9237 -6.9237 -6.8843 -6.8843 -6.8189 -6.8189 -5.9912 -5.9912 -0.4205 -0.4205 0.4531 0.4531 1.0119 1.0119 3.0928 3.0928 3.2926 3.2926 5.7765 5.7765 6.8763 6.8763 8.0229 8.0229 8.2179 8.2179 k = 0.3989-0.4071 0.4390 ( 4274 PWs) bands (ev): -23.0883 -23.0883 -23.0863 -23.0863 -10.1902 -10.1902 -7.9963 -7.9963 -7.7323 -7.7323 -7.3012 -7.3012 -6.9211 -6.9211 -6.8864 -6.8864 -6.8184 -6.8184 -5.9901 -5.9901 -0.4207 -0.4207 0.4502 0.4502 1.0137 1.0137 3.0938 3.0938 3.2954 3.2954 5.7747 5.7747 6.8769 6.8769 8.0166 8.0166 8.2257 8.2257 k = 0.4069-0.4152 0.4234 ( 4277 PWs) bands (ev): -23.0883 -23.0883 -23.0863 -23.0863 -10.1902 -10.1902 -7.9965 -7.9965 -7.7320 -7.7320 -7.3015 -7.3015 -6.9202 -6.9202 -6.8871 -6.8871 -6.8183 -6.8183 -5.9898 -5.9898 -0.4208 -0.4208 0.4492 0.4492 1.0143 1.0143 3.0941 3.0941 3.2963 3.2963 5.7741 5.7741 6.8771 6.8771 8.0146 8.0146 8.2284 8.2284 k = 0.5931 0.3950 0.0969 ( 4277 PWs) bands (ev): -23.0883 -23.0883 -23.0863 -23.0863 -10.1902 -10.1902 -7.9965 -7.9965 -7.7320 -7.7320 -7.3015 -7.3015 -6.9202 -6.9202 -6.8871 -6.8871 -6.8183 -6.8183 -5.9898 -5.9898 -0.4208 -0.4208 0.4492 0.4492 1.0143 1.0143 3.0941 3.0941 3.2963 3.2963 5.7741 5.7741 6.8771 6.8771 8.0146 8.0146 8.2284 8.2284 k = 0.5828 0.4055 0.0861 ( 4267 PWs) bands (ev): -23.0879 -23.0879 -23.0868 -23.0868 -10.1926 -10.1926 -8.0006 -8.0006 -7.7282 -7.7282 -7.3063 -7.3063 -6.9175 -6.9175 -6.8879 -6.8879 -6.8136 -6.8136 -5.9830 -5.9830 -0.4305 -0.4305 0.4386 0.4386 1.0163 1.0163 3.0977 3.0977 3.3045 3.3045 5.8502 5.8502 6.8499 6.8499 7.9901 7.9901 8.1842 8.1842 k = 0.5724 0.4161 0.0754 ( 4259 PWs) bands (ev): -23.0875 -23.0875 -23.0872 -23.0872 -10.1947 -10.1947 -8.0042 -8.0042 -7.7247 -7.7247 -7.3107 -7.3107 -6.9148 -6.9148 -6.8888 -6.8888 -6.8094 -6.8094 -5.9771 -5.9771 -0.4394 -0.4394 0.4291 0.4291 1.0181 1.0181 3.1011 3.1011 3.3120 3.3120 5.9254 5.9254 6.8235 6.8235 7.9621 7.9621 8.1450 8.1450 k = 0.5621 0.4267 0.0646 ( 4241 PWs) bands (ev): -23.0875 -23.0875 -23.0871 -23.0871 -10.1966 -10.1966 -8.0075 -8.0075 -7.7215 -7.7215 -7.3146 -7.3146 -6.9122 -6.9122 -6.8898 -6.8898 -6.8057 -6.8057 -5.9719 -5.9719 -0.4474 -0.4474 0.4207 0.4207 1.0197 1.0197 3.1042 3.1042 3.3187 3.3187 5.9983 5.9983 6.7979 6.7979 7.9320 7.9320 8.1106 8.1106 k = 0.5517 0.4372 0.0538 ( 4245 PWs) bands (ev): -23.0878 -23.0878 -23.0868 -23.0868 -10.1982 -10.1982 -8.0103 -8.0103 -7.7188 -7.7188 -7.3181 -7.3181 -6.9097 -6.9097 -6.8909 -6.8909 -6.8025 -6.8025 -5.9674 -5.9674 -0.4543 -0.4543 0.4135 0.4135 1.0210 1.0210 3.1069 3.1069 3.3245 3.3245 6.0675 6.0675 6.7732 6.7732 7.9015 7.9015 8.0814 8.0814 k = 0.5414 0.4478 0.0431 ( 4245 PWs) bands (ev): -23.0880 -23.0880 -23.0865 -23.0865 -10.1996 -10.1996 -8.0125 -8.0125 -7.7164 -7.7164 -7.3209 -7.3209 -6.9073 -6.9073 -6.8921 -6.8921 -6.7998 -6.7998 -5.9638 -5.9638 -0.4602 -0.4602 0.4075 0.4075 1.0221 1.0221 3.1092 3.1092 3.3293 3.3293 6.1309 6.1309 6.7498 6.7498 7.8726 7.8726 8.0574 8.0574 k = 0.5310 0.4583 0.0323 ( 4253 PWs) bands (ev): -23.0882 -23.0882 -23.0863 -23.0863 -10.2006 -10.2006 -8.0144 -8.0144 -7.7146 -7.7146 -7.3232 -7.3232 -6.9050 -6.9050 -6.8934 -6.8934 -6.7977 -6.7977 -5.9610 -5.9610 -0.4648 -0.4648 0.4028 0.4028 1.0229 1.0229 3.1111 3.1111 3.3331 3.3331 6.1859 6.1859 6.7283 6.7283 7.8472 7.8472 8.0387 8.0387 k = 0.5207 0.4689 0.0215 ( 4260 PWs) bands (ev): -23.0883 -23.0883 -23.0862 -23.0862 -10.2014 -10.2014 -8.0157 -8.0157 -7.7132 -7.7132 -7.3249 -7.3249 -6.9029 -6.9029 -6.8948 -6.8948 -6.7962 -6.7962 -5.9589 -5.9589 -0.4682 -0.4682 0.3994 0.3994 1.0235 1.0235 3.1125 3.1125 3.3359 3.3359 6.2296 6.2296 6.7101 6.7101 7.8274 7.8274 8.0252 8.0252 k = 0.5103 0.4794 0.0108 ( 4258 PWs) bands (ev): -23.0884 -23.0884 -23.0861 -23.0861 -10.2018 -10.2018 -8.0164 -8.0164 -7.7124 -7.7124 -7.3259 -7.3259 -6.9012 -6.9012 -6.8961 -6.8961 -6.7953 -6.7953 -5.9577 -5.9577 -0.4703 -0.4703 0.3974 0.3974 1.0238 1.0238 3.1133 3.1133 3.3375 3.3375 6.2581 6.2581 6.6976 6.6976 7.8147 7.8147 8.0171 8.0171 k = 0.5000 0.4900-0.0000 ( 4268 PWs) bands (ev): -23.0885 -23.0885 -23.0861 -23.0861 -10.2020 -10.2020 -8.0167 -8.0167 -7.7121 -7.7121 -7.3262 -7.3262 -6.9003 -6.9003 -6.8969 -6.8969 -6.7950 -6.7950 -5.9573 -5.9573 -0.4709 -0.4709 0.3967 0.3967 1.0240 1.0240 3.1136 3.1136 3.3381 3.3381 6.2680 6.2680 6.6931 6.6931 7.8104 7.8104 8.0145 8.0145 Writing output data file RbS.save init_run : 0.28s CPU 0.47s WALL ( 1 calls) electrons : 121.44s CPU 123.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 121.44s CPU 123.23s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 327 calls) cegterg : 109.61s CPU 110.91s WALL ( 489 calls) Called by sum_band: Called by *egterg: h_psi : 71.61s CPU 72.91s WALL ( 7658 calls) s_psi : 3.72s CPU 3.71s WALL ( 7658 calls) g_psi : 0.18s CPU 0.17s WALL ( 6842 calls) cdiaghg : 33.54s CPU 33.43s WALL ( 7169 calls) cegterg:over : 3.22s CPU 3.30s WALL ( 6842 calls) cegterg:upda : 3.20s CPU 3.24s WALL ( 6842 calls) cegterg:last : 1.49s CPU 1.55s WALL ( 1143 calls) cdiaghg:chol : 1.84s CPU 1.87s WALL ( 7169 calls) cdiaghg:inve : 0.94s CPU 0.97s WALL ( 7169 calls) cdiaghg:para : 1.96s CPU 1.90s WALL ( 14338 calls) Called by h_psi: h_psi:vloc : 63.25s CPU 64.37s WALL ( 7658 calls) h_psi:vnl : 8.23s CPU 8.37s WALL ( 7658 calls) add_vuspsi : 4.16s CPU 4.30s WALL ( 7658 calls) General routines calbec : 4.04s CPU 4.05s WALL ( 7658 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 59.30s CPU 60.26s WALL ( 557408 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.19s WALL ( 654 calls) Parallel routines fft_scatter : 20.66s CPU 21.22s WALL ( 557431 calls) PWSCF : 2m13.71s CPU 2m33.27s WALL This run was terminated on: 21:13:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=