Program PWSCF v.5.1.1 starts on 20Jun2016 at 22:20:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MgSiP2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 93 56 15 2978 1414 208 Max 94 57 16 2982 1436 212 Sum 4485 2735 763 143023 68371 10101 bravais-lattice index = 14 lattice parameter (alat) = 12.2360 a.u. unit-cell volume = 1115.8882 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.236040 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.610081 celldm(5)= -0.610081 celldm(6)= 0.220162 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.220162 0.975463 0.000000 ) a(3) = ( -0.610081 -0.487732 0.624435 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.225700 0.800724 ) b(2) = ( 0.000000 1.025154 0.800724 ) b(3) = ( 0.000000 0.000000 1.601448 ) PseudoPot. # 1 for Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) Si 4.00 28.08550 Si( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( -0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.3122174 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 279 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0000000 0.0000000 0.0205314), wk = 0.0035842 k( 3) = ( 0.0000000 0.0000000 0.0410628), wk = 0.0035842 k( 4) = ( 0.0000000 0.0000000 0.0615942), wk = 0.0035842 k( 5) = ( 0.0000000 0.0000000 0.0821256), wk = 0.0035842 k( 6) = ( 0.0000000 0.0000000 0.1026569), wk = 0.0035842 k( 7) = ( 0.0000000 0.0000000 0.1231883), wk = 0.0035842 k( 8) = ( 0.0000000 0.0000000 0.1437197), wk = 0.0035842 k( 9) = ( 0.0000000 0.0000000 0.1642511), wk = 0.0035842 k( 10) = ( 0.0000000 0.0000000 0.1847825), wk = 0.0035842 k( 11) = ( 0.0000000 0.0000000 0.2053139), wk = 0.0035842 k( 12) = ( 0.0000000 0.0000000 0.2258453), wk = 0.0035842 k( 13) = ( 0.0000000 0.0000000 0.2463767), wk = 0.0035842 k( 14) = ( 0.0000000 0.0000000 0.2669081), wk = 0.0035842 k( 15) = ( 0.0000000 0.0000000 0.2874394), wk = 0.0035842 k( 16) = ( 0.0000000 0.0000000 0.3079708), wk = 0.0035842 k( 17) = ( 0.0000000 0.0000000 0.3285022), wk = 0.0035842 k( 18) = ( 0.0000000 0.0000000 0.3490336), wk = 0.0035842 k( 19) = ( 0.0000000 0.0000000 0.3695650), wk = 0.0035842 k( 20) = ( 0.0000000 0.0000000 0.3900964), wk = 0.0035842 k( 21) = ( 0.0000000 0.0000000 0.4106278), wk = 0.0035842 k( 22) = ( 0.0000000 0.0000000 0.4311592), wk = 0.0035842 k( 23) = ( 0.0000000 0.0000000 0.4516905), wk = 0.0035842 k( 24) = ( 0.0000000 0.0000000 0.4722219), wk = 0.0035842 k( 25) = ( 0.0000000 0.0000000 0.4927533), wk = 0.0035842 k( 26) = ( 0.0000000 0.0000000 0.5132847), wk = 0.0035842 k( 27) = ( 0.0000000 0.0000000 0.5338161), wk = 0.0035842 k( 28) = ( 0.0000000 0.0000000 0.5543475), wk = 0.0035842 k( 29) = ( 0.0000000 0.0000000 0.5748789), wk = 0.0035842 k( 30) = ( 0.0000000 0.0000000 0.5954103), wk = 0.0035842 k( 31) = ( 0.0000000 0.0000000 0.6159416), wk = 0.0035842 k( 32) = ( 0.0000000 0.0000000 0.6364730), wk = 0.0035842 k( 33) = ( 0.0000000 0.0000000 0.6570044), wk = 0.0035842 k( 34) = ( 0.0000000 0.0000000 0.6775358), wk = 0.0035842 k( 35) = ( 0.0000000 0.0000000 0.6980672), wk = 0.0035842 k( 36) = ( 0.0000000 0.0000000 0.7185986), wk = 0.0035842 k( 37) = ( 0.0000000 0.0000000 0.7391300), wk = 0.0035842 k( 38) = ( 0.0000000 0.0000000 0.7596614), wk = 0.0035842 k( 39) = ( 0.0000000 0.0000000 0.7801928), wk = 0.0035842 k( 40) = ( 0.0000000 0.0000000 0.8007241), wk = 0.0035842 k( 41) = ( 0.0000000 0.0000000 0.8007241), wk = 0.0035842 k( 42) = ( -0.0122909 0.0153741 0.8007241), wk = 0.0035842 k( 43) = ( -0.0245818 0.0307482 0.8007241), wk = 0.0035842 k( 44) = ( -0.0368727 0.0461223 0.8007241), wk = 0.0035842 k( 45) = ( -0.0491635 0.0614964 0.8007241), wk = 0.0035842 k( 46) = ( -0.0614544 0.0768705 0.8007241), wk = 0.0035842 k( 47) = ( -0.0737453 0.0922446 0.8007241), wk = 0.0035842 k( 48) = ( -0.0860362 0.1076188 0.8007241), wk = 0.0035842 k( 49) = ( -0.0983271 0.1229929 0.8007241), wk = 0.0035842 k( 50) = ( -0.1106180 0.1383670 0.8007241), wk = 0.0035842 k( 51) = ( -0.1229089 0.1537411 0.8007241), wk = 0.0035842 k( 52) = ( -0.1351997 0.1691152 0.8007241), wk = 0.0035842 k( 53) = ( -0.1474906 0.1844893 0.8007241), wk = 0.0035842 k( 54) = ( -0.1597815 0.1998634 0.8007241), wk = 0.0035842 k( 55) = ( -0.1597815 0.1998634 0.8007241), wk = 0.0035842 k( 56) = ( -0.1687346 0.2110624 0.7863862), wk = 0.0035842 k( 57) = ( -0.1776878 0.2222615 0.7720482), wk = 0.0035842 k( 58) = ( -0.1866409 0.2334605 0.7577103), wk = 0.0035842 k( 59) = ( -0.1955940 0.2446596 0.7433723), wk = 0.0035842 k( 60) = ( -0.2045471 0.2558586 0.7290344), wk = 0.0035842 k( 61) = ( -0.2135002 0.2670577 0.7146964), wk = 0.0035842 k( 62) = ( -0.2224533 0.2782567 0.7003584), wk = 0.0035842 k( 63) = ( -0.2314065 0.2894558 0.6860205), wk = 0.0035842 k( 64) = ( -0.2403596 0.3006548 0.6716825), wk = 0.0035842 k( 65) = ( -0.2493127 0.3118539 0.6573446), wk = 0.0035842 k( 66) = ( -0.2582658 0.3230529 0.6430066), wk = 0.0035842 k( 67) = ( -0.2672189 0.3342520 0.6286687), wk = 0.0035842 k( 68) = ( -0.2761721 0.3454510 0.6143307), wk = 0.0035842 k( 69) = ( -0.2851252 0.3566501 0.5999928), wk = 0.0035842 k( 70) = ( -0.2940783 0.3678491 0.5856548), wk = 0.0035842 k( 71) = ( -0.3030314 0.3790481 0.5713168), wk = 0.0035842 k( 72) = ( -0.3119845 0.3902472 0.5569789), wk = 0.0035842 k( 73) = ( -0.3209376 0.4014462 0.5426409), wk = 0.0035842 k( 74) = ( -0.3298908 0.4126453 0.5283030), wk = 0.0035842 k( 75) = ( -0.3298908 0.4126453 0.5283030), wk = 0.0035842 k( 76) = ( -0.3209748 0.4014927 0.5140245), wk = 0.0035842 k( 77) = ( -0.3120588 0.3903401 0.4997461), wk = 0.0035842 k( 78) = ( -0.3031429 0.3791876 0.4854676), wk = 0.0035842 k( 79) = ( -0.2942269 0.3680350 0.4711891), wk = 0.0035842 k( 80) = ( -0.2853109 0.3568824 0.4569107), wk = 0.0035842 k( 81) = ( -0.2763950 0.3457298 0.4426322), wk = 0.0035842 k( 82) = ( -0.2674790 0.3345773 0.4283538), wk = 0.0035842 k( 83) = ( -0.2585630 0.3234247 0.4140753), wk = 0.0035842 k( 84) = ( -0.2496471 0.3122721 0.3997969), wk = 0.0035842 k( 85) = ( -0.2407311 0.3011195 0.3855184), wk = 0.0035842 k( 86) = ( -0.2318151 0.2899670 0.3712399), wk = 0.0035842 k( 87) = ( -0.2228992 0.2788144 0.3569615), wk = 0.0035842 k( 88) = ( -0.2139832 0.2676618 0.3426830), wk = 0.0035842 k( 89) = ( -0.2050672 0.2565092 0.3284046), wk = 0.0035842 k( 90) = ( -0.1961513 0.2453567 0.3141261), wk = 0.0035842 k( 91) = ( -0.1872353 0.2342041 0.2998476), wk = 0.0035842 k( 92) = ( -0.1783193 0.2230515 0.2855692), wk = 0.0035842 k( 93) = ( -0.1694034 0.2118989 0.2712907), wk = 0.0035842 k( 94) = ( -0.1604874 0.2007464 0.2570123), wk = 0.0035842 k( 95) = ( -0.1515714 0.1895938 0.2427338), wk = 0.0035842 k( 96) = ( -0.1426555 0.1784412 0.2284553), wk = 0.0035842 k( 97) = ( -0.1337395 0.1672886 0.2141769), wk = 0.0035842 k( 98) = ( -0.1248235 0.1561361 0.1998984), wk = 0.0035842 k( 99) = ( -0.1159076 0.1449835 0.1856200), wk = 0.0035842 k( 100) = ( -0.1069916 0.1338309 0.1713415), wk = 0.0035842 k( 101) = ( -0.0980756 0.1226783 0.1570630), wk = 0.0035842 k( 102) = ( -0.0891597 0.1115257 0.1427846), wk = 0.0035842 k( 103) = ( -0.0802437 0.1003732 0.1285061), wk = 0.0035842 k( 104) = ( -0.0713277 0.0892206 0.1142277), wk = 0.0035842 k( 105) = ( -0.0624118 0.0780680 0.0999492), wk = 0.0035842 k( 106) = ( -0.0534958 0.0669155 0.0856708), wk = 0.0035842 k( 107) = ( -0.0445798 0.0557629 0.0713923), wk = 0.0035842 k( 108) = ( -0.0356639 0.0446103 0.0571138), wk = 0.0035842 k( 109) = ( -0.0267479 0.0334577 0.0428354), wk = 0.0035842 k( 110) = ( -0.0178319 0.0223051 0.0285569), wk = 0.0035842 k( 111) = ( -0.0089160 0.0111526 0.0142785), wk = 0.0035842 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 114) = ( 0.0156250 0.0124915 0.0000000), wk = 0.0035842 k( 115) = ( 0.0312500 0.0249829 0.0000000), wk = 0.0035842 k( 116) = ( 0.0468750 0.0374744 0.0000000), wk = 0.0035842 k( 117) = ( 0.0625000 0.0499658 0.0000000), wk = 0.0035842 k( 118) = ( 0.0781250 0.0624573 0.0000000), wk = 0.0035842 k( 119) = ( 0.0937500 0.0749488 0.0000000), wk = 0.0035842 k( 120) = ( 0.1093750 0.0874402 0.0000000), wk = 0.0035842 k( 121) = ( 0.1250000 0.0999317 0.0000000), wk = 0.0035842 k( 122) = ( 0.1406250 0.1124232 0.0000000), wk = 0.0035842 k( 123) = ( 0.1562500 0.1249146 0.0000000), wk = 0.0035842 k( 124) = ( 0.1718750 0.1374061 0.0000000), wk = 0.0035842 k( 125) = ( 0.1875000 0.1498975 0.0000000), wk = 0.0035842 k( 126) = ( 0.2031250 0.1623890 0.0000000), wk = 0.0035842 k( 127) = ( 0.2187500 0.1748805 0.0000000), wk = 0.0035842 k( 128) = ( 0.2343750 0.1873719 0.0000000), wk = 0.0035842 k( 129) = ( 0.2500000 0.1998634 0.0000000), wk = 0.0035842 k( 130) = ( 0.2656250 0.2123549 0.0000000), wk = 0.0035842 k( 131) = ( 0.2812500 0.2248463 0.0000000), wk = 0.0035842 k( 132) = ( 0.2968750 0.2373378 0.0000000), wk = 0.0035842 k( 133) = ( 0.3125000 0.2498292 0.0000000), wk = 0.0035842 k( 134) = ( 0.3281250 0.2623207 0.0000000), wk = 0.0035842 k( 135) = ( 0.3437500 0.2748122 0.0000000), wk = 0.0035842 k( 136) = ( 0.3593750 0.2873036 0.0000000), wk = 0.0035842 k( 137) = ( 0.3750000 0.2997951 0.0000000), wk = 0.0035842 k( 138) = ( 0.3906250 0.3122866 0.0000000), wk = 0.0035842 k( 139) = ( 0.4062500 0.3247780 0.0000000), wk = 0.0035842 k( 140) = ( 0.4218750 0.3372695 0.0000000), wk = 0.0035842 k( 141) = ( 0.4375000 0.3497609 0.0000000), wk = 0.0035842 k( 142) = ( 0.4531250 0.3622524 0.0000000), wk = 0.0035842 k( 143) = ( 0.4687500 0.3747439 0.0000000), wk = 0.0035842 k( 144) = ( 0.4843750 0.3872353 0.0000000), wk = 0.0035842 k( 145) = ( 0.5000000 0.3997268 0.0000000), wk = 0.0035842 k( 146) = ( 0.5000000 0.3997268 0.0000000), wk = 0.0035842 k( 147) = ( 0.4910469 0.4109258 0.0143380), wk = 0.0035842 k( 148) = ( 0.4820938 0.4221249 0.0286759), wk = 0.0035842 k( 149) = ( 0.4731406 0.4333239 0.0430139), wk = 0.0035842 k( 150) = ( 0.4641875 0.4445230 0.0573518), wk = 0.0035842 k( 151) = ( 0.4552344 0.4557220 0.0716898), wk = 0.0035842 k( 152) = ( 0.4462813 0.4669211 0.0860277), wk = 0.0035842 k( 153) = ( 0.4373282 0.4781201 0.1003657), wk = 0.0035842 k( 154) = ( 0.4283751 0.4893192 0.1147036), wk = 0.0035842 k( 155) = ( 0.4194219 0.5005182 0.1290416), wk = 0.0035842 k( 156) = ( 0.4104688 0.5117173 0.1433796), wk = 0.0035842 k( 157) = ( 0.4015157 0.5229163 0.1577175), wk = 0.0035842 k( 158) = ( 0.3925626 0.5341154 0.1720555), wk = 0.0035842 k( 159) = ( 0.3836095 0.5453144 0.1863934), wk = 0.0035842 k( 160) = ( 0.3746564 0.5565134 0.2007314), wk = 0.0035842 k( 161) = ( 0.3657032 0.5677125 0.2150693), wk = 0.0035842 k( 162) = ( 0.3567501 0.5789115 0.2294073), wk = 0.0035842 k( 163) = ( 0.3477970 0.5901106 0.2437452), wk = 0.0035842 k( 164) = ( 0.3388439 0.6013096 0.2580832), wk = 0.0035842 k( 165) = ( 0.3298908 0.6125087 0.2724211), wk = 0.0035842 k( 166) = ( 0.3298908 0.6125087 0.2724211), wk = 0.0035842 k( 167) = ( 0.3115635 0.6069569 0.2795290), wk = 0.0035842 k( 168) = ( 0.2932362 0.6014052 0.2866368), wk = 0.0035842 k( 169) = ( 0.2749090 0.5958534 0.2937446), wk = 0.0035842 k( 170) = ( 0.2565817 0.5903016 0.3008525), wk = 0.0035842 k( 171) = ( 0.2382544 0.5847499 0.3079603), wk = 0.0035842 k( 172) = ( 0.2199272 0.5791981 0.3150681), wk = 0.0035842 k( 173) = ( 0.2015999 0.5736464 0.3221760), wk = 0.0035842 k( 174) = ( 0.1832726 0.5680946 0.3292838), wk = 0.0035842 k( 175) = ( 0.1649454 0.5625428 0.3363916), wk = 0.0035842 k( 176) = ( 0.1466181 0.5569911 0.3434994), wk = 0.0035842 k( 177) = ( 0.1282909 0.5514393 0.3506073), wk = 0.0035842 k( 178) = ( 0.1099636 0.5458875 0.3577151), wk = 0.0035842 k( 179) = ( 0.0916363 0.5403358 0.3648229), wk = 0.0035842 k( 180) = ( 0.0733091 0.5347840 0.3719307), wk = 0.0035842 k( 181) = ( 0.0549818 0.5292323 0.3790386), wk = 0.0035842 k( 182) = ( 0.0366545 0.5236805 0.3861464), wk = 0.0035842 k( 183) = ( 0.0183273 0.5181287 0.3932542), wk = 0.0035842 k( 184) = ( 0.0000000 0.5125770 0.4003621), wk = 0.0035842 k( 185) = ( 0.0000000 0.5125770 0.4003621), wk = 0.0035842 k( 186) = ( 0.0089286 0.5014086 0.4146607), wk = 0.0035842 k( 187) = ( 0.0178571 0.4902403 0.4289594), wk = 0.0035842 k( 188) = ( 0.0267857 0.4790720 0.4432580), wk = 0.0035842 k( 189) = ( 0.0357143 0.4679036 0.4575567), wk = 0.0035842 k( 190) = ( 0.0446429 0.4567353 0.4718553), wk = 0.0035842 k( 191) = ( 0.0535714 0.4455669 0.4861539), wk = 0.0035842 k( 192) = ( 0.0625000 0.4343986 0.5004526), wk = 0.0035842 k( 193) = ( 0.0714286 0.4232302 0.5147512), wk = 0.0035842 k( 194) = ( 0.0803571 0.4120619 0.5290499), wk = 0.0035842 k( 195) = ( 0.0892857 0.4008936 0.5433485), wk = 0.0035842 k( 196) = ( 0.0982143 0.3897252 0.5576472), wk = 0.0035842 k( 197) = ( 0.1071429 0.3785569 0.5719458), wk = 0.0035842 k( 198) = ( 0.1160714 0.3673885 0.5862445), wk = 0.0035842 k( 199) = ( 0.1250000 0.3562202 0.6005431), wk = 0.0035842 k( 200) = ( 0.1339286 0.3450519 0.6148417), wk = 0.0035842 k( 201) = ( 0.1428571 0.3338835 0.6291404), wk = 0.0035842 k( 202) = ( 0.1517857 0.3227152 0.6434390), wk = 0.0035842 k( 203) = ( 0.1607143 0.3115468 0.6577377), wk = 0.0035842 k( 204) = ( 0.1696429 0.3003785 0.6720363), wk = 0.0035842 k( 205) = ( 0.1785714 0.2892101 0.6863350), wk = 0.0035842 k( 206) = ( 0.1875000 0.2780418 0.7006336), wk = 0.0035842 k( 207) = ( 0.1964286 0.2668735 0.7149323), wk = 0.0035842 k( 208) = ( 0.2053571 0.2557051 0.7292309), wk = 0.0035842 k( 209) = ( 0.2142857 0.2445368 0.7435295), wk = 0.0035842 k( 210) = ( 0.2232143 0.2333684 0.7578282), wk = 0.0035842 k( 211) = ( 0.2321429 0.2222001 0.7721269), wk = 0.0035842 k( 212) = ( 0.2410714 0.2110317 0.7864255), wk = 0.0035842 k( 213) = ( 0.2500000 0.1998634 0.8007241), wk = 0.0035842 k( 214) = ( 0.2500000 0.1998634 0.8007241), wk = 0.0035842 k( 215) = ( 0.2625000 0.2098566 0.7879300), wk = 0.0035842 k( 216) = ( 0.2750000 0.2198497 0.7751360), wk = 0.0035842 k( 217) = ( 0.2875000 0.2298429 0.7623419), wk = 0.0035842 k( 218) = ( 0.3000000 0.2398361 0.7495478), wk = 0.0035842 k( 219) = ( 0.3125000 0.2498292 0.7367537), wk = 0.0035842 k( 220) = ( 0.3250000 0.2598224 0.7239596), wk = 0.0035842 k( 221) = ( 0.3375000 0.2698156 0.7111655), wk = 0.0035842 k( 222) = ( 0.3500000 0.2798088 0.6983714), wk = 0.0035842 k( 223) = ( 0.3625000 0.2898019 0.6855773), wk = 0.0035842 k( 224) = ( 0.3750000 0.2997951 0.6727832), wk = 0.0035842 k( 225) = ( 0.3875000 0.3097883 0.6599891), wk = 0.0035842 k( 226) = ( 0.4000000 0.3197814 0.6471950), wk = 0.0035842 k( 227) = ( 0.4125000 0.3297746 0.6344010), wk = 0.0035842 k( 228) = ( 0.4250000 0.3397678 0.6216069), wk = 0.0035842 k( 229) = ( 0.4375000 0.3497609 0.6088128), wk = 0.0035842 k( 230) = ( 0.4500000 0.3597541 0.5960187), wk = 0.0035842 k( 231) = ( 0.4625000 0.3697473 0.5832246), wk = 0.0035842 k( 232) = ( 0.4750000 0.3797405 0.5704305), wk = 0.0035842 k( 233) = ( 0.4875000 0.3897336 0.5576364), wk = 0.0035842 k( 234) = ( 0.5000000 0.3997268 0.5448423), wk = 0.0035842 k( 235) = ( 0.5000000 0.3997268 0.5448423), wk = 0.0035842 k( 236) = ( 0.5000000 0.3997268 0.5246630), wk = 0.0035842 k( 237) = ( 0.5000000 0.3997268 0.5044836), wk = 0.0035842 k( 238) = ( 0.5000000 0.3997268 0.4843043), wk = 0.0035842 k( 239) = ( 0.5000000 0.3997268 0.4641249), wk = 0.0035842 k( 240) = ( 0.5000000 0.3997268 0.4439456), wk = 0.0035842 k( 241) = ( 0.5000000 0.3997268 0.4237662), wk = 0.0035842 k( 242) = ( 0.5000000 0.3997268 0.4035869), wk = 0.0035842 k( 243) = ( 0.5000000 0.3997268 0.3834076), wk = 0.0035842 k( 244) = ( 0.5000000 0.3997268 0.3632282), wk = 0.0035842 k( 245) = ( 0.5000000 0.3997268 0.3430489), wk = 0.0035842 k( 246) = ( 0.5000000 0.3997268 0.3228695), wk = 0.0035842 k( 247) = ( 0.5000000 0.3997268 0.3026902), wk = 0.0035842 k( 248) = ( 0.5000000 0.3997268 0.2825108), wk = 0.0035842 k( 249) = ( 0.5000000 0.3997268 0.2623315), wk = 0.0035842 k( 250) = ( 0.5000000 0.3997268 0.2421521), wk = 0.0035842 k( 251) = ( 0.5000000 0.3997268 0.2219728), wk = 0.0035842 k( 252) = ( 0.5000000 0.3997268 0.2017935), wk = 0.0035842 k( 253) = ( 0.5000000 0.3997268 0.1816141), wk = 0.0035842 k( 254) = ( 0.5000000 0.3997268 0.1614348), wk = 0.0035842 k( 255) = ( 0.5000000 0.3997268 0.1412554), wk = 0.0035842 k( 256) = ( 0.5000000 0.3997268 0.1210761), wk = 0.0035842 k( 257) = ( 0.5000000 0.3997268 0.1008967), wk = 0.0035842 k( 258) = ( 0.5000000 0.3997268 0.0807174), wk = 0.0035842 k( 259) = ( 0.5000000 0.3997268 0.0605380), wk = 0.0035842 k( 260) = ( 0.5000000 0.3997268 0.0403587), wk = 0.0035842 k( 261) = ( 0.5000000 0.3997268 0.0201793), wk = 0.0035842 k( 262) = ( 0.5000000 0.3997268 0.0000000), wk = 0.0035842 k( 263) = ( 0.0000000 0.0000000 0.8007241), wk = 0.0035842 k( 264) = ( 0.0156250 0.0124915 0.8007241), wk = 0.0035842 k( 265) = ( 0.0312500 0.0249829 0.8007241), wk = 0.0035842 k( 266) = ( 0.0468750 0.0374744 0.8007241), wk = 0.0035842 k( 267) = ( 0.0625000 0.0499658 0.8007241), wk = 0.0035842 k( 268) = ( 0.0781250 0.0624573 0.8007241), wk = 0.0035842 k( 269) = ( 0.0937500 0.0749488 0.8007241), wk = 0.0035842 k( 270) = ( 0.1093750 0.0874402 0.8007241), wk = 0.0035842 k( 271) = ( 0.1250000 0.0999317 0.8007241), wk = 0.0035842 k( 272) = ( 0.1406250 0.1124232 0.8007241), wk = 0.0035842 k( 273) = ( 0.1562500 0.1249146 0.8007241), wk = 0.0035842 k( 274) = ( 0.1718750 0.1374061 0.8007241), wk = 0.0035842 k( 275) = ( 0.1875000 0.1498975 0.8007241), wk = 0.0035842 k( 276) = ( 0.2031250 0.1623890 0.8007241), wk = 0.0035842 k( 277) = ( 0.2187500 0.1748805 0.8007241), wk = 0.0035842 k( 278) = ( 0.2343750 0.1873719 0.8007241), wk = 0.0035842 k( 279) = ( 0.2500000 0.1998634 0.8007241), wk = 0.0035842 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0035842 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0035842 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0035842 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0035842 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0035842 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0035842 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0035842 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0035842 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0035842 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0035842 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0035842 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0035842 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0035842 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0035842 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0035842 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0035842 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0035842 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0035842 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0035842 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0035842 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0035842 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0035842 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0035842 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0035842 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0035842 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0035842 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0035842 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0035842 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0035842 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0035842 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0035842 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0035842 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0035842 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0035842 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0035842 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0035842 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0035842 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0035842 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 42) = ( -0.0122909 0.0122909 0.5000000), wk = 0.0035842 k( 43) = ( -0.0245818 0.0245818 0.5000000), wk = 0.0035842 k( 44) = ( -0.0368727 0.0368727 0.5000000), wk = 0.0035842 k( 45) = ( -0.0491635 0.0491635 0.5000000), wk = 0.0035842 k( 46) = ( -0.0614544 0.0614544 0.5000000), wk = 0.0035842 k( 47) = ( -0.0737453 0.0737453 0.5000000), wk = 0.0035842 k( 48) = ( -0.0860362 0.0860362 0.5000000), wk = 0.0035842 k( 49) = ( -0.0983271 0.0983271 0.5000000), wk = 0.0035842 k( 50) = ( -0.1106180 0.1106180 0.5000000), wk = 0.0035842 k( 51) = ( -0.1229089 0.1229089 0.5000000), wk = 0.0035842 k( 52) = ( -0.1351997 0.1351997 0.5000000), wk = 0.0035842 k( 53) = ( -0.1474906 0.1474906 0.5000000), wk = 0.0035842 k( 54) = ( -0.1597815 0.1597815 0.5000000), wk = 0.0035842 k( 55) = ( -0.1597815 0.1597815 0.5000000), wk = 0.0035842 k( 56) = ( -0.1687346 0.1687346 0.4910469), wk = 0.0035842 k( 57) = ( -0.1776878 0.1776878 0.4820938), wk = 0.0035842 k( 58) = ( -0.1866409 0.1866409 0.4731406), wk = 0.0035842 k( 59) = ( -0.1955940 0.1955940 0.4641875), wk = 0.0035842 k( 60) = ( -0.2045471 0.2045471 0.4552344), wk = 0.0035842 k( 61) = ( -0.2135002 0.2135002 0.4462813), wk = 0.0035842 k( 62) = ( -0.2224533 0.2224533 0.4373282), wk = 0.0035842 k( 63) = ( -0.2314065 0.2314065 0.4283751), wk = 0.0035842 k( 64) = ( -0.2403596 0.2403596 0.4194219), wk = 0.0035842 k( 65) = ( -0.2493127 0.2493127 0.4104688), wk = 0.0035842 k( 66) = ( -0.2582658 0.2582658 0.4015157), wk = 0.0035842 k( 67) = ( -0.2672189 0.2672189 0.3925626), wk = 0.0035842 k( 68) = ( -0.2761721 0.2761721 0.3836095), wk = 0.0035842 k( 69) = ( -0.2851252 0.2851252 0.3746564), wk = 0.0035842 k( 70) = ( -0.2940783 0.2940783 0.3657032), wk = 0.0035842 k( 71) = ( -0.3030314 0.3030314 0.3567501), wk = 0.0035842 k( 72) = ( -0.3119845 0.3119845 0.3477970), wk = 0.0035842 k( 73) = ( -0.3209376 0.3209376 0.3388439), wk = 0.0035842 k( 74) = ( -0.3298908 0.3298908 0.3298908), wk = 0.0035842 k( 75) = ( -0.3298908 0.3298908 0.3298908), wk = 0.0035842 k( 76) = ( -0.3209748 0.3209748 0.3209748), wk = 0.0035842 k( 77) = ( -0.3120588 0.3120588 0.3120588), wk = 0.0035842 k( 78) = ( -0.3031429 0.3031429 0.3031429), wk = 0.0035842 k( 79) = ( -0.2942269 0.2942269 0.2942269), wk = 0.0035842 k( 80) = ( -0.2853109 0.2853109 0.2853109), wk = 0.0035842 k( 81) = ( -0.2763950 0.2763950 0.2763950), wk = 0.0035842 k( 82) = ( -0.2674790 0.2674790 0.2674790), wk = 0.0035842 k( 83) = ( -0.2585630 0.2585630 0.2585630), wk = 0.0035842 k( 84) = ( -0.2496471 0.2496471 0.2496471), wk = 0.0035842 k( 85) = ( -0.2407311 0.2407311 0.2407311), wk = 0.0035842 k( 86) = ( -0.2318151 0.2318151 0.2318151), wk = 0.0035842 k( 87) = ( -0.2228992 0.2228992 0.2228992), wk = 0.0035842 k( 88) = ( -0.2139832 0.2139832 0.2139832), wk = 0.0035842 k( 89) = ( -0.2050672 0.2050672 0.2050672), wk = 0.0035842 k( 90) = ( -0.1961513 0.1961513 0.1961513), wk = 0.0035842 k( 91) = ( -0.1872353 0.1872353 0.1872353), wk = 0.0035842 k( 92) = ( -0.1783193 0.1783193 0.1783193), wk = 0.0035842 k( 93) = ( -0.1694034 0.1694034 0.1694034), wk = 0.0035842 k( 94) = ( -0.1604874 0.1604874 0.1604874), wk = 0.0035842 k( 95) = ( -0.1515714 0.1515714 0.1515714), wk = 0.0035842 k( 96) = ( -0.1426555 0.1426555 0.1426555), wk = 0.0035842 k( 97) = ( -0.1337395 0.1337395 0.1337395), wk = 0.0035842 k( 98) = ( -0.1248235 0.1248235 0.1248235), wk = 0.0035842 k( 99) = ( -0.1159076 0.1159076 0.1159076), wk = 0.0035842 k( 100) = ( -0.1069916 0.1069916 0.1069916), wk = 0.0035842 k( 101) = ( -0.0980756 0.0980756 0.0980756), wk = 0.0035842 k( 102) = ( -0.0891597 0.0891597 0.0891597), wk = 0.0035842 k( 103) = ( -0.0802437 0.0802437 0.0802437), wk = 0.0035842 k( 104) = ( -0.0713277 0.0713277 0.0713277), wk = 0.0035842 k( 105) = ( -0.0624118 0.0624118 0.0624118), wk = 0.0035842 k( 106) = ( -0.0534958 0.0534958 0.0534958), wk = 0.0035842 k( 107) = ( -0.0445798 0.0445798 0.0445798), wk = 0.0035842 k( 108) = ( -0.0356639 0.0356639 0.0356639), wk = 0.0035842 k( 109) = ( -0.0267479 0.0267479 0.0267479), wk = 0.0035842 k( 110) = ( -0.0178319 0.0178319 0.0178319), wk = 0.0035842 k( 111) = ( -0.0089160 0.0089160 0.0089160), wk = 0.0035842 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 114) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0035842 k( 115) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0035842 k( 116) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0035842 k( 117) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0035842 k( 118) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0035842 k( 119) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0035842 k( 120) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0035842 k( 121) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0035842 k( 122) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0035842 k( 123) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0035842 k( 124) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0035842 k( 125) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0035842 k( 126) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0035842 k( 127) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0035842 k( 128) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0035842 k( 129) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0035842 k( 130) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0035842 k( 131) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0035842 k( 132) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0035842 k( 133) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0035842 k( 134) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0035842 k( 135) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0035842 k( 136) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0035842 k( 137) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0035842 k( 138) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0035842 k( 139) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0035842 k( 140) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0035842 k( 141) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0035842 k( 142) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0035842 k( 143) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0035842 k( 144) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0035842 k( 145) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035842 k( 146) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035842 k( 147) = ( 0.4910469 0.5089531 -0.4910469), wk = 0.0035842 k( 148) = ( 0.4820938 0.5179062 -0.4820938), wk = 0.0035842 k( 149) = ( 0.4731406 0.5268594 -0.4731406), wk = 0.0035842 k( 150) = ( 0.4641875 0.5358125 -0.4641875), wk = 0.0035842 k( 151) = ( 0.4552344 0.5447656 -0.4552344), wk = 0.0035842 k( 152) = ( 0.4462813 0.5537187 -0.4462813), wk = 0.0035842 k( 153) = ( 0.4373282 0.5626718 -0.4373282), wk = 0.0035842 k( 154) = ( 0.4283751 0.5716249 -0.4283751), wk = 0.0035842 k( 155) = ( 0.4194219 0.5805781 -0.4194219), wk = 0.0035842 k( 156) = ( 0.4104688 0.5895312 -0.4104688), wk = 0.0035842 k( 157) = ( 0.4015157 0.5984843 -0.4015157), wk = 0.0035842 k( 158) = ( 0.3925626 0.6074374 -0.3925626), wk = 0.0035842 k( 159) = ( 0.3836095 0.6163905 -0.3836095), wk = 0.0035842 k( 160) = ( 0.3746564 0.6253437 -0.3746563), wk = 0.0035842 k( 161) = ( 0.3657032 0.6342968 -0.3657032), wk = 0.0035842 k( 162) = ( 0.3567501 0.6432499 -0.3567501), wk = 0.0035842 k( 163) = ( 0.3477970 0.6522030 -0.3477970), wk = 0.0035842 k( 164) = ( 0.3388439 0.6611561 -0.3388439), wk = 0.0035842 k( 165) = ( 0.3298908 0.6701092 -0.3298908), wk = 0.0035842 k( 166) = ( 0.3298908 0.6701092 -0.3298908), wk = 0.0035842 k( 167) = ( 0.3115635 0.6606587 -0.3115635), wk = 0.0035842 k( 168) = ( 0.2932362 0.6512082 -0.2932362), wk = 0.0035842 k( 169) = ( 0.2749090 0.6417577 -0.2749090), wk = 0.0035842 k( 170) = ( 0.2565817 0.6323072 -0.2565817), wk = 0.0035842 k( 171) = ( 0.2382544 0.6228567 -0.2382544), wk = 0.0035842 k( 172) = ( 0.2199272 0.6134062 -0.2199272), wk = 0.0035842 k( 173) = ( 0.2015999 0.6039557 -0.2015999), wk = 0.0035842 k( 174) = ( 0.1832726 0.5945051 -0.1832726), wk = 0.0035842 k( 175) = ( 0.1649454 0.5850546 -0.1649454), wk = 0.0035842 k( 176) = ( 0.1466181 0.5756041 -0.1466181), wk = 0.0035842 k( 177) = ( 0.1282909 0.5661536 -0.1282909), wk = 0.0035842 k( 178) = ( 0.1099636 0.5567031 -0.1099636), wk = 0.0035842 k( 179) = ( 0.0916363 0.5472526 -0.0916363), wk = 0.0035842 k( 180) = ( 0.0733091 0.5378021 -0.0733091), wk = 0.0035842 k( 181) = ( 0.0549818 0.5283515 -0.0549818), wk = 0.0035842 k( 182) = ( 0.0366545 0.5189010 -0.0366545), wk = 0.0035842 k( 183) = ( 0.0183273 0.5094505 -0.0183273), wk = 0.0035842 k( 184) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035842 k( 185) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035842 k( 186) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0035842 k( 187) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0035842 k( 188) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0035842 k( 189) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0035842 k( 190) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0035842 k( 191) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0035842 k( 192) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0035842 k( 193) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0035842 k( 194) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0035842 k( 195) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0035842 k( 196) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0035842 k( 197) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0035842 k( 198) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0035842 k( 199) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0035842 k( 200) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0035842 k( 201) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0035842 k( 202) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0035842 k( 203) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0035842 k( 204) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0035842 k( 205) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0035842 k( 206) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0035842 k( 207) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0035842 k( 208) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0035842 k( 209) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0035842 k( 210) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0035842 k( 211) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0035842 k( 212) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0035842 k( 213) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035842 k( 214) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035842 k( 215) = ( 0.2625000 0.2625000 0.2295109), wk = 0.0035842 k( 216) = ( 0.2750000 0.2750000 0.2090219), wk = 0.0035842 k( 217) = ( 0.2875000 0.2875000 0.1885328), wk = 0.0035842 k( 218) = ( 0.3000000 0.3000000 0.1680437), wk = 0.0035842 k( 219) = ( 0.3125000 0.3125000 0.1475546), wk = 0.0035842 k( 220) = ( 0.3250000 0.3250000 0.1270655), wk = 0.0035842 k( 221) = ( 0.3375000 0.3375000 0.1065765), wk = 0.0035842 k( 222) = ( 0.3500000 0.3500000 0.0860874), wk = 0.0035842 k( 223) = ( 0.3625000 0.3625000 0.0655983), wk = 0.0035842 k( 224) = ( 0.3750000 0.3750000 0.0451092), wk = 0.0035842 k( 225) = ( 0.3875000 0.3875000 0.0246202), wk = 0.0035842 k( 226) = ( 0.4000000 0.4000000 0.0041311), wk = 0.0035842 k( 227) = ( 0.4125000 0.4125000 -0.0163580), wk = 0.0035842 k( 228) = ( 0.4250000 0.4250000 -0.0368471), wk = 0.0035842 k( 229) = ( 0.4375000 0.4375000 -0.0573361), wk = 0.0035842 k( 230) = ( 0.4500000 0.4500000 -0.0778252), wk = 0.0035842 k( 231) = ( 0.4625000 0.4625000 -0.0983143), wk = 0.0035842 k( 232) = ( 0.4750000 0.4750000 -0.1188034), wk = 0.0035842 k( 233) = ( 0.4875000 0.4875000 -0.1392924), wk = 0.0035842 k( 234) = ( 0.5000000 0.5000000 -0.1597815), wk = 0.0035842 k( 235) = ( 0.5000000 0.5000000 -0.1597815), wk = 0.0035842 k( 236) = ( 0.5000000 0.5000000 -0.1723822), wk = 0.0035842 k( 237) = ( 0.5000000 0.5000000 -0.1849829), wk = 0.0035842 k( 238) = ( 0.5000000 0.5000000 -0.1975836), wk = 0.0035842 k( 239) = ( 0.5000000 0.5000000 -0.2101842), wk = 0.0035842 k( 240) = ( 0.5000000 0.5000000 -0.2227849), wk = 0.0035842 k( 241) = ( 0.5000000 0.5000000 -0.2353856), wk = 0.0035842 k( 242) = ( 0.5000000 0.5000000 -0.2479863), wk = 0.0035842 k( 243) = ( 0.5000000 0.5000000 -0.2605870), wk = 0.0035842 k( 244) = ( 0.5000000 0.5000000 -0.2731877), wk = 0.0035842 k( 245) = ( 0.5000000 0.5000000 -0.2857884), wk = 0.0035842 k( 246) = ( 0.5000000 0.5000000 -0.2983890), wk = 0.0035842 k( 247) = ( 0.5000000 0.5000000 -0.3109897), wk = 0.0035842 k( 248) = ( 0.5000000 0.5000000 -0.3235904), wk = 0.0035842 k( 249) = ( 0.5000000 0.5000000 -0.3361911), wk = 0.0035842 k( 250) = ( 0.5000000 0.5000000 -0.3487918), wk = 0.0035842 k( 251) = ( 0.5000000 0.5000000 -0.3613925), wk = 0.0035842 k( 252) = ( 0.5000000 0.5000000 -0.3739931), wk = 0.0035842 k( 253) = ( 0.5000000 0.5000000 -0.3865938), wk = 0.0035842 k( 254) = ( 0.5000000 0.5000000 -0.3991945), wk = 0.0035842 k( 255) = ( 0.5000000 0.5000000 -0.4117952), wk = 0.0035842 k( 256) = ( 0.5000000 0.5000000 -0.4243959), wk = 0.0035842 k( 257) = ( 0.5000000 0.5000000 -0.4369966), wk = 0.0035842 k( 258) = ( 0.5000000 0.5000000 -0.4495973), wk = 0.0035842 k( 259) = ( 0.5000000 0.5000000 -0.4621979), wk = 0.0035842 k( 260) = ( 0.5000000 0.5000000 -0.4747986), wk = 0.0035842 k( 261) = ( 0.5000000 0.5000000 -0.4873993), wk = 0.0035842 k( 262) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035842 k( 263) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 264) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0035842 k( 265) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0035842 k( 266) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0035842 k( 267) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0035842 k( 268) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0035842 k( 269) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0035842 k( 270) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0035842 k( 271) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0035842 k( 272) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0035842 k( 273) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0035842 k( 274) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0035842 k( 275) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0035842 k( 276) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0035842 k( 277) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0035842 k( 278) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0035842 k( 279) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035842 Dense grid: 143023 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 68371 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 382, 58) NL pseudopotentials 0.68 Mb ( 191, 232) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.02 Mb ( 2979) G-vector shells 0.01 Mb ( 1392) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.35 Mb ( 382, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.41 Mb ( 232, 2, 58) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./MgSiP2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.7 secs Computing kpt #: 2 total cpu time spent up to now is 52.6 secs Computing kpt #: 3 total cpu time spent up to now is 57.4 secs Computing kpt #: 4 total cpu time spent up to now is 62.3 secs Computing kpt #: 5 total cpu time spent up to now is 66.8 secs Computing kpt #: 6 total cpu time spent up to now is 71.3 secs Computing kpt #: 7 total cpu time spent up to now is 75.9 secs Computing kpt #: 8 total cpu time spent up to now is 80.4 secs Computing kpt #: 9 total cpu time spent up to now is 84.7 secs Computing kpt #: 10 total cpu time spent up to now is 88.9 secs Computing kpt #: 11 total cpu time spent up to now is 92.9 secs Computing kpt #: 12 total cpu time spent up to now is 97.3 secs Computing kpt #: 13 total cpu time spent up to now is 102.0 secs Computing kpt #: 14 total cpu time spent up to now is 106.9 secs Computing kpt #: 15 total cpu time spent up to now is 112.1 secs Computing kpt #: 16 total cpu time spent up to now is 117.7 secs Computing kpt #: 17 total cpu time spent up to now is 122.9 secs Computing kpt #: 18 total cpu time spent up to now is 128.4 secs Computing kpt #: 19 total cpu time spent up to now is 133.5 secs Computing kpt #: 20 total cpu time spent up to now is 138.8 secs Computing kpt #: 21 total cpu time spent up to now is 144.2 secs Computing kpt #: 22 total cpu time spent up to now is 149.4 secs Computing kpt #: 23 total cpu time spent up to now is 154.6 secs Computing kpt #: 24 total cpu time spent up to now is 159.8 secs Computing kpt #: 25 total cpu time spent up to now is 165.0 secs Computing kpt #: 26 total cpu time spent up to now is 170.4 secs Computing kpt #: 27 total cpu time spent up to now is 175.9 secs Computing kpt #: 28 total cpu time spent up to now is 181.1 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.0 secs Computing kpt #: 30 total cpu time spent up to now is 194.0 secs Computing kpt #: 31 total cpu time spent up to now is 199.1 secs Computing kpt #: 32 total cpu time spent up to now is 203.9 secs Computing kpt #: 33 total cpu time spent up to now is 208.5 secs Computing kpt #: 34 total cpu time spent up to now is 213.1 secs Computing kpt #: 35 total cpu time spent up to now is 217.6 secs Computing kpt #: 36 total cpu time spent up to now is 222.9 secs Computing kpt #: 37 total cpu time spent up to now is 227.9 secs Computing kpt #: 38 total cpu time spent up to now is 233.1 secs Computing kpt #: 39 total cpu time spent up to now is 239.3 secs Computing kpt #: 40 total cpu time spent up to now is 247.5 secs Computing kpt #: 41 total cpu time spent up to now is 254.2 secs Computing kpt #: 42 total cpu time spent up to now is 259.5 secs Computing kpt #: 43 total cpu time spent up to now is 266.3 secs Computing kpt #: 44 total cpu time spent up to now is 273.1 secs Computing kpt #: 45 total cpu time spent up to now is 279.9 secs Computing kpt #: 46 total cpu time spent up to now is 287.0 secs Computing kpt #: 47 total cpu time spent up to now is 292.2 secs Computing kpt #: 48 total cpu time spent up to now is 297.6 secs Computing kpt #: 49 total cpu time spent up to now is 303.2 secs Computing kpt #: 50 total cpu time spent up to now is 308.6 secs Computing kpt #: 51 total cpu time spent up to now is 313.9 secs Computing kpt #: 52 total cpu time spent up to now is 319.1 secs Computing kpt #: 53 total cpu time spent up to now is 324.7 secs Computing kpt #: 54 total cpu time spent up to now is 329.8 secs Computing kpt #: 55 total cpu time spent up to now is 335.2 secs Computing kpt #: 56 total cpu time spent up to now is 340.5 secs Computing kpt #: 57 total cpu time spent up to now is 346.3 secs Computing kpt #: 58 total cpu time spent up to now is 351.6 secs Computing kpt #: 59 total cpu time spent up to now is 356.9 secs Computing kpt #: 60 total cpu time spent up to now is 362.4 secs Computing kpt #: 61 total cpu time spent up to now is 367.2 secs Computing kpt #: 62 total cpu time spent up to now is 372.3 secs Computing kpt #: 63 total cpu time spent up to now is 377.2 secs Computing kpt #: 64 total cpu time spent up to now is 382.0 secs Computing kpt #: 65 total cpu time spent up to now is 386.5 secs Computing kpt #: 66 total cpu time spent up to now is 391.0 secs Computing kpt #: 67 total cpu time spent up to now is 395.6 secs Computing kpt #: 68 total cpu time spent up to now is 400.2 secs Computing kpt #: 69 total cpu time spent up to now is 405.1 secs Computing kpt #: 70 total cpu time spent up to now is 409.9 secs Computing kpt #: 71 total cpu time spent up to now is 414.6 secs Computing kpt #: 72 total cpu time spent up to now is 419.3 secs Computing kpt #: 73 total cpu time spent up to now is 423.5 secs Computing kpt #: 74 total cpu time spent up to now is 427.9 secs Computing kpt #: 75 total cpu time spent up to now is 432.2 secs Computing kpt #: 76 total cpu time spent up to now is 436.5 secs Computing kpt #: 77 total cpu time spent up to now is 440.8 secs Computing kpt #: 78 total cpu time spent up to now is 445.9 secs Computing kpt #: 79 total cpu time spent up to now is 451.0 secs Computing kpt #: 80 total cpu time spent up to now is 455.5 secs Computing kpt #: 81 total cpu time spent up to now is 460.2 secs Computing kpt #: 82 total cpu time spent up to now is 464.9 secs Computing kpt #: 83 total cpu time spent up to now is 469.4 secs Computing kpt #: 84 total cpu time spent up to now is 473.8 secs Computing kpt #: 85 total cpu time spent up to now is 478.2 secs Computing kpt #: 86 total cpu time spent up to now is 482.7 secs Computing kpt #: 87 total cpu time spent up to now is 487.5 secs Computing kpt #: 88 total cpu time spent up to now is 492.7 secs Computing kpt #: 89 total cpu time spent up to now is 498.8 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 507.5 secs Computing kpt #: 91 total cpu time spent up to now is 513.5 secs Computing kpt #: 92 total cpu time spent up to now is 518.9 secs Computing kpt #: 93 total cpu time spent up to now is 523.7 secs Computing kpt #: 94 total cpu time spent up to now is 528.5 secs Computing kpt #: 95 total cpu time spent up to now is 533.2 secs Computing kpt #: 96 total cpu time spent up to now is 538.1 secs Computing kpt #: 97 total cpu time spent up to now is 545.0 secs Computing kpt #: 98 total cpu time spent up to now is 549.4 secs Computing kpt #: 99 total cpu time spent up to now is 553.9 secs Computing kpt #: 100 total cpu time spent up to now is 558.3 secs Computing kpt #: 101 total cpu time spent up to now is 562.8 secs Computing kpt #: 102 total cpu time spent up to now is 567.3 secs Computing kpt #: 103 total cpu time spent up to now is 572.0 secs Computing kpt #: 104 total cpu time spent up to now is 576.5 secs Computing kpt #: 105 total cpu time spent up to now is 581.5 secs Computing kpt #: 106 total cpu time spent up to now is 586.3 secs Computing kpt #: 107 total cpu time spent up to now is 591.1 secs Computing kpt #: 108 total cpu time spent up to now is 596.0 secs Computing kpt #: 109 total cpu time spent up to now is 600.9 secs Computing kpt #: 110 total cpu time spent up to now is 605.7 secs Computing kpt #: 111 total cpu time spent up to now is 610.1 secs Computing kpt #: 112 total cpu time spent up to now is 614.3 secs Computing kpt #: 113 total cpu time spent up to now is 618.4 secs Computing kpt #: 114 total cpu time spent up to now is 622.6 secs Computing kpt #: 115 total cpu time spent up to now is 627.4 secs Computing kpt #: 116 total cpu time spent up to now is 632.1 secs Computing kpt #: 117 total cpu time spent up to now is 637.4 secs Computing kpt #: 118 total cpu time spent up to now is 642.3 secs Computing kpt #: 119 total cpu time spent up to now is 647.5 secs Computing kpt #: 120 total cpu time spent up to now is 652.2 secs Computing kpt #: 121 total cpu time spent up to now is 657.3 secs Computing kpt #: 122 total cpu time spent up to now is 662.9 secs Computing kpt #: 123 total cpu time spent up to now is 667.8 secs Computing kpt #: 124 total cpu time spent up to now is 672.6 secs Computing kpt #: 125 total cpu time spent up to now is 677.3 secs Computing kpt #: 126 total cpu time spent up to now is 682.0 secs Computing kpt #: 127 total cpu time spent up to now is 686.3 secs Computing kpt #: 128 total cpu time spent up to now is 690.1 secs Computing kpt #: 129 total cpu time spent up to now is 694.0 secs Computing kpt #: 130 total cpu time spent up to now is 697.9 secs Computing kpt #: 131 total cpu time spent up to now is 702.0 secs Computing kpt #: 132 total cpu time spent up to now is 706.1 secs Computing kpt #: 133 total cpu time spent up to now is 710.0 secs Computing kpt #: 134 total cpu time spent up to now is 714.0 secs Computing kpt #: 135 total cpu time spent up to now is 718.4 secs Computing kpt #: 136 total cpu time spent up to now is 722.7 secs Computing kpt #: 137 total cpu time spent up to now is 726.9 secs Computing kpt #: 138 total cpu time spent up to now is 731.3 secs Computing kpt #: 139 total cpu time spent up to now is 735.6 secs Computing kpt #: 140 total cpu time spent up to now is 739.8 secs Computing kpt #: 141 total cpu time spent up to now is 744.6 secs Computing kpt #: 142 total cpu time spent up to now is 749.1 secs Computing kpt #: 143 total cpu time spent up to now is 754.1 secs Computing kpt #: 144 total cpu time spent up to now is 759.1 secs Computing kpt #: 145 total cpu time spent up to now is 764.0 secs Computing kpt #: 146 total cpu time spent up to now is 769.2 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 777.4 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 785.6 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 794.4 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 802.8 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 811.2 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 819.5 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 827.8 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 836.1 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 845.6 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 854.0 secs Computing kpt #: 157 total cpu time spent up to now is 861.3 secs Computing kpt #: 158 total cpu time spent up to now is 867.4 secs Computing kpt #: 159 total cpu time spent up to now is 873.1 secs Computing kpt #: 160 total cpu time spent up to now is 878.3 secs Computing kpt #: 161 total cpu time spent up to now is 883.4 secs Computing kpt #: 162 total cpu time spent up to now is 888.3 secs Computing kpt #: 163 total cpu time spent up to now is 892.9 secs Computing kpt #: 164 total cpu time spent up to now is 897.6 secs Computing kpt #: 165 total cpu time spent up to now is 901.8 secs Computing kpt #: 166 total cpu time spent up to now is 906.3 secs Computing kpt #: 167 total cpu time spent up to now is 911.5 secs Computing kpt #: 168 total cpu time spent up to now is 916.0 secs Computing kpt #: 169 total cpu time spent up to now is 920.4 secs Computing kpt #: 170 total cpu time spent up to now is 925.8 secs Computing kpt #: 171 total cpu time spent up to now is 931.8 secs Computing kpt #: 172 total cpu time spent up to now is 938.0 secs Computing kpt #: 173 total cpu time spent up to now is 944.2 secs Computing kpt #: 174 total cpu time spent up to now is 949.9 secs Computing kpt #: 175 total cpu time spent up to now is 955.3 secs Computing kpt #: 176 total cpu time spent up to now is 960.6 secs Computing kpt #: 177 total cpu time spent up to now is 966.1 secs Computing kpt #: 178 total cpu time spent up to now is 971.4 secs Computing kpt #: 179 total cpu time spent up to now is 977.7 secs Computing kpt #: 180 total cpu time spent up to now is 983.3 secs Computing kpt #: 181 total cpu time spent up to now is 988.5 secs Computing kpt #: 182 total cpu time spent up to now is 993.9 secs Computing kpt #: 183 total cpu time spent up to now is 999.4 secs Computing kpt #: 184 total cpu time spent up to now is 1004.6 secs Computing kpt #: 185 total cpu time spent up to now is 1010.4 secs Computing kpt #: 186 total cpu time spent up to now is 1015.7 secs Computing kpt #: 187 total cpu time spent up to now is 1020.9 secs Computing kpt #: 188 total cpu time spent up to now is 1026.4 secs Computing kpt #: 189 total cpu time spent up to now is 1032.1 secs Computing kpt #: 190 total cpu time spent up to now is 1037.9 secs Computing kpt #: 191 total cpu time spent up to now is 1044.0 secs Computing kpt #: 192 total cpu time spent up to now is 1052.5 secs Computing kpt #: 193 total cpu time spent up to now is 1058.2 secs Computing kpt #: 194 total cpu time spent up to now is 1064.2 secs Computing kpt #: 195 total cpu time spent up to now is 1069.6 secs Computing kpt #: 196 total cpu time spent up to now is 1075.1 secs Computing kpt #: 197 total cpu time spent up to now is 1080.4 secs Computing kpt #: 198 total cpu time spent up to now is 1086.2 secs Computing kpt #: 199 total cpu time spent up to now is 1091.8 secs Computing kpt #: 200 total cpu time spent up to now is 1097.1 secs Computing kpt #: 201 total cpu time spent up to now is 1102.4 secs Computing kpt #: 202 total cpu time spent up to now is 1107.3 secs Computing kpt #: 203 total cpu time spent up to now is 1111.8 secs Computing kpt #: 204 total cpu time spent up to now is 1116.5 secs Computing kpt #: 205 total cpu time spent up to now is 1121.1 secs Computing kpt #: 206 total cpu time spent up to now is 1125.6 secs Computing kpt #: 207 total cpu time spent up to now is 1130.1 secs Computing kpt #: 208 total cpu time spent up to now is 1134.7 secs Computing kpt #: 209 total cpu time spent up to now is 1140.6 secs Computing kpt #: 210 total cpu time spent up to now is 1145.8 secs Computing kpt #: 211 total cpu time spent up to now is 1150.8 secs Computing kpt #: 212 total cpu time spent up to now is 1156.3 secs Computing kpt #: 213 total cpu time spent up to now is 1162.4 secs Computing kpt #: 214 total cpu time spent up to now is 1168.3 secs Computing kpt #: 215 total cpu time spent up to now is 1175.0 secs Computing kpt #: 216 total cpu time spent up to now is 1180.3 secs Computing kpt #: 217 total cpu time spent up to now is 1185.4 secs Computing kpt #: 218 total cpu time spent up to now is 1190.4 secs Computing kpt #: 219 total cpu time spent up to now is 1196.3 secs Computing kpt #: 220 total cpu time spent up to now is 1201.5 secs Computing kpt #: 221 total cpu time spent up to now is 1206.5 secs Computing kpt #: 222 total cpu time spent up to now is 1211.2 secs Computing kpt #: 223 total cpu time spent up to now is 1216.0 secs Computing kpt #: 224 total cpu time spent up to now is 1221.2 secs Computing kpt #: 225 total cpu time spent up to now is 1226.0 secs Computing kpt #: 226 total cpu time spent up to now is 1231.1 secs Computing kpt #: 227 total cpu time spent up to now is 1235.9 secs Computing kpt #: 228 total cpu time spent up to now is 1240.5 secs Computing kpt #: 229 total cpu time spent up to now is 1245.5 secs Computing kpt #: 230 total cpu time spent up to now is 1250.2 secs Computing kpt #: 231 total cpu time spent up to now is 1255.1 secs Computing kpt #: 232 total cpu time spent up to now is 1260.0 secs Computing kpt #: 233 total cpu time spent up to now is 1265.3 secs Computing kpt #: 234 total cpu time spent up to now is 1271.4 secs Computing kpt #: 235 total cpu time spent up to now is 1276.7 secs Computing kpt #: 236 total cpu time spent up to now is 1281.9 secs Computing kpt #: 237 total cpu time spent up to now is 1287.0 secs Computing kpt #: 238 total cpu time spent up to now is 1294.0 secs Computing kpt #: 239 total cpu time spent up to now is 1299.2 secs Computing kpt #: 240 total cpu time spent up to now is 1304.4 secs Computing kpt #: 241 total cpu time spent up to now is 1309.8 secs Computing kpt #: 242 total cpu time spent up to now is 1315.3 secs Computing kpt #: 243 total cpu time spent up to now is 1322.2 secs Computing kpt #: 244 total cpu time spent up to now is 1330.1 secs Computing kpt #: 245 total cpu time spent up to now is 1335.6 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1343.6 secs Computing kpt #: 247 total cpu time spent up to now is 1349.1 secs Computing kpt #: 248 total cpu time spent up to now is 1354.3 secs Computing kpt #: 249 total cpu time spent up to now is 1361.9 secs Computing kpt #: 250 total cpu time spent up to now is 1369.0 secs Computing kpt #: 251 total cpu time spent up to now is 1374.1 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1382.3 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1390.2 secs Computing kpt #: 254 total cpu time spent up to now is 1396.2 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1404.2 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1412.2 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1420.5 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1428.7 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1436.7 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1447.4 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1455.4 secs Computing kpt #: 262 total cpu time spent up to now is 1460.4 secs Computing kpt #: 263 total cpu time spent up to now is 1467.8 secs Computing kpt #: 264 total cpu time spent up to now is 1474.8 secs Computing kpt #: 265 total cpu time spent up to now is 1480.1 secs Computing kpt #: 266 total cpu time spent up to now is 1485.5 secs Computing kpt #: 267 total cpu time spent up to now is 1492.5 secs Computing kpt #: 268 total cpu time spent up to now is 1500.4 secs Computing kpt #: 269 total cpu time spent up to now is 1505.8 secs Computing kpt #: 270 total cpu time spent up to now is 1511.0 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1519.4 secs Computing kpt #: 272 total cpu time spent up to now is 1524.7 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1532.8 secs Computing kpt #: 274 total cpu time spent up to now is 1538.2 secs Computing kpt #: 275 total cpu time spent up to now is 1544.0 secs Computing kpt #: 276 total cpu time spent up to now is 1549.5 secs Computing kpt #: 277 total cpu time spent up to now is 1556.8 secs Computing kpt #: 278 total cpu time spent up to now is 1564.0 secs Computing kpt #: 279 total cpu time spent up to now is 1569.7 secs ethr = 2.08E-11, avg # of iterations = 54.0 total cpu time spent up to now is 1569.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8483 PWs) bands (ev): -69.5160 -69.5160 -69.5158 -69.5158 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1562 -36.1562 -36.1553 -36.1553 -7.0264 -7.0264 -4.1560 -4.1560 -4.1525 -4.1525 -3.9630 -3.9630 -2.9332 -2.9332 0.4318 0.4318 1.1731 1.1731 1.1761 1.1761 1.5035 1.5035 2.1567 2.1567 2.5600 2.5600 3.5833 3.5833 3.5916 3.5916 4.9923 4.9923 5.0334 5.0334 5.3293 5.3293 6.6201 6.6201 7.7022 7.7022 8.2780 8.2780 9.1650 9.1650 9.1871 9.1871 k = 0.0000 0.0000 0.0205 ( 8487 PWs) bands (ev): -69.5160 -69.5160 -69.5158 -69.5158 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1562 -36.1562 -36.1553 -36.1553 -7.0255 -7.0255 -4.1589 -4.1587 -4.1543 -4.1542 -3.9633 -3.9630 -2.9296 -2.9296 0.4274 0.4288 1.1735 1.1737 1.1764 1.1791 1.5073 1.5082 2.1560 2.1563 2.5613 2.5624 3.5824 3.5836 3.5917 3.5919 4.9871 4.9885 5.0294 5.0295 5.3257 5.3271 6.6244 6.6248 7.7072 7.7079 8.2848 8.2848 9.1577 9.1665 9.1837 9.1847 k = 0.0000 0.0000 0.0411 ( 8501 PWs) bands (ev): -69.5160 -69.5160 -69.5158 -69.5158 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -7.0228 -7.0228 -4.1695 -4.1691 -4.1573 -4.1571 -3.9638 -3.9632 -2.9188 -2.9187 0.4157 0.4184 1.1729 1.1729 1.1827 1.1874 1.5193 1.5209 2.1541 2.1546 2.5662 2.5684 3.5787 3.5813 3.5946 3.5946 4.9695 4.9728 5.0209 5.0215 5.3164 5.3192 6.6373 6.6381 7.7230 7.7244 8.3046 8.3047 9.1460 9.1608 9.1786 9.1819 k = 0.0000 0.0000 0.0616 ( 8507 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -7.0183 -7.0182 -4.1872 -4.1866 -4.1614 -4.1612 -3.9647 -3.9640 -2.9011 -2.9011 0.3974 0.4012 1.1711 1.1714 1.1947 1.2009 1.5390 1.5411 2.1507 2.1515 2.5749 2.5781 3.5717 3.5756 3.6011 3.6013 4.9358 4.9404 5.0133 5.0143 5.3016 5.3055 6.6582 6.6594 7.7496 7.7518 8.3358 8.3362 9.1341 9.1501 9.1768 9.1802 k = 0.0000 0.0000 0.0821 ( 8521 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4607 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1834 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -7.0119 -7.0119 -4.2111 -4.2104 -4.1670 -4.1667 -3.9662 -3.9653 -2.8772 -2.8772 0.3731 0.3777 1.1688 1.1694 1.2120 1.2193 1.5656 1.5681 2.1452 2.1464 2.5873 2.5914 3.5630 3.5681 3.6107 3.6109 4.8868 4.8924 5.0071 5.0082 5.2813 5.2861 6.6863 6.6878 7.7873 7.7901 8.3757 8.3764 9.1254 9.1407 9.1762 9.1791 k = 0.0000 0.0000 0.1027 ( 8521 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4607 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1834 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -7.0038 -7.0037 -4.2402 -4.2394 -4.1740 -4.1736 -3.9685 -3.9674 -2.8477 -2.8477 0.3437 0.3489 1.1663 1.1671 1.2347 1.2425 1.5983 1.6008 2.1371 2.1387 2.6034 2.6083 3.5539 3.5602 3.6228 3.6232 4.8257 4.8320 5.0011 5.0022 5.2556 5.2612 6.7203 6.7222 7.8361 7.8396 8.4206 8.4220 9.1225 9.1362 9.1757 9.1781 k = 0.0000 0.0000 0.1232 ( 8517 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4607 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1834 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -6.9939 -6.9938 -4.2738 -4.2729 -4.1824 -4.1818 -3.9716 -3.9704 -2.8133 -2.8133 0.3101 0.3157 1.1637 1.1648 1.2624 1.2704 1.6362 1.6385 2.1256 2.1278 2.6233 2.6288 3.5459 3.5533 3.6369 3.6374 4.7550 4.7618 4.9946 4.9957 5.2248 5.2310 6.7591 6.7613 7.8961 7.9002 8.4662 8.4686 9.1275 9.1389 9.1751 9.1773 k = 0.0000 0.0000 0.1437 ( 8521 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4607 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1834 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -6.9822 -6.9821 -4.3111 -4.3101 -4.1920 -4.1914 -3.9757 -3.9744 -2.7747 -2.7747 0.2731 0.2789 1.1615 1.1627 1.2949 1.3028 1.6784 1.6803 2.1100 2.1129 2.6471 2.6531 3.5404 3.5487 3.6523 3.6530 4.6772 4.6846 4.9872 4.9884 5.1891 5.1957 6.8014 6.8039 7.9672 7.9718 8.5079 8.5117 9.1417 9.1503 9.1748 9.1767 k = 0.0000 0.0000 0.1643 ( 8521 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4607 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1834 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -6.9687 -6.9687 -4.3514 -4.3505 -4.2028 -4.2021 -3.9806 -3.9793 -2.7327 -2.7326 0.2333 0.2392 1.1598 1.1611 1.3319 1.3393 1.7243 1.7257 2.0900 2.0934 2.6749 2.6813 3.5384 3.5476 3.6682 3.6691 4.5950 4.6029 4.9788 4.9802 5.1487 5.1557 6.8463 6.8490 8.0489 8.0540 8.5419 8.5473 9.1618 9.1662 9.1795 9.1806 k = 0.0000 0.0000 0.1848 ( 8515 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1847 -36.1834 -36.1834 -36.1563 -36.1563 -36.1553 -36.1553 -6.9535 -6.9535 -4.3943 -4.3933 -4.2146 -4.2138 -3.9866 -3.9851 -2.6876 -2.6876 0.1915 0.1974 1.1589 1.1604 1.3730 1.3798 1.7732 1.7740 2.0650 2.0691 2.7067 2.7133 3.5408 3.5508 3.6831 3.6843 4.5112 4.5195 4.9693 4.9709 5.1041 5.1112 6.8928 6.8957 8.1406 8.1462 8.5659 8.5730 9.1676 9.1682 9.2068 9.2078 k = 0.0000 0.0000 0.2053 ( 8513 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1847 -36.1834 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.9366 -6.9365 -4.4392 -4.4382 -4.2273 -4.2265 -3.9935 -3.9919 -2.6401 -2.6400 0.1482 0.1539 1.1591 1.1608 1.4176 1.4236 1.8248 1.8249 2.0350 2.0397 2.7427 2.7493 3.5482 3.5588 3.6950 3.6963 4.4292 4.4380 4.9584 4.9605 5.0559 5.0628 6.9405 6.9435 8.2415 8.2475 8.5797 8.5882 9.1658 9.1661 9.2444 9.2485 k = 0.0000 0.0000 0.2258 ( 8513 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4595 -36.4594 -36.1848 -36.1847 -36.1834 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.9180 -6.9179 -4.4857 -4.4847 -4.2408 -4.2399 -4.0013 -3.9998 -2.5906 -2.5905 0.1037 0.1093 1.1607 1.1625 1.4652 1.4703 1.8781 1.8786 2.0004 2.0055 2.7827 2.7894 3.5608 3.5719 3.7005 3.7019 4.3534 4.3625 4.9448 4.9484 5.0055 5.0115 6.9890 6.9919 8.3501 8.3564 8.5845 8.5941 9.1625 9.1630 9.2852 9.2922 k = 0.0000 0.0000 0.2464 ( 8515 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4595 -36.4594 -36.1848 -36.1847 -36.1834 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.8977 -6.8976 -4.5334 -4.5324 -4.2549 -4.2539 -4.0102 -4.0085 -2.5395 -2.5393 0.0585 0.0639 1.1638 1.1658 1.5151 1.5192 1.9327 1.9332 1.9634 1.9672 2.8269 2.8335 3.5785 3.5899 3.6953 3.6966 4.2892 4.2985 4.9220 4.9302 4.9602 4.9620 7.0379 7.0409 8.4648 8.4716 8.5823 8.5925 9.1582 9.1590 9.3251 9.3342 k = 0.0000 0.0000 0.2669 ( 8511 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4605 -36.4595 -36.4594 -36.1847 -36.1847 -36.1835 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.8758 -6.8757 -4.5821 -4.5811 -4.2695 -4.2684 -4.0200 -4.0183 -2.4870 -2.4868 0.0129 0.0181 1.1687 1.1709 1.5665 1.5696 1.9164 1.9238 1.9918 1.9954 2.8751 2.8816 3.6009 3.6126 3.6745 3.6753 4.2426 4.2517 4.8756 4.8868 4.9339 4.9347 7.0873 7.0902 8.5723 8.5848 8.5862 8.5912 9.1530 9.1541 9.3604 9.3703 k = 0.0000 0.0000 0.2874 ( 8515 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4605 -36.4595 -36.4594 -36.1847 -36.1847 -36.1835 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.8523 -6.8521 -4.6316 -4.6306 -4.2844 -4.2833 -4.0307 -4.0290 -2.4334 -2.4332 -0.0328 -0.0279 1.1755 1.1778 1.6185 1.6205 1.8711 1.8784 2.0517 2.0558 2.9272 2.9337 3.6274 3.6341 3.6353 3.6402 4.2173 4.2257 4.8168 4.8279 4.9182 4.9185 7.1370 7.1398 8.5625 8.5733 8.7052 8.7122 9.1472 9.1486 9.3873 9.3966 k = 0.0000 0.0000 0.3080 ( 8513 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4605 -36.4595 -36.4595 -36.1847 -36.1846 -36.1835 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.8272 -6.8270 -4.6816 -4.6806 -4.2995 -4.2983 -4.0424 -4.0406 -2.3789 -2.3787 -0.0786 -0.0738 1.1843 1.1868 1.6700 1.6711 1.8233 1.8308 2.1141 2.1190 2.9831 2.9895 3.5767 3.5783 3.6575 3.6695 4.2128 4.2202 4.7540 4.7650 4.9037 4.9038 7.1871 7.1898 8.5477 8.5582 8.8249 8.8322 9.1407 9.1423 9.4019 9.4093 k = 0.0000 0.0000 0.3285 ( 8513 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4605 -36.4595 -36.4595 -36.1847 -36.1846 -36.1835 -36.1834 -36.1562 -36.1562 -36.1554 -36.1554 -6.8005 -6.8003 -4.7320 -4.7310 -4.3146 -4.3134 -4.0550 -4.0532 -2.3238 -2.3235 -0.1241 -0.1196 1.1950 1.1977 1.7196 1.7198 1.7745 1.7824 2.1792 2.1850 3.0426 3.0489 3.5054 3.5084 3.6902 3.7021 4.2249 4.2313 4.6891 4.7002 4.8891 4.8896 7.2376 7.2401 8.5303 8.5405 8.9396 8.9475 9.1343 9.1358 9.4021 9.4073 k = 0.0000 0.0000 0.3490 ( 8505 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4605 -36.4595 -36.4595 -36.1847 -36.1846 -36.1835 -36.1835 -36.1562 -36.1562 -36.1554 -36.1554 -6.7723 -6.7721 -4.7826 -4.7817 -4.3296 -4.3284 -4.0686 -4.0667 -2.2681 -2.2678 -0.1693 -0.1650 1.2077 1.2106 1.7238 1.7311 1.7677 1.7691 2.2470 2.2537 3.1055 3.1118 3.4263 3.4305 3.7246 3.7365 4.2489 4.2544 4.6232 4.6344 4.8746 4.8754 7.2885 7.2908 8.5109 8.5207 9.0424 9.0522 9.1308 9.1310 9.3906 9.3942 k = 0.0000 0.0000 0.3696 ( 8511 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4605 -36.4596 -36.4595 -36.1847 -36.1846 -36.1836 -36.1835 -36.1561 -36.1561 -36.1554 -36.1554 -6.7427 -6.7425 -4.8333 -4.8324 -4.3444 -4.3432 -4.0829 -4.0811 -2.2121 -2.2117 -0.2141 -0.2101 1.2220 1.2251 1.6758 1.6838 1.8098 1.8114 2.3178 2.3252 3.1715 3.1779 3.3438 3.3492 3.7600 3.7718 4.2807 4.2853 4.5575 4.5686 4.8604 4.8615 7.3397 7.3418 8.4896 8.4989 9.0978 9.1083 9.1614 9.1624 9.3719 9.3746 k = 0.0000 0.0000 0.3901 ( 8511 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4604 -36.4596 -36.4595 -36.1847 -36.1846 -36.1836 -36.1835 -36.1561 -36.1561 -36.1554 -36.1554 -6.7116 -6.7114 -4.8842 -4.8833 -4.3588 -4.3576 -4.0981 -4.0963 -2.1557 -2.1553 -0.2585 -0.2546 1.2375 1.2409 1.6295 1.6378 1.8470 1.8490 2.3914 2.3994 3.2396 3.2469 3.2623 3.2678 3.7953 3.8071 4.3171 4.3203 4.4936 4.5041 4.8466 4.8480 7.3910 7.3929 8.4664 8.4751 9.0965 9.1042 9.2346 9.2360 9.3493 9.3515 k = 0.0000 0.0000 0.4106 ( 8527 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4604 -36.4596 -36.4595 -36.1846 -36.1845 -36.1836 -36.1835 -36.1561 -36.1561 -36.1554 -36.1554 -6.6792 -6.6790 -4.9349 -4.9341 -4.3728 -4.3715 -4.1141 -4.1123 -2.0991 -2.0988 -0.3023 -0.2986 1.2533 1.2570 1.5868 1.5954 1.8777 1.8799 2.4675 2.4760 3.1812 3.1891 3.3125 3.3186 3.8297 3.8415 4.3513 4.3525 4.4387 4.4454 4.8337 4.8354 7.4424 7.4440 8.4412 8.4494 9.0872 9.0945 9.2971 9.2982 9.3249 9.3267 k = 0.0000 0.0000 0.4312 ( 8531 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4604 -36.4597 -36.4596 -36.1846 -36.1845 -36.1837 -36.1836 -36.1561 -36.1561 -36.1555 -36.1555 -6.6454 -6.6452 -4.9857 -4.9848 -4.3861 -4.3848 -4.1308 -4.1289 -2.0424 -2.0421 -0.3455 -0.3420 1.2678 1.2716 1.5500 1.5588 1.9005 1.9027 2.5458 2.5546 3.1063 3.1152 3.3863 3.3926 3.8623 3.8740 4.3397 4.3529 4.4262 4.4309 4.8220 4.8242 7.4936 7.4949 8.4138 8.4215 9.0751 9.0826 9.2996 9.3013 9.3447 9.3449 k = 0.0000 0.0000 0.4517 ( 8555 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4604 -36.4597 -36.4596 -36.1846 -36.1845 -36.1837 -36.1836 -36.1561 -36.1561 -36.1555 -36.1555 -6.6103 -6.6101 -5.0363 -5.0355 -4.3987 -4.3974 -4.1481 -4.1462 -1.9857 -1.9853 -0.3882 -0.3849 1.2783 1.2820 1.5225 1.5311 1.9140 1.9161 2.6255 2.6345 3.0379 3.0479 3.4619 3.4685 3.8921 3.9038 4.2888 4.3036 4.4611 4.4669 4.8122 4.8148 7.5442 7.5452 8.3840 8.3911 9.0602 9.0679 9.2745 9.2760 9.3772 9.3782 k = 0.0000 0.0000 0.4722 ( 8549 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4604 -36.4597 -36.4596 -36.1846 -36.1845 -36.1837 -36.1836 -36.1561 -36.1561 -36.1555 -36.1555 -6.5741 -6.5738 -5.0868 -5.0860 -4.4104 -4.4091 -4.1659 -4.1640 -1.9291 -1.9287 -0.4303 -0.4272 1.2815 1.2845 1.5083 1.5163 1.9171 1.9189 2.7056 2.7145 2.9777 2.9886 3.5388 3.5458 3.9182 3.9301 4.2355 4.2504 4.5049 4.5104 4.8047 4.8077 7.5939 7.5945 8.3514 8.3580 9.0412 9.0492 9.2499 9.2513 9.3979 9.4000 k = 0.0000 0.0000 0.4928 ( 8571 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4604 -36.4598 -36.4597 -36.1846 -36.1845 -36.1838 -36.1837 -36.1561 -36.1561 -36.1555 -36.1555 -6.5366 -6.5364 -5.1372 -5.1364 -4.4213 -4.4199 -4.1841 -4.1823 -1.8726 -1.8721 -0.4718 -0.4689 1.2750 1.2768 1.5102 1.5169 1.9092 1.9106 2.7844 2.7925 2.9274 2.9384 3.6163 3.6237 3.9401 3.9524 4.1864 4.2015 4.5501 4.5553 4.7999 4.8035 7.6420 7.6422 8.3157 8.3219 9.0161 9.0241 9.2260 9.2273 9.4093 9.4123 k = 0.0000 0.0000 0.5133 ( 8555 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4598 -36.4597 -36.1845 -36.1844 -36.1838 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4980 -6.4978 -5.1874 -5.1867 -4.4311 -4.4297 -4.2027 -4.2009 -1.8162 -1.8158 -0.5129 -0.5102 1.2602 1.2607 1.5266 1.5320 1.8902 1.8912 2.8512 2.8530 2.9030 2.9051 3.6931 3.7013 3.9574 3.9704 4.1444 4.1594 4.5951 4.6001 4.7983 4.8024 7.6876 7.6879 8.2766 8.2823 8.9821 8.9898 9.2032 9.2042 9.4132 9.4171 k = 0.0000 0.0000 0.5338 ( 8555 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4598 -36.4597 -36.1845 -36.1844 -36.1838 -36.1837 -36.1560 -36.1560 -36.1556 -36.1556 -6.4584 -6.4581 -5.2374 -5.2367 -4.4398 -4.4384 -4.2215 -4.2197 -1.7601 -1.7597 -0.5536 -0.5511 1.2401 1.2407 1.5538 1.5581 1.8608 1.8616 2.8337 2.8478 2.9495 2.9590 3.7672 3.7767 3.9708 3.9852 4.1115 4.1263 4.6390 4.6440 4.8001 4.8047 7.7298 7.7306 8.2339 8.2392 8.9368 8.9438 9.1816 9.1823 9.4112 9.4155 k = 0.0000 0.0000 0.5543 ( 8558 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4598 -36.4597 -36.1845 -36.1844 -36.1838 -36.1837 -36.1560 -36.1560 -36.1556 -36.1556 -6.4178 -6.4175 -5.2874 -5.2867 -4.4473 -4.4459 -4.2404 -4.2386 -1.7044 -1.7040 -0.5940 -0.5916 1.2184 1.2199 1.5886 1.5922 1.8225 1.8232 2.8030 2.8177 3.0195 3.0292 3.8342 3.8453 3.9841 4.0002 4.0894 4.1039 4.6814 4.6863 4.8052 4.8104 7.7676 7.7690 8.1874 8.1923 8.8801 8.8860 9.1611 9.1612 9.4045 9.4090 k = 0.0000 0.0000 0.5749 ( 8558 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4598 -36.4597 -36.1845 -36.1844 -36.1839 -36.1837 -36.1560 -36.1560 -36.1556 -36.1556 -6.3762 -6.3759 -5.3371 -5.3364 -4.4535 -4.4521 -4.2593 -4.2575 -1.6491 -1.6487 -0.6341 -0.6318 1.1980 1.2000 1.6289 1.6320 1.7772 1.7778 2.7730 2.7876 3.0869 3.0963 3.8841 3.8947 4.0089 4.0249 4.0797 4.0937 4.7217 4.7266 4.8135 4.8191 7.7994 7.8013 8.1375 8.1420 8.8148 8.8196 9.1405 9.1413 9.3910 9.3947 k = 0.0000 0.0000 0.5954 ( 8566 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4602 -36.4599 -36.4598 -36.1845 -36.1843 -36.1839 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.3338 -6.3335 -5.3867 -5.3861 -4.4585 -4.4571 -4.2780 -4.2762 -1.5943 -1.5939 -0.6740 -0.6719 1.1802 1.1826 1.6733 1.6762 1.7270 1.7275 2.7423 2.7566 3.1495 3.1586 3.9059 3.9119 4.0572 4.0694 4.0836 4.0966 4.7595 4.7643 4.8244 4.8303 7.8232 7.8258 8.0844 8.0886 8.7471 8.7508 9.1188 9.1211 9.3372 9.3434 k = 0.0000 0.0000 0.6159 ( 8562 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1844 -36.1843 -36.1839 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.2905 -6.2903 -5.4362 -5.4356 -4.4621 -4.4607 -4.2964 -4.2947 -1.5401 -1.5397 -0.7139 -0.7120 1.1658 1.1685 1.6728 1.6738 1.7220 1.7243 2.7093 2.7229 3.2070 3.2158 3.9047 3.9070 4.0965 4.1122 4.1226 4.1282 4.7943 4.7992 4.8373 4.8434 7.8368 7.8401 8.0290 8.0328 8.6840 8.6869 9.0942 9.0985 9.2876 9.2956 k = 0.0000 0.0000 0.6365 ( 8574 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1844 -36.1843 -36.1840 -36.1838 -36.1559 -36.1559 -36.1556 -36.1556 -6.2466 -6.2463 -5.4855 -5.4849 -4.4643 -4.4629 -4.3144 -4.3127 -1.4866 -1.4861 -0.7538 -0.7521 1.1555 1.1583 1.6178 1.6188 1.7727 1.7752 2.6725 2.6853 3.2600 3.2682 3.8908 3.8911 4.1247 4.1395 4.1860 4.1905 4.8259 4.8307 4.8516 4.8576 7.8384 7.8422 7.9723 7.9759 8.6320 8.6342 9.0637 9.0702 9.2469 9.2570 k = 0.0000 0.0000 0.6570 ( 8562 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1844 -36.1843 -36.1840 -36.1838 -36.1559 -36.1559 -36.1557 -36.1557 -6.2019 -6.2016 -5.5347 -5.5342 -4.4650 -4.4636 -4.3319 -4.3302 -1.4339 -1.4334 -0.7940 -0.7924 1.1496 1.1525 1.5625 1.5637 1.8262 1.8288 2.6313 2.6430 3.3093 3.3170 3.8684 3.8691 4.1614 4.1760 4.2469 4.2508 4.8539 4.8586 4.8665 4.8722 7.8272 7.8315 7.9158 7.9191 8.5955 8.5975 9.0260 9.0340 9.2185 9.2302 k = 0.0000 0.0000 0.6775 ( 8550 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4598 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1566 -6.1563 -5.5838 -5.5833 -4.4643 -4.4629 -4.3487 -4.3471 -1.3819 -1.3814 -0.8345 -0.8330 1.1483 1.1513 1.5083 1.5096 1.8819 1.8846 2.5855 2.5961 3.3560 3.3630 3.8407 3.8420 4.2044 4.2187 4.3020 4.3060 4.8780 4.8802 4.8837 4.8866 7.8048 7.8093 7.8611 7.8642 8.5761 8.5783 8.9819 8.9905 9.2022 9.2147 k = 0.0000 0.0000 0.6981 ( 8542 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1108 -6.1104 -5.6328 -5.6323 -4.4622 -4.4607 -4.3648 -4.3631 -1.3309 -1.3304 -0.8754 -0.8741 1.1520 1.1549 1.4559 1.4575 1.9395 1.9424 2.5354 2.5449 3.4011 3.4074 3.8092 3.8109 4.2505 4.2644 4.3494 4.3538 4.8948 4.8977 4.9004 4.9033 7.7750 7.7795 7.8099 7.8130 8.5728 8.5753 8.9342 8.9427 9.1954 9.2080 k = 0.0000 0.0000 0.7186 ( 8542 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1841 -36.1839 -36.1558 -36.1558 -36.1557 -36.1557 -6.0644 -6.0641 -5.6816 -5.6811 -4.4585 -4.4571 -4.3799 -4.3783 -1.2809 -1.2803 -0.9170 -0.9157 1.1606 1.1635 1.4063 1.4081 1.9986 2.0018 2.4816 2.4901 3.4452 3.4509 3.7746 3.7766 4.2964 4.3100 4.3874 4.3927 4.9078 4.9114 4.9149 4.9190 7.7427 7.7470 7.7643 7.7673 8.5828 8.5858 8.8853 8.8934 9.1953 9.2078 k = 0.0000 0.0000 0.7391 ( 8550 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -6.0176 -6.0173 -5.7303 -5.7298 -4.4534 -4.4520 -4.3941 -4.3925 -1.2318 -1.2312 -0.9592 -0.9581 1.1743 1.1772 1.3601 1.3621 2.0590 2.0625 2.4249 2.4324 3.4887 3.4938 3.7375 3.7399 4.3394 4.3524 4.4147 4.4211 4.9193 4.9218 4.9266 4.9304 7.7127 7.7168 7.7261 7.7291 8.6031 8.6067 8.8369 8.8445 9.2001 9.2124 k = 0.0000 0.0000 0.7597 ( 8546 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9705 -5.9701 -5.7787 -5.7783 -4.4469 -4.4454 -4.4071 -4.4056 -1.1838 -1.1831 -1.0022 -1.0012 1.1931 1.1959 1.3177 1.3198 2.1202 2.1243 2.3659 2.3726 3.5318 3.5364 3.6986 3.7014 4.3766 4.3889 4.4303 4.4381 4.9288 4.9300 4.9344 4.9376 7.6889 7.6929 7.6968 7.7000 8.6311 8.6354 8.7900 8.7969 9.2085 9.2206 k = 0.0000 0.0000 0.7802 ( 8552 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.9229 -5.9226 -5.8270 -5.8266 -4.4389 -4.4374 -4.4190 -4.4175 -1.1369 -1.1361 -1.0461 -1.0452 1.2170 1.2197 1.2795 1.2818 2.1820 2.1866 2.3054 2.3112 3.5746 3.5786 3.6582 3.6614 4.4060 4.4174 4.4339 4.4429 4.9357 4.9358 4.9383 4.9407 7.6743 7.6780 7.6780 7.6813 8.6649 8.6699 8.7452 8.7515 9.2196 9.2314 k = 0.0000 0.0000 0.8007 ( 8562 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.8751 -5.8751 -5.8747 -5.8747 -4.4296 -4.4296 -4.4281 -4.4281 -1.0910 -1.0910 -1.0902 -1.0902 1.2459 1.2459 1.2484 1.2484 2.2439 2.2439 2.2490 2.2490 3.6168 3.6168 3.6203 3.6203 4.4255 4.4255 4.4358 4.4358 4.9386 4.9386 4.9400 4.9400 7.6704 7.6704 7.6739 7.6739 8.7033 8.7033 8.7090 8.7090 9.2327 9.2327 k = 0.0000 0.0000 0.8007 ( 8562 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.8751 -5.8751 -5.8747 -5.8747 -4.4296 -4.4296 -4.4281 -4.4281 -1.0910 -1.0910 -1.0902 -1.0902 1.2459 1.2459 1.2484 1.2484 2.2439 2.2439 2.2490 2.2490 3.6168 3.6168 3.6203 3.6203 4.4255 4.4255 4.4358 4.4358 4.9386 4.9386 4.9400 4.9400 7.6704 7.6704 7.6739 7.6739 8.7033 8.7033 8.7090 8.7090 9.2327 9.2327 k =-0.0123 0.0154 0.8007 ( 8560 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.8752 -5.8752 -5.8748 -5.8748 -4.4299 -4.4299 -4.4284 -4.4284 -1.0893 -1.0893 -1.0885 -1.0885 1.2459 1.2459 1.2484 1.2484 2.2441 2.2441 2.2493 2.2493 3.6138 3.6138 3.6175 3.6175 4.4249 4.4249 4.4353 4.4353 4.9377 4.9377 4.9394 4.9394 7.6724 7.6724 7.6759 7.6759 8.7074 8.7074 8.7131 8.7131 9.2329 9.2329 k =-0.0246 0.0307 0.8007 ( 8540 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8756 -5.8756 -5.8752 -5.8752 -4.4306 -4.4306 -4.4291 -4.4291 -1.0844 -1.0844 -1.0835 -1.0835 1.2461 1.2461 1.2485 1.2485 2.2447 2.2447 2.2499 2.2499 3.6051 3.6051 3.6089 3.6089 4.4230 4.4230 4.4336 4.4336 4.9352 4.9352 4.9374 4.9374 7.6783 7.6783 7.6818 7.6818 8.7197 8.7197 8.7253 8.7253 9.2333 9.2333 k =-0.0369 0.0461 0.8007 ( 8544 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8761 -5.8761 -5.8757 -5.8757 -4.4318 -4.4318 -4.4302 -4.4302 -1.0762 -1.0762 -1.0752 -1.0752 1.2464 1.2464 1.2488 1.2488 2.2456 2.2456 2.2510 2.2510 3.5909 3.5909 3.5950 3.5950 4.4200 4.4200 4.4309 4.4309 4.9310 4.9310 4.9340 4.9340 7.6880 7.6880 7.6916 7.6916 8.7396 8.7396 8.7452 8.7452 9.2333 9.2333 k =-0.0492 0.0615 0.8007 ( 8532 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8770 -5.8770 -5.8765 -5.8765 -4.4333 -4.4333 -4.4318 -4.4318 -1.0648 -1.0648 -1.0639 -1.0639 1.2468 1.2468 1.2491 1.2491 2.2469 2.2469 2.2525 2.2525 3.5717 3.5717 3.5761 3.5761 4.4157 4.4157 4.4270 4.4270 4.9251 4.9251 4.9290 4.9290 7.7015 7.7015 7.7051 7.7051 8.7665 8.7665 8.7720 8.7720 9.2320 9.2320 k =-0.0615 0.0769 0.8007 ( 8528 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8780 -5.8780 -5.8776 -5.8776 -4.4352 -4.4352 -4.4336 -4.4336 -1.0506 -1.0506 -1.0496 -1.0496 1.2474 1.2474 1.2496 1.2496 2.2486 2.2486 2.2544 2.2544 3.5482 3.5482 3.5529 3.5529 4.4102 4.4102 4.4220 4.4220 4.9175 4.9175 4.9223 4.9223 7.7183 7.7183 7.7220 7.7220 8.7993 8.7993 8.8047 8.8047 9.2281 9.2281 k =-0.0737 0.0922 0.8007 ( 8526 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8794 -5.8794 -5.8789 -5.8789 -4.4372 -4.4372 -4.4356 -4.4356 -1.0337 -1.0337 -1.0326 -1.0326 1.2481 1.2481 1.2503 1.2503 2.2505 2.2505 2.2567 2.2567 3.5210 3.5210 3.5261 3.5261 4.4035 4.4035 4.4159 4.4159 4.9082 4.9082 4.9138 4.9138 7.7381 7.7381 7.7418 7.7418 8.8367 8.8367 8.8420 8.8420 9.2206 9.2206 k =-0.0860 0.1076 0.8007 ( 8518 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1841 -36.1841 -36.1840 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.8811 -5.8811 -5.8806 -5.8806 -4.4394 -4.4394 -4.4378 -4.4377 -1.0143 -1.0143 -1.0131 -1.0131 1.2490 1.2490 1.2512 1.2512 2.2528 2.2528 2.2593 2.2593 3.4909 3.4909 3.4964 3.4964 4.3956 4.3956 4.4086 4.4086 4.8971 4.8971 4.9035 4.9035 7.7603 7.7603 7.7641 7.7641 8.8770 8.8770 8.8821 8.8821 9.2089 9.2089 k =-0.0983 0.1230 0.8007 ( 8528 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.8831 -5.8831 -5.8826 -5.8826 -4.4415 -4.4415 -4.4398 -4.4398 -0.9929 -0.9929 -0.9916 -0.9916 1.2502 1.2502 1.2525 1.2525 2.2554 2.2554 2.2622 2.2622 3.4587 3.4587 3.4646 3.4646 4.3865 4.3865 4.4002 4.4002 4.8843 4.8843 4.8916 4.8916 7.7841 7.7841 7.7879 7.7879 8.9177 8.9177 8.9224 8.9224 9.1934 9.1934 k =-0.1106 0.1384 0.8007 ( 8528 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8855 -5.8855 -5.8850 -5.8850 -4.4434 -4.4434 -4.4417 -4.4417 -0.9697 -0.9697 -0.9684 -0.9684 1.2518 1.2518 1.2541 1.2541 2.2582 2.2582 2.2655 2.2655 3.4253 3.4253 3.4316 3.4316 4.3762 4.3762 4.3905 4.3905 4.8699 4.8699 4.8781 4.8781 7.8085 7.8085 7.8123 7.8123 8.9555 8.9555 8.9593 8.9593 9.1766 9.1766 k =-0.1229 0.1537 0.8007 ( 8530 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8882 -5.8882 -5.8877 -5.8877 -4.4450 -4.4450 -4.4433 -4.4433 -0.9453 -0.9453 -0.9438 -0.9438 1.2537 1.2537 1.2563 1.2563 2.2613 2.2613 2.2690 2.2690 3.3913 3.3913 3.3979 3.3979 4.3647 4.3647 4.3797 4.3797 4.8543 4.8543 4.8633 4.8633 7.8321 7.8321 7.8359 7.8359 8.9842 8.9842 8.9866 8.9866 9.1641 9.1641 k =-0.1352 0.1691 0.8007 ( 8536 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8914 -5.8914 -5.8908 -5.8908 -4.4462 -4.4462 -4.4445 -4.4445 -0.9200 -0.9200 -0.9183 -0.9183 1.2563 1.2563 1.2591 1.2591 2.2647 2.2647 2.2727 2.2727 3.3575 3.3575 3.3644 3.3644 4.3520 4.3520 4.3676 4.3676 4.8375 4.8375 4.8473 4.8473 7.8534 7.8534 7.8571 7.8571 8.9950 8.9950 8.9977 8.9977 9.1627 9.1627 k =-0.1475 0.1845 0.8007 ( 8536 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8950 -5.8950 -5.8944 -5.8944 -4.4468 -4.4468 -4.4451 -4.4451 -0.8942 -0.8942 -0.8924 -0.8924 1.2597 1.2597 1.2628 1.2628 2.2682 2.2682 2.2767 2.2767 3.3244 3.3244 3.3316 3.3316 4.3381 4.3381 4.3543 4.3543 4.8201 4.8201 4.8305 4.8305 7.8706 7.8706 7.8743 7.8743 8.9861 8.9861 8.9907 8.9907 9.1734 9.1734 k =-0.1598 0.1999 0.8007 ( 8530 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1841 -36.1841 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8990 -5.8990 -5.8984 -5.8984 -4.4467 -4.4467 -4.4450 -4.4450 -0.8686 -0.8686 -0.8667 -0.8667 1.2640 1.2640 1.2676 1.2676 2.2720 2.2720 2.2810 2.2810 3.2927 3.2927 3.3001 3.3001 4.3228 4.3228 4.3396 4.3396 4.8022 4.8022 4.8133 4.8133 7.8818 7.8818 7.8856 7.8856 8.9661 8.9661 8.9719 8.9719 9.1899 9.1899 k =-0.1598 0.1999 0.8007 ( 8530 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1841 -36.1841 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8990 -5.8990 -5.8984 -5.8984 -4.4467 -4.4467 -4.4450 -4.4450 -0.8686 -0.8686 -0.8667 -0.8667 1.2640 1.2640 1.2676 1.2676 2.2720 2.2720 2.2810 2.2810 3.2927 3.2927 3.3001 3.3001 4.3228 4.3228 4.3396 4.3396 4.8022 4.8022 4.8133 4.8133 7.8818 7.8818 7.8856 7.8856 8.9661 8.9661 8.9719 8.9719 9.1899 9.1899 k =-0.1687 0.2111 0.7864 ( 8538 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.9280 -5.9276 -5.8763 -5.8758 -4.4577 -4.4562 -4.4338 -4.4322 -0.8877 -0.8856 -0.8133 -0.8113 1.2581 1.2620 1.2798 1.2836 2.2427 2.2492 2.3086 2.3157 3.2534 3.2594 3.2901 3.2959 4.2856 4.2937 4.3396 4.3469 4.7687 4.7727 4.8186 4.8231 7.8716 7.8746 7.9031 7.9058 8.9213 8.9247 8.9794 8.9821 9.1961 9.2026 k =-0.1777 0.2223 0.7720 ( 8539 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9558 -5.9554 -5.8553 -5.8548 -4.4685 -4.4670 -4.4192 -4.4176 -0.9084 -0.9062 -0.7580 -0.7559 1.2569 1.2611 1.2959 1.3001 2.2137 2.2200 2.3403 2.3477 3.2177 3.2233 3.2859 3.2916 4.2381 4.2462 4.3456 4.3523 4.7323 4.7358 4.8350 4.8396 7.8548 7.8578 7.9264 7.9287 8.8728 8.8769 8.9935 8.9964 9.1959 9.2017 k =-0.1866 0.2335 0.7577 ( 8538 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9823 -5.9819 -5.8361 -5.8356 -4.4790 -4.4776 -4.4029 -4.4012 -0.9308 -0.9285 -0.7029 -0.7008 1.2602 1.2650 1.3123 1.3170 2.1860 2.1921 2.3680 2.3754 3.1864 3.1914 3.2811 3.2867 4.1849 4.1928 4.3462 4.3520 4.6973 4.7002 4.8546 4.8591 7.8309 7.8337 7.9514 7.9534 8.8254 8.8298 9.0116 9.0146 9.1862 9.1914 k =-0.1956 0.2447 0.7434 ( 8532 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -6.0074 -6.0070 -5.8186 -5.8181 -4.4891 -4.4877 -4.3851 -4.3833 -0.9547 -0.9522 -0.6483 -0.6461 1.2680 1.2733 1.3289 1.3341 2.1597 2.1657 2.3908 2.3980 3.1601 3.1640 3.2755 3.2812 4.1282 4.1360 4.3400 4.3447 4.6662 4.6681 4.8761 4.8805 7.7995 7.8021 7.9774 7.9794 8.7807 8.7853 9.0340 9.0371 9.1663 9.1712 k =-0.2045 0.2559 0.7290 ( 8528 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -6.0311 -6.0307 -5.8029 -5.8023 -4.4988 -4.4975 -4.3660 -4.3641 -0.9800 -0.9772 -0.5945 -0.5923 1.2800 1.2859 1.3456 1.3512 2.1348 2.1408 2.4084 2.4151 3.1386 3.1411 3.2693 3.2751 4.0700 4.0776 4.3262 4.3299 4.6405 4.6414 4.8989 4.9031 7.7608 7.7632 8.0038 8.0059 8.7395 8.7441 9.0600 9.0635 9.1377 9.1427 k =-0.2135 0.2671 0.7147 ( 8529 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -6.0533 -6.0530 -5.7888 -5.7883 -4.5080 -4.5068 -4.3458 -4.3439 -1.0062 -1.0033 -0.5417 -0.5394 1.2958 1.3024 1.3622 1.3683 2.1114 2.1174 2.4206 2.4266 3.1209 3.1227 3.2623 3.2684 4.0118 4.0192 4.3050 4.3083 4.6205 4.6212 4.9221 4.9262 7.7158 7.7181 8.0302 8.0326 8.7019 8.7065 9.0783 9.0850 9.1119 9.1183 k =-0.2225 0.2783 0.7004 ( 8532 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -6.0740 -6.0737 -5.7764 -5.7758 -4.5168 -4.5156 -4.3248 -4.3228 -1.0332 -1.0301 -0.4903 -0.4880 1.3150 1.3223 1.3787 1.3852 2.0894 2.0955 2.4279 2.4327 3.1051 3.1084 3.2548 3.2613 3.9551 3.9625 4.2780 4.2814 4.6055 4.6070 4.9454 4.9494 7.6658 7.6680 8.0561 8.0590 8.6677 8.6722 9.0490 9.0547 9.1366 9.1407 k =-0.2314 0.2895 0.6860 ( 8538 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1558 -36.1558 -36.1557 -36.1557 -6.0932 -6.0929 -5.7655 -5.7649 -4.5250 -4.5239 -4.3035 -4.3014 -1.0604 -1.0571 -0.4407 -0.4384 1.3369 1.3451 1.3950 1.4020 2.0689 2.0751 2.4307 2.4343 3.0902 3.0961 3.2470 3.2541 3.9015 3.9090 4.2476 4.2515 4.5948 4.5971 4.9683 4.9723 7.6125 7.6146 8.0813 8.0847 8.6367 8.6410 9.0048 9.0099 9.1759 9.1796 k =-0.2404 0.3007 0.6717 ( 8548 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1108 -6.1105 -5.7561 -5.7555 -4.5327 -4.5316 -4.2821 -4.2799 -1.0875 -1.0840 -0.3932 -0.3910 1.3608 1.3700 1.4112 1.4186 2.0497 2.0561 2.4303 2.4323 3.0749 3.0833 3.2392 3.2468 3.8522 3.8600 4.2162 4.2206 4.5872 4.5899 4.9907 4.9946 7.5574 7.5596 8.1053 8.1092 8.6087 8.6128 8.9583 8.9631 9.2191 9.2229 k =-0.2493 0.3119 0.6573 ( 8542 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1268 -6.1266 -5.7480 -5.7473 -4.5397 -4.5387 -4.2610 -4.2587 -1.1140 -1.1104 -0.3483 -0.3462 1.3856 1.3958 1.4276 1.4353 2.0318 2.0384 2.4277 2.4282 3.0576 3.0681 3.2317 3.2395 3.8085 3.8168 4.1857 4.1907 4.5814 4.5845 5.0121 5.0160 7.5023 7.5046 8.1277 8.1320 8.5838 8.5876 8.9123 8.9167 9.2649 9.2688 k =-0.2583 0.3231 0.6430 ( 8546 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1412 -6.1410 -5.7411 -5.7404 -4.5461 -4.5451 -4.2407 -4.2383 -1.1393 -1.1356 -0.3064 -0.3044 1.4099 1.4206 1.4453 1.4527 2.0150 2.0218 2.4231 2.4243 3.0374 3.0493 3.2244 3.2321 3.7714 3.7804 4.1576 4.1630 4.5767 4.5799 5.0324 5.0363 7.4487 7.4511 8.1482 8.1529 8.5620 8.5655 8.8680 8.8721 9.3120 9.3162 k =-0.2672 0.3343 0.6287 ( 8542 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1540 -6.1538 -5.7353 -5.7346 -4.5518 -4.5509 -4.2215 -4.2191 -1.1631 -1.1592 -0.2680 -0.2661 1.4317 1.4414 1.4660 1.4720 1.9994 2.0061 2.4184 2.4211 3.0140 3.0266 3.2170 3.2244 3.7416 3.7513 4.1326 4.1383 4.5726 4.5759 5.0512 5.0551 7.3979 7.4004 8.1662 8.1711 8.5438 8.5470 8.8264 8.8302 9.3594 9.3638 k =-0.2762 0.3455 0.6143 ( 8544 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1651 -6.1649 -5.7305 -5.7298 -4.5568 -4.5559 -4.2039 -4.2014 -1.1849 -1.1809 -0.2336 -0.2318 1.4494 1.4572 1.4891 1.4944 1.9847 1.9913 2.4150 2.4190 2.9881 3.0006 3.2092 3.2162 3.7189 3.7293 4.1112 4.1172 4.5689 4.5721 5.0682 5.0723 7.3511 7.3538 8.1814 8.1864 8.5297 8.5326 8.7881 8.7916 9.4059 9.4106 k =-0.2851 0.3567 0.6000 ( 8539 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4599 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1745 -6.1743 -5.7266 -5.7259 -4.5611 -4.5602 -4.1883 -4.1857 -1.2042 -1.2000 -0.2035 -0.2020 1.4631 1.4697 1.5121 1.5183 1.9712 1.9775 2.4135 2.4185 2.9610 2.9728 3.2010 3.2077 3.7029 3.7137 4.0936 4.0997 4.5655 4.5687 5.0833 5.0875 7.3096 7.3125 8.1935 8.1985 8.5199 8.5226 8.7536 8.7568 9.4500 9.4550 k =-0.2941 0.3678 0.5857 ( 8540 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4599 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1822 -6.1820 -5.7235 -5.7229 -4.5646 -4.5638 -4.1750 -4.1724 -1.2205 -1.2163 -0.1781 -0.1769 1.4739 1.4795 1.5338 1.5410 1.9591 1.9647 2.4139 2.4197 2.9344 2.9451 3.1928 3.1994 3.6923 3.7036 4.0795 4.0859 4.5625 4.5656 5.0962 5.1004 7.2741 7.2772 8.2024 8.2073 8.5145 8.5172 8.7231 8.7263 9.4901 9.4955 k =-0.3030 0.3790 0.5713 ( 8540 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4599 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1882 -6.1881 -5.7212 -5.7205 -4.5674 -4.5665 -4.1642 -4.1616 -1.2337 -1.2294 -0.1580 -0.1570 1.4822 1.4872 1.5525 1.5605 1.9488 1.9535 2.4160 2.4221 2.9105 2.9196 3.1854 3.1919 3.6860 3.6974 4.0690 4.0754 4.5600 4.5629 5.1065 5.1108 7.2457 7.2489 8.2083 8.2131 8.5129 8.5157 8.6973 8.7005 9.5244 9.5301 k =-0.3120 0.3902 0.5570 ( 8534 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4599 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1925 -6.1924 -5.7196 -5.7189 -4.5693 -4.5685 -4.1564 -4.1537 -1.2433 -1.2389 -0.1433 -0.1426 1.4882 1.4926 1.5671 1.5757 1.9410 1.9444 2.4188 2.4251 2.8915 2.8987 3.1794 3.1860 3.6826 3.6941 4.0616 4.0682 4.5580 4.5609 5.1140 5.1184 7.2249 7.2282 8.2119 8.2165 8.5140 8.5170 8.6772 8.6805 9.5509 9.5568 k =-0.3209 0.4014 0.5426 ( 8531 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4599 -36.4598 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1951 -6.1950 -5.7187 -5.7180 -4.5705 -4.5697 -4.1516 -4.1489 -1.2491 -1.2448 -0.1343 -0.1340 1.4919 1.4958 1.5764 1.5852 1.9363 1.9381 2.4211 2.4274 2.8793 2.8848 3.1756 3.1822 3.6809 3.6925 4.0573 4.0639 4.5568 4.5597 5.1186 5.1230 7.2122 7.2156 8.2137 8.2182 8.5158 8.5191 8.6641 8.6675 9.5677 9.5738 k =-0.3299 0.4126 0.5283 ( 8533 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4599 -36.4598 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1959 -6.1958 -5.7184 -5.7177 -4.5709 -4.5701 -4.1500 -4.1473 -1.2511 -1.2467 -0.1312 -0.1312 1.4931 1.4969 1.5796 1.5885 1.9351 1.9355 2.4221 2.4282 2.8752 2.8798 3.1743 3.1808 3.6805 3.6920 4.0559 4.0625 4.5564 4.5592 5.1201 5.1246 7.2080 7.2113 8.2143 8.2187 8.5167 8.5201 8.6594 8.6630 9.5735 9.5796 k =-0.3299 0.4126 0.5283 ( 8533 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4599 -36.4598 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1959 -6.1958 -5.7184 -5.7177 -4.5709 -4.5701 -4.1500 -4.1473 -1.2511 -1.2467 -0.1312 -0.1312 1.4931 1.4969 1.5796 1.5885 1.9351 1.9355 2.4221 2.4282 2.8752 2.8798 3.1743 3.1808 3.6805 3.6920 4.0559 4.0625 4.5564 4.5592 5.1201 5.1246 7.2080 7.2113 8.2143 8.2187 8.5167 8.5201 8.6594 8.6630 9.5735 9.5796 k =-0.3210 0.4015 0.5140 ( 8533 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4602 -36.4599 -36.4598 -36.1843 -36.1843 -36.1839 -36.1839 -36.1559 -36.1559 -36.1556 -36.1556 -6.2182 -6.2181 -5.6838 -5.6831 -4.5795 -4.5787 -4.1417 -4.1389 -1.2915 -1.2871 -0.0939 -0.0937 1.4593 1.4617 1.5774 1.5878 1.9512 1.9515 2.3815 2.3877 2.8904 2.8943 3.1274 3.1344 3.7153 3.7272 4.0131 4.0206 4.5957 4.5987 5.1289 5.1331 7.2529 7.2566 8.2624 8.2665 8.5740 8.5781 8.7472 8.7506 9.6072 9.6129 k =-0.3121 0.3903 0.4997 ( 8527 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1844 -36.1843 -36.1839 -36.1838 -36.1559 -36.1559 -36.1556 -36.1556 -6.2422 -6.2421 -5.6477 -5.6469 -4.5853 -4.5844 -4.1334 -4.1305 -1.3338 -1.3296 -0.0615 -0.0611 1.4248 1.4263 1.5794 1.5905 1.9757 1.9758 2.3433 2.3495 2.9031 2.9065 3.0791 3.0865 3.7518 3.7642 3.9726 3.9814 4.6294 4.6327 5.1327 5.1367 7.3004 7.3045 8.3034 8.3070 8.6185 8.6234 8.8375 8.8408 9.6591 9.6643 k =-0.3031 0.3792 0.4855 ( 8535 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1844 -36.1843 -36.1839 -36.1838 -36.1559 -36.1559 -36.1556 -36.1556 -6.2679 -6.2677 -5.6101 -5.6093 -4.5884 -4.5874 -4.1249 -4.1219 -1.3780 -1.3739 -0.0341 -0.0335 1.3901 1.3913 1.5849 1.5964 2.0081 2.0081 2.3078 2.3142 2.9130 2.9159 3.0299 3.0378 3.7892 3.8028 3.9350 3.9457 4.6570 4.6605 5.1314 5.1352 7.3499 7.3545 8.3381 8.3410 8.6510 8.6568 8.9297 8.9328 9.6507 9.6525 k =-0.2942 0.3680 0.4712 ( 8533 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1844 -36.1843 -36.1839 -36.1838 -36.1559 -36.1559 -36.1556 -36.1556 -6.2950 -6.2948 -5.5711 -5.5703 -4.5888 -4.5877 -4.1164 -4.1134 -1.4240 -1.4199 -0.0115 -0.0107 1.3559 1.3567 1.5935 1.6052 2.0471 2.0474 2.2758 2.2822 2.9197 2.9226 2.9802 2.9889 3.8251 3.8414 3.9020 3.9160 4.6781 4.6819 5.1248 5.1284 7.4007 7.4057 8.3681 8.3701 8.6740 8.6806 9.0227 9.0257 9.5750 9.5779 k =-0.2853 0.3569 0.4569 ( 8531 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4598 -36.4598 -36.1844 -36.1843 -36.1839 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.3234 -6.3233 -5.5307 -5.5298 -4.5865 -4.5854 -4.1080 -4.1048 -1.4716 -1.4676 0.0065 0.0075 1.3223 1.3230 1.6047 1.6165 2.0904 2.0910 2.2491 2.2554 2.9201 2.9259 2.9314 2.9436 3.8457 3.8568 3.8968 3.9063 4.6924 4.6964 5.1132 5.1167 7.4523 7.4577 8.3954 8.3965 8.6906 8.6980 9.1152 9.1178 9.4927 9.4967 k =-0.2764 0.3457 0.4426 ( 8543 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4598 -36.1844 -36.1844 -36.1839 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.3530 -6.3528 -5.4890 -5.4881 -4.5817 -4.5806 -4.0995 -4.0963 -1.5206 -1.5168 0.0204 0.0217 1.2896 1.2902 1.6183 1.6302 2.1297 2.1314 2.2347 2.2403 2.8824 2.8875 2.9277 2.9296 3.8324 3.8331 3.9342 3.9361 4.6996 4.7040 5.0970 5.1003 7.5039 7.5097 8.4221 8.4222 8.7038 8.7119 9.2044 9.2061 9.4059 9.4112 k =-0.2675 0.3346 0.4284 ( 8551 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4598 -36.4597 -36.1845 -36.1844 -36.1838 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.3836 -6.3834 -5.4459 -5.4450 -4.5746 -4.5734 -4.0911 -4.0878 -1.5709 -1.5673 0.0307 0.0322 1.2580 1.2586 1.6339 1.6457 2.1443 2.1483 2.2510 2.2549 2.8372 2.8434 2.9259 2.9270 3.8062 3.8105 3.9763 3.9814 4.6997 4.7043 5.0766 5.0799 7.5551 7.5612 8.4494 8.4503 8.7159 8.7248 9.2626 9.2631 9.3411 9.3489 k =-0.2586 0.3234 0.4141 ( 8551 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4598 -36.4597 -36.1845 -36.1844 -36.1838 -36.1837 -36.1560 -36.1560 -36.1556 -36.1556 -6.4149 -6.4147 -5.4016 -5.4007 -4.5654 -4.5641 -4.0829 -4.0795 -1.6224 -1.6189 0.0380 0.0397 1.2278 1.2283 1.6512 1.6629 2.1337 2.1391 2.2955 2.2988 2.7976 2.8038 2.9216 2.9226 3.7817 3.7876 4.0224 4.0289 4.6927 4.6975 5.0529 5.0561 7.6053 7.6118 8.4798 8.4816 8.7287 8.7382 9.1897 9.1921 9.3997 9.4047 k =-0.2496 0.3123 0.3998 ( 8553 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4598 -36.4597 -36.1845 -36.1844 -36.1838 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4468 -6.4466 -5.3562 -5.3552 -4.5541 -4.5528 -4.0747 -4.0713 -1.6749 -1.6716 0.0429 0.0449 1.1989 1.1995 1.6696 1.6813 2.1161 2.1220 2.3441 2.3481 2.7690 2.7744 2.9151 2.9161 3.7590 3.7657 4.0707 4.0780 4.6785 4.6837 5.0266 5.0300 7.6544 7.6611 8.5148 8.5174 8.7431 8.7532 9.0844 9.0877 9.4815 9.4856 k =-0.2407 0.3011 0.3855 ( 8561 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4598 -36.4597 -36.1845 -36.1845 -36.1838 -36.1837 -36.1561 -36.1561 -36.1555 -36.1555 -6.4791 -6.4789 -5.3096 -5.3086 -4.5411 -4.5398 -4.0667 -4.0633 -1.7283 -1.7252 0.0461 0.0484 1.1717 1.1723 1.6888 1.7004 2.0978 2.1040 2.3810 2.3864 2.7601 2.7642 2.9069 2.9078 3.7375 3.7446 4.1206 4.1286 4.6577 4.6631 4.9989 5.0025 7.7023 7.7090 8.5549 8.5581 8.7594 8.7701 8.9729 8.9764 9.5615 9.5652 k =-0.2318 0.2900 0.3712 ( 8547 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4604 -36.4597 -36.4597 -36.1846 -36.1845 -36.1837 -36.1837 -36.1561 -36.1561 -36.1555 -36.1555 -6.5115 -6.5113 -5.2620 -5.2609 -4.5265 -4.5251 -4.0590 -4.0555 -1.7825 -1.7796 0.0482 0.0507 1.1462 1.1468 1.7083 1.7198 2.0805 2.0869 2.3946 2.4018 2.7802 2.7827 2.8973 2.8982 3.7165 3.7237 4.1718 4.1804 4.6306 4.6362 4.9709 4.9748 7.7488 7.7555 8.5997 8.6034 8.7773 8.7889 8.8589 8.8620 9.6370 9.6405 k =-0.2229 0.2788 0.3570 ( 8545 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4604 -36.4597 -36.4596 -36.1846 -36.1845 -36.1837 -36.1836 -36.1561 -36.1561 -36.1555 -36.1555 -6.5440 -6.5438 -5.2134 -5.2123 -4.5105 -4.5091 -4.0514 -4.0480 -1.8373 -1.8345 0.0497 0.0525 1.1226 1.1232 1.7276 1.7389 2.0645 2.0710 2.3831 2.3916 2.8303 2.8312 2.8871 2.8879 3.6955 3.7025 4.2241 4.2333 4.5977 4.6036 4.9436 4.9481 7.7940 7.8007 8.6450 8.6484 8.7462 8.7505 8.7989 8.8089 9.7065 9.7097 k =-0.2140 0.2677 0.3427 ( 8537 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4604 -36.4597 -36.4596 -36.1846 -36.1845 -36.1837 -36.1836 -36.1561 -36.1561 -36.1555 -36.1555 -6.5763 -6.5761 -5.1639 -5.1628 -4.4934 -4.4919 -4.0441 -4.0407 -1.8926 -1.8900 0.0511 0.0541 1.1009 1.1015 1.7461 1.7573 2.0498 2.0566 2.3539 2.3631 2.8751 2.8765 2.9022 2.9044 3.6738 3.6805 4.2772 4.2872 4.5598 4.5658 4.9183 4.9235 7.8376 7.8441 8.6102 8.6137 8.7203 8.7239 8.8180 8.8292 9.7683 9.7713 k =-0.2051 0.2565 0.3284 ( 8549 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4604 -36.4597 -36.4596 -36.1846 -36.1846 -36.1837 -36.1836 -36.1561 -36.1561 -36.1555 -36.1555 -6.6083 -6.6080 -5.1136 -5.1124 -4.4753 -4.4738 -4.0371 -4.0336 -1.9482 -1.9458 0.0528 0.0562 1.0812 1.0819 1.7634 1.7744 2.0360 2.0431 2.3152 2.3245 2.8653 2.8663 2.9874 2.9884 3.6509 3.6571 4.3310 4.3418 4.5176 4.5239 4.8957 4.9020 7.8781 7.8846 8.5015 8.5053 8.7733 8.7776 8.8367 8.8483 9.8205 9.8234 k =-0.1962 0.2454 0.3141 ( 8551 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4604 -36.4597 -36.4596 -36.1847 -36.1846 -36.1837 -36.1836 -36.1561 -36.1561 -36.1554 -36.1554 -6.6397 -6.6395 -5.0625 -5.0614 -4.4564 -4.4548 -4.0303 -4.0269 -2.0041 -2.0019 0.0553 0.0589 1.0637 1.0644 1.7787 1.7896 2.0224 2.0300 2.2724 2.2815 2.8551 2.8567 3.0805 3.0813 3.6268 3.6321 4.3851 4.3970 4.4722 4.4785 4.8769 4.8845 7.9123 7.9188 8.3963 8.3998 8.8330 8.8358 8.8540 8.8642 9.8592 9.8636 k =-0.1872 0.2342 0.2998 ( 8527 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4604 -36.4596 -36.4595 -36.1847 -36.1846 -36.1836 -36.1835 -36.1561 -36.1561 -36.1554 -36.1554 -6.6706 -6.6704 -5.0109 -5.0097 -4.4369 -4.4354 -4.0239 -4.0205 -2.0602 -2.0582 0.0589 0.0628 1.0484 1.0492 1.7917 1.8025 2.0080 2.0161 2.2290 2.2376 2.8457 2.8480 3.1784 3.1792 3.6013 3.6056 4.4243 4.4308 4.4394 4.4527 4.8625 4.8717 7.9314 7.9380 8.3077 8.3108 8.8594 8.8729 8.8951 8.9009 9.7649 9.7654 k =-0.1783 0.2231 0.2856 ( 8529 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4605 -36.4596 -36.4595 -36.1847 -36.1846 -36.1836 -36.1835 -36.1561 -36.1561 -36.1554 -36.1554 -6.7008 -6.7006 -4.9587 -4.9575 -4.4171 -4.4155 -4.0178 -4.0144 -2.1162 -2.1144 0.0639 0.0680 1.0355 1.0363 1.8018 1.8124 1.9907 1.9998 2.1882 2.1959 2.8371 2.8403 3.2788 3.2796 3.5749 3.5781 4.3754 4.3820 4.4932 4.5083 4.8528 4.8642 7.9184 7.9250 8.2541 8.2568 8.8596 8.8730 8.9550 8.9606 9.6657 9.6670 k =-0.1694 0.2119 0.2713 ( 8521 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4605 -36.4596 -36.4595 -36.1847 -36.1846 -36.1836 -36.1835 -36.1562 -36.1562 -36.1554 -36.1554 -6.7300 -6.7299 -4.9061 -4.9049 -4.3970 -4.3954 -4.0120 -4.0087 -2.1722 -2.1706 0.0704 0.0748 1.0248 1.0257 1.8087 1.8191 1.9679 1.9782 2.1533 2.1599 2.8292 2.8334 3.3799 3.3806 3.5485 3.5501 4.3268 4.3334 4.5463 4.5637 4.8482 4.8622 7.8625 7.8688 8.2470 8.2496 8.8455 8.8589 9.0120 9.0175 9.5785 9.5805 k =-0.1605 0.2007 0.2570 ( 8517 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4605 -36.4596 -36.4595 -36.1847 -36.1846 -36.1835 -36.1835 -36.1562 -36.1562 -36.1554 -36.1554 -6.7584 -6.7582 -4.8533 -4.8521 -4.3769 -4.3753 -4.0065 -4.0033 -2.2280 -2.2265 0.0788 0.0834 1.0166 1.0174 1.8121 1.8223 1.9373 1.9488 2.1271 2.1324 2.8216 2.8269 3.4793 3.4796 3.5231 3.5239 4.2802 4.2869 4.5981 4.6183 4.8488 4.8660 7.7773 7.7830 8.2733 8.2760 8.8140 8.8270 9.0632 9.0684 9.5067 9.5095 k =-0.1516 0.1896 0.2427 ( 8523 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4605 -36.4595 -36.4595 -36.1847 -36.1847 -36.1835 -36.1835 -36.1562 -36.1562 -36.1553 -36.1553 -6.7856 -6.7854 -4.8003 -4.7991 -4.3569 -4.3553 -4.0014 -3.9983 -2.2834 -2.2821 0.0891 0.0939 1.0108 1.0117 1.8117 1.8217 1.8984 1.9108 2.1101 2.1144 2.8137 2.8201 3.4971 3.4971 3.5765 3.5784 4.2383 4.2449 4.6477 4.6713 4.8549 4.8759 7.6795 7.6849 8.3165 8.3192 8.7637 8.7761 9.1051 9.1100 9.4514 9.4550 k =-0.1427 0.1784 0.2285 ( 8523 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4605 -36.4595 -36.4595 -36.1847 -36.1847 -36.1835 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.8117 -6.8115 -4.7473 -4.7461 -4.3372 -4.3356 -3.9967 -3.9936 -2.3384 -2.3372 0.1014 0.1065 1.0075 1.0083 1.8075 1.8172 1.8529 1.8658 2.1006 2.1043 2.8047 2.8123 3.4750 3.4769 3.6646 3.6661 4.2054 4.2117 4.6943 4.7216 4.8669 4.8921 7.5781 7.5831 8.3676 8.3702 8.6966 8.7080 9.1336 9.1380 9.4102 9.4145 k =-0.1337 0.1673 0.2142 ( 8527 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4605 -36.4595 -36.4594 -36.1848 -36.1847 -36.1835 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.8366 -6.8364 -4.6945 -4.6934 -4.3179 -4.3163 -3.9923 -3.9893 -2.3928 -2.3917 0.1160 0.1212 1.0066 1.0075 1.7988 1.8039 1.8078 1.8172 2.0967 2.1000 2.7940 2.8025 3.4574 3.4607 3.7381 3.7391 4.1885 4.1943 4.7367 4.7672 4.8860 4.9148 7.4769 7.4817 8.4224 8.4250 8.6169 8.6273 9.1444 9.1480 9.3785 9.3838 k =-0.1248 0.1561 0.1999 ( 8519 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4595 -36.4594 -36.1848 -36.1847 -36.1835 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.8601 -6.8600 -4.6422 -4.6410 -4.2992 -4.2976 -3.9882 -3.9854 -2.4464 -2.4455 0.1326 0.1381 1.0082 1.0090 1.7500 1.7627 1.7886 1.7978 2.0964 2.0995 2.7808 2.7901 3.4453 3.4498 3.7872 3.7874 4.1973 4.2022 4.7744 4.8059 4.9136 4.9439 7.3781 7.3827 8.4779 8.4808 8.5297 8.5388 9.1350 9.1376 9.3519 9.3583 k =-0.1159 0.1450 0.1856 ( 8519 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4595 -36.4594 -36.1848 -36.1847 -36.1835 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.8823 -6.8822 -4.5904 -4.5893 -4.2811 -4.2796 -3.9845 -3.9818 -2.4990 -2.4982 0.1514 0.1571 1.0123 1.0130 1.6958 1.7085 1.7738 1.7825 2.0987 2.1015 2.7649 2.7748 3.4393 3.4448 3.8056 3.8064 4.2372 4.2407 4.8074 4.8371 4.9495 4.9783 7.2829 7.2872 8.4376 8.4467 8.5331 8.5351 9.1065 9.1083 9.3273 9.3349 k =-0.1070 0.1338 0.1713 ( 8513 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4595 -36.4594 -36.1848 -36.1847 -36.1834 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.9031 -6.9030 -4.5395 -4.5384 -4.2639 -4.2625 -3.9811 -3.9785 -2.5504 -2.5498 0.1722 0.1781 1.0187 1.0194 1.6409 1.6533 1.7560 1.7643 2.1028 2.1054 2.7464 2.7564 3.4396 3.4457 3.7994 3.8011 4.3020 4.3043 4.8365 4.8626 4.9909 5.0164 7.1921 7.1961 8.3459 8.3541 8.5826 8.5846 9.0652 9.0662 9.3032 9.3119 k =-0.0981 0.1227 0.1571 ( 8517 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4595 -36.4594 -36.1848 -36.1847 -36.1834 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.9224 -6.9222 -4.4897 -4.4887 -4.2477 -4.2462 -3.9781 -3.9756 -2.6005 -2.6000 0.1950 0.2010 1.0274 1.0281 1.5858 1.5979 1.7356 1.7433 2.1080 2.1104 2.7257 2.7356 3.4455 3.4519 3.7794 3.7816 4.3808 4.3823 4.8626 4.8849 5.0345 5.0564 7.1064 7.1102 8.2558 8.2632 8.6219 8.6237 9.0208 9.0213 9.2791 9.2891 k =-0.0892 0.1115 0.1428 ( 8513 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1847 -36.1834 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.9401 -6.9400 -4.4415 -4.4405 -4.2324 -4.2311 -3.9754 -3.9731 -2.6488 -2.6484 0.2195 0.2255 1.0383 1.0389 1.5311 1.5429 1.7128 1.7200 2.1139 2.1161 2.7035 2.7131 3.4562 3.4627 3.7535 3.7559 4.4654 4.4664 4.8865 4.9052 5.0780 5.0966 7.0263 7.0298 8.1691 8.1758 8.6420 8.6433 8.9868 8.9869 9.2555 9.2666 k =-0.0802 0.1004 0.1285 ( 8515 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1834 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -6.9563 -6.9562 -4.3951 -4.3941 -4.2183 -4.2170 -3.9730 -3.9709 -2.6951 -2.6948 0.2454 0.2514 1.0512 1.0517 1.4774 1.4887 1.6881 1.6947 2.1201 2.1221 2.6808 2.6897 3.4706 3.4769 3.7258 3.7283 4.5509 4.5515 4.9086 4.9242 5.1201 5.1359 6.9523 6.9555 8.0872 8.0932 8.6331 8.6340 8.9755 8.9763 9.2330 9.2451 k =-0.0713 0.0892 0.1142 ( 8515 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4607 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1834 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -6.9708 -6.9708 -4.3511 -4.3502 -4.2054 -4.2042 -3.9709 -3.9689 -2.7389 -2.7386 0.2724 0.2784 1.0658 1.0662 1.4252 1.4360 1.6621 1.6680 2.1265 2.1283 2.6583 2.6665 3.4873 3.4933 3.6988 3.7012 4.6342 4.6344 4.9290 4.9420 5.1598 5.1732 6.8848 6.8877 8.0111 8.0165 8.5965 8.5971 8.9891 8.9901 9.2125 9.2254 k =-0.0624 0.0781 0.0999 ( 8513 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4607 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1834 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -6.9838 -6.9837 -4.3099 -4.3090 -4.1938 -4.1928 -3.9691 -3.9673 -2.7797 -2.7796 0.2999 0.3057 1.0820 1.0823 1.3753 1.3854 1.6352 1.6405 2.1327 2.1342 2.6370 2.6443 3.5053 3.5108 3.6737 3.6759 4.7129 4.7129 4.9477 4.9584 5.1965 5.2077 6.8242 6.8268 7.9419 7.9466 8.5437 8.5441 9.0176 9.0186 9.1947 9.2083 k =-0.0535 0.0669 0.0857 ( 8525 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4607 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1834 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -6.9950 -6.9949 -4.2721 -4.2714 -4.1836 -4.1827 -3.9675 -3.9660 -2.8171 -2.8170 0.3273 0.3329 1.0992 1.0993 1.3284 1.3377 1.6081 1.6128 2.1384 2.1398 2.6174 2.6238 3.5234 3.5283 3.6513 3.6533 4.7850 4.7853 4.9648 4.9733 5.2295 5.2388 6.7710 6.7733 7.8802 7.8843 8.4856 8.4858 9.0517 9.0524 9.1804 9.1943 k =-0.0446 0.0558 0.0714 ( 8521 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4607 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -7.0046 -7.0045 -4.2384 -4.2378 -4.1748 -4.1740 -3.9662 -3.9649 -2.8504 -2.8504 0.3537 0.3589 1.1168 1.1168 1.2855 1.2938 1.5818 1.5858 2.1436 2.1447 2.6001 2.6055 3.5405 3.5448 3.6320 3.6337 4.8489 4.8495 4.9802 4.9867 5.2584 5.2660 6.7254 6.7273 7.8269 7.8303 8.4289 8.4291 9.0855 9.0855 9.1705 9.1842 k =-0.0357 0.0446 0.0571 ( 8521 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4607 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -7.0124 -7.0124 -4.2095 -4.2090 -4.1675 -4.1669 -3.9651 -3.9641 -2.8790 -2.8790 0.3783 0.3828 1.1340 1.1341 1.2477 1.2549 1.5571 1.5604 2.1481 2.1490 2.5856 2.5899 3.5558 3.5594 3.6160 3.6176 4.9028 4.9038 4.9941 4.9986 5.2828 5.2888 6.6877 6.6892 7.7824 7.7852 8.3780 8.3781 9.1144 9.1159 9.1659 9.1781 k =-0.0267 0.0335 0.0428 ( 8517 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4607 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -7.0185 -7.0185 -4.1861 -4.1857 -4.1617 -4.1612 -3.9643 -3.9635 -2.9021 -2.9021 0.3996 0.4033 1.1497 1.1499 1.2165 1.2222 1.5354 1.5379 2.1517 2.1524 2.5741 2.5774 3.5684 3.5713 3.6037 3.6050 4.9446 4.9461 5.0070 5.0096 5.3024 5.3068 6.6581 6.6593 7.7474 7.7495 8.3357 8.3358 9.1360 9.1408 9.1678 9.1763 k =-0.0178 0.0223 0.0286 ( 8501 PWs) bands (ev): -69.5160 -69.5160 -69.5158 -69.5158 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1563 -36.1563 -36.1553 -36.1553 -7.0229 -7.0229 -4.1688 -4.1686 -4.1574 -4.1571 -3.9637 -3.9631 -2.9192 -2.9192 0.4165 0.4191 1.1626 1.1629 1.1930 1.1971 1.5182 1.5199 2.1544 2.1548 2.5660 2.5682 3.5776 3.5798 3.5953 3.5964 4.9727 4.9744 5.0193 5.0202 5.3168 5.3197 6.6369 6.6377 7.7222 7.7236 8.3041 8.3042 9.1494 9.1581 9.1758 9.1786 k =-0.0089 0.0112 0.0143 ( 8483 PWs) bands (ev): -69.5160 -69.5160 -69.5158 -69.5158 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1562 -36.1562 -36.1553 -36.1553 -7.0255 -7.0255 -4.1587 -4.1586 -4.1543 -4.1542 -3.9632 -3.9630 -2.9297 -2.9297 0.4275 0.4289 1.1711 1.1715 1.1789 1.1812 1.5071 1.5080 2.1561 2.1563 2.5612 2.5623 3.5823 3.5834 3.5917 3.5922 4.9874 4.9887 5.0294 5.0295 5.3258 5.3272 6.6242 6.6246 7.7070 7.7077 8.2846 8.2846 9.1585 9.1659 9.1840 9.1840 k = 0.0000 0.0000 0.0000 ( 8483 PWs) bands (ev): -69.5160 -69.5160 -69.5158 -69.5158 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1562 -36.1562 -36.1553 -36.1553 -7.0264 -7.0264 -4.1560 -4.1560 -4.1525 -4.1525 -3.9630 -3.9630 -2.9332 -2.9332 0.4318 0.4318 1.1731 1.1731 1.1761 1.1761 1.5035 1.5035 2.1567 2.1567 2.5600 2.5600 3.5833 3.5833 3.5916 3.5916 4.9923 4.9923 5.0334 5.0334 5.3293 5.3293 6.6201 6.6201 7.7022 7.7022 8.2780 8.2780 9.1650 9.1650 9.1871 9.1871 k = 0.0000 0.0000 0.0000 ( 8483 PWs) bands (ev): -69.5160 -69.5160 -69.5158 -69.5158 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1562 -36.1562 -36.1553 -36.1553 -7.0264 -7.0264 -4.1560 -4.1560 -4.1525 -4.1525 -3.9630 -3.9630 -2.9332 -2.9332 0.4318 0.4318 1.1731 1.1731 1.1761 1.1761 1.5035 1.5035 2.1567 2.1567 2.5600 2.5600 3.5833 3.5833 3.5916 3.5916 4.9923 4.9923 5.0334 5.0334 5.3293 5.3293 6.6201 6.6201 7.7022 7.7022 8.2780 8.2780 9.1650 9.1650 9.1871 9.1871 k = 0.0156 0.0125 0.0000 ( 8483 PWs) bands (ev): -69.5160 -69.5160 -69.5158 -69.5158 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1562 -36.1562 -36.1553 -36.1553 -7.0254 -7.0254 -4.1562 -4.1562 -4.1527 -4.1527 -3.9711 -3.9711 -2.9250 -2.9250 0.4275 0.4275 1.1745 1.1745 1.1775 1.1775 1.5089 1.5089 2.1540 2.1540 2.5636 2.5636 3.5842 3.5842 3.5924 3.5924 4.9900 4.9900 5.0311 5.0311 5.3223 5.3223 6.6239 6.6239 7.7033 7.7033 8.2844 8.2844 9.1648 9.1648 9.1870 9.1870 k = 0.0312 0.0250 0.0000 ( 8483 PWs) bands (ev): -69.5160 -69.5160 -69.5158 -69.5158 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1562 -36.1562 -36.1553 -36.1553 -7.0225 -7.0225 -4.1568 -4.1568 -4.1534 -4.1534 -3.9946 -3.9946 -2.9010 -2.9010 0.4149 0.4149 1.1788 1.1788 1.1817 1.1817 1.5249 1.5249 2.1461 2.1461 2.5740 2.5740 3.5866 3.5866 3.5949 3.5949 4.9832 4.9832 5.0242 5.0242 5.3018 5.3018 6.6351 6.6351 7.7065 7.7065 8.3034 8.3034 9.1638 9.1638 9.1862 9.1862 k = 0.0469 0.0375 0.0000 ( 8495 PWs) bands (ev): -69.5160 -69.5160 -69.5158 -69.5158 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1562 -36.1562 -36.1553 -36.1553 -7.0175 -7.0175 -4.1579 -4.1579 -4.1545 -4.1545 -4.0316 -4.0316 -2.8633 -2.8633 0.3947 0.3947 1.1858 1.1858 1.1887 1.1887 1.5506 1.5506 2.1340 2.1340 2.5904 2.5904 3.5907 3.5907 3.5990 3.5990 4.9720 4.9720 5.0128 5.0128 5.2683 5.2683 6.6537 6.6537 7.7118 7.7118 8.3335 8.3335 9.1586 9.1586 9.1839 9.1839 k = 0.0625 0.0500 0.0000 ( 8491 PWs) bands (ev): -69.5160 -69.5160 -69.5158 -69.5158 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1562 -36.1562 -36.1553 -36.1553 -7.0106 -7.0106 -4.1594 -4.1594 -4.1560 -4.1560 -4.0795 -4.0795 -2.8144 -2.8144 0.3680 0.3680 1.1956 1.1956 1.1984 1.1984 1.5851 1.5851 2.1186 2.1186 2.6118 2.6118 3.5963 3.5963 3.6046 3.6046 4.9566 4.9566 4.9971 4.9971 5.2229 5.2229 6.6796 6.6796 7.7192 7.7192 8.3723 8.3723 9.1259 9.1259 9.1644 9.1644 k = 0.0781 0.0625 0.0000 ( 8495 PWs) bands (ev): -69.5160 -69.5160 -69.5158 -69.5158 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1562 -36.1562 -36.1553 -36.1553 -7.0017 -7.0017 -4.1613 -4.1613 -4.1579 -4.1579 -4.1359 -4.1359 -2.7567 -2.7567 0.3358 0.3358 1.2081 1.2081 1.2108 1.2108 1.6270 1.6270 2.1012 2.1012 2.6371 2.6371 3.6033 3.6033 3.6116 3.6116 4.9372 4.9372 4.9776 4.9776 5.1670 5.1670 6.7128 6.7128 7.7286 7.7286 8.4156 8.4156 9.0734 9.0734 9.1538 9.1538 k = 0.0938 0.0749 0.0000 ( 8495 PWs) bands (ev): -69.5160 -69.5160 -69.5158 -69.5158 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1833 -36.1833 -36.1562 -36.1562 -36.1553 -36.1553 -6.9908 -6.9908 -4.1988 -4.1988 -4.1634 -4.1634 -4.1602 -4.1602 -2.6925 -2.6925 0.2994 0.2994 1.2233 1.2233 1.2259 1.2259 1.6751 1.6751 2.0827 2.0827 2.6654 2.6654 3.6117 3.6117 3.6199 3.6199 4.9142 4.9142 4.9544 4.9544 5.1018 5.1018 6.7531 6.7531 7.7398 7.7398 8.4567 8.4567 9.0232 9.0232 9.1378 9.1378 k = 0.1094 0.0874 0.0000 ( 8511 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1834 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.9780 -6.9780 -4.2663 -4.2663 -4.1660 -4.1660 -4.1628 -4.1628 -2.6234 -2.6234 0.2596 0.2596 1.2410 1.2410 1.2435 1.2435 1.7285 1.7285 2.0639 2.0639 2.6961 2.6961 3.6211 3.6211 3.6293 3.6293 4.8876 4.8876 4.9281 4.9281 5.0292 5.0292 6.8003 6.8003 7.7529 7.7529 8.4846 8.4846 8.9883 8.9883 9.1127 9.1127 k = 0.1250 0.0999 0.0000 ( 8519 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4594 -36.4594 -36.1848 -36.1848 -36.1834 -36.1834 -36.1562 -36.1562 -36.1553 -36.1553 -6.9632 -6.9632 -4.3372 -4.3372 -4.1690 -4.1690 -4.1658 -4.1658 -2.5508 -2.5508 0.2174 0.2174 1.2613 1.2613 1.2637 1.2637 1.7860 1.7860 2.0455 2.0455 2.7286 2.7286 3.6314 3.6314 3.6395 3.6395 4.8574 4.8574 4.8992 4.8992 4.9510 4.9510 6.8542 6.8542 7.7675 7.7675 8.4863 8.4863 8.9825 8.9825 9.0759 9.0759 k = 0.1406 0.1124 0.0000 ( 8563 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4595 -36.4595 -36.1848 -36.1848 -36.1834 -36.1834 -36.1563 -36.1563 -36.1553 -36.1553 -6.9465 -6.9465 -4.4105 -4.4105 -4.1722 -4.1722 -4.1691 -4.1691 -2.4756 -2.4756 0.1734 0.1734 1.2839 1.2839 1.2862 1.2862 1.8467 1.8467 2.0281 2.0281 2.7624 2.7624 3.6423 3.6423 3.6503 3.6503 4.8201 4.8201 4.8683 4.8683 4.8727 4.8727 6.9146 6.9146 7.7835 7.7835 8.4553 8.4553 9.0110 9.0110 9.0270 9.0270 k = 0.1562 0.1249 0.0000 ( 8559 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4595 -36.4595 -36.1848 -36.1848 -36.1834 -36.1834 -36.1563 -36.1563 -36.1553 -36.1553 -6.9278 -6.9278 -4.4856 -4.4856 -4.1756 -4.1756 -4.1727 -4.1727 -2.3988 -2.3988 0.1281 0.1281 1.3089 1.3089 1.3110 1.3110 1.9097 1.9097 2.0122 2.0122 2.7972 2.7972 3.6535 3.6535 3.6614 3.6614 4.7576 4.7576 4.8139 4.8139 4.8360 4.8360 6.9813 6.9813 7.8007 7.8007 8.3982 8.3982 8.9616 8.9616 8.9688 8.9688 k = 0.1719 0.1374 0.0000 ( 8551 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4595 -36.4595 -36.1847 -36.1847 -36.1835 -36.1835 -36.1563 -36.1563 -36.1553 -36.1553 -6.9072 -6.9072 -4.5617 -4.5617 -4.1793 -4.1793 -4.1764 -4.1764 -2.3208 -2.3208 0.0820 0.0820 1.3361 1.3361 1.3380 1.3380 1.9726 1.9726 2.0002 2.0002 2.8328 2.8328 3.6645 3.6645 3.6723 3.6723 4.6709 4.6709 4.7756 4.7756 4.8031 4.8031 7.0539 7.0539 7.8187 7.8187 8.3251 8.3251 8.8858 8.8858 8.8915 8.8915 k = 0.1875 0.1499 0.0000 ( 8551 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4595 -36.4595 -36.1847 -36.1847 -36.1835 -36.1835 -36.1562 -36.1562 -36.1554 -36.1554 -6.8847 -6.8847 -4.6386 -4.6386 -4.1832 -4.1832 -4.1804 -4.1804 -2.2423 -2.2423 0.0354 0.0354 1.3652 1.3652 1.3670 1.3670 1.9835 1.9835 2.0435 2.0435 2.8689 2.8689 3.6749 3.6749 3.6825 3.6825 4.5772 4.5772 4.7420 4.7420 4.7703 4.7703 7.1322 7.1322 7.8372 7.8372 8.2437 8.2437 8.7995 8.7995 8.8040 8.8040 k = 0.2031 0.1624 0.0000 ( 8543 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4606 -36.4606 -36.4595 -36.4595 -36.1847 -36.1847 -36.1835 -36.1835 -36.1562 -36.1562 -36.1554 -36.1554 -6.8602 -6.8602 -4.7158 -4.7158 -4.1872 -4.1872 -4.1845 -4.1845 -2.1635 -2.1635 -0.0114 -0.0114 1.3962 1.3962 1.3979 1.3979 1.9743 1.9743 2.1099 2.1099 2.9053 2.9053 3.6842 3.6842 3.6914 3.6914 4.4810 4.4810 4.7106 4.7106 4.7385 4.7385 7.2157 7.2157 7.8556 7.8556 8.1583 8.1583 8.7052 8.7052 8.7088 8.7088 k = 0.2188 0.1749 0.0000 ( 8543 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4605 -36.4595 -36.4595 -36.1847 -36.1847 -36.1835 -36.1835 -36.1562 -36.1562 -36.1554 -36.1554 -6.8338 -6.8338 -4.7931 -4.7931 -4.1913 -4.1913 -4.1887 -4.1887 -2.0850 -2.0850 -0.0582 -0.0582 1.4290 1.4290 1.4304 1.4304 1.9673 1.9673 2.1770 2.1770 2.9419 2.9419 3.6916 3.6916 3.6985 3.6985 4.3836 4.3836 4.6817 4.6817 4.7087 4.7087 7.3038 7.3038 7.8734 7.8734 8.0718 8.0718 8.6050 8.6050 8.6079 8.6079 k = 0.2344 0.1874 0.0000 ( 8551 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4605 -36.4596 -36.4596 -36.1846 -36.1846 -36.1836 -36.1836 -36.1562 -36.1562 -36.1554 -36.1554 -6.8056 -6.8056 -4.8703 -4.8703 -4.1955 -4.1955 -4.1930 -4.1930 -2.0069 -2.0069 -0.1049 -0.1049 1.4632 1.4632 1.4645 1.4645 1.9631 1.9631 2.2435 2.2435 2.9784 2.9784 3.6965 3.6965 3.7030 3.7030 4.2859 4.2859 4.6558 4.6558 4.6816 4.6816 7.3960 7.3960 7.8902 7.8902 7.9858 7.9858 8.5009 8.5009 8.5034 8.5034 k = 0.2500 0.1999 0.0000 ( 8567 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4605 -36.4596 -36.4596 -36.1846 -36.1846 -36.1836 -36.1836 -36.1562 -36.1562 -36.1554 -36.1554 -6.7754 -6.7754 -4.9471 -4.9471 -4.1997 -4.1997 -4.1973 -4.1973 -1.9296 -1.9296 -0.1515 -0.1515 1.4987 1.4987 1.4998 1.4998 1.9619 1.9619 2.3090 2.3090 3.0147 3.0147 3.6984 3.6984 3.7042 3.7042 4.1888 4.1888 4.6339 4.6339 4.6581 4.6581 7.4909 7.4909 7.9007 7.9007 7.9065 7.9065 8.3947 8.3947 8.3968 8.3968 k = 0.2656 0.2124 0.0000 ( 8571 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4605 -36.4596 -36.4596 -36.1846 -36.1846 -36.1836 -36.1836 -36.1562 -36.1562 -36.1554 -36.1554 -6.7434 -6.7434 -5.0235 -5.0235 -4.2038 -4.2038 -4.2016 -4.2016 -1.8532 -1.8532 -0.1979 -0.1979 1.5353 1.5353 1.5362 1.5362 1.9642 1.9642 2.3725 2.3725 3.0506 3.0506 3.6964 3.6964 3.7017 3.7017 4.0930 4.0930 4.6166 4.6166 4.6392 4.6392 7.5864 7.5864 7.8202 7.8202 7.9202 7.9202 8.2879 8.2879 8.2898 8.2898 k = 0.2812 0.2248 0.0000 ( 8603 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4605 -36.4597 -36.4597 -36.1846 -36.1846 -36.1837 -36.1837 -36.1562 -36.1562 -36.1555 -36.1555 -6.7095 -6.7095 -5.0992 -5.0992 -4.2080 -4.2080 -4.2059 -4.2059 -1.7779 -1.7779 -0.2440 -0.2440 1.5726 1.5726 1.5735 1.5735 1.9699 1.9699 2.4334 2.4334 3.0860 3.0860 3.6903 3.6903 3.6949 3.6949 3.9993 3.9993 4.6045 4.6045 4.6252 4.6252 7.6771 7.6771 7.7424 7.7424 7.9374 7.9374 8.1818 8.1818 8.1834 8.1834 k = 0.2969 0.2373 0.0000 ( 8595 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4605 -36.4605 -36.4597 -36.4597 -36.1846 -36.1846 -36.1837 -36.1837 -36.1561 -36.1561 -36.1555 -36.1555 -6.6737 -6.6737 -5.1742 -5.1742 -4.2120 -4.2120 -4.2100 -4.2100 -1.7039 -1.7039 -0.2898 -0.2898 1.6105 1.6105 1.6112 1.6112 1.9793 1.9793 2.4907 2.4907 3.1205 3.1205 3.6798 3.6798 3.6838 3.6838 3.9086 3.9086 4.5979 4.5979 4.6167 4.6167 7.6686 7.6686 7.7503 7.7503 7.9684 7.9684 8.0773 8.0773 8.0788 8.0788 k = 0.3125 0.2498 0.0000 ( 8575 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4604 -36.4597 -36.4597 -36.1845 -36.1845 -36.1837 -36.1837 -36.1561 -36.1561 -36.1555 -36.1555 -6.6362 -6.6362 -5.2485 -5.2485 -4.2159 -4.2159 -4.2140 -4.2140 -1.6315 -1.6315 -0.3354 -0.3354 1.6484 1.6484 1.6492 1.6492 1.9926 1.9926 2.5433 2.5433 3.1540 3.1540 3.6648 3.6648 3.6686 3.6686 3.8219 3.8219 4.5967 4.5967 4.6136 4.6136 7.5999 7.5999 7.7867 7.7867 7.9754 7.9754 7.9769 7.9769 8.0307 8.0307 k = 0.3281 0.2623 0.0000 ( 8564 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4604 -36.4597 -36.4597 -36.1845 -36.1845 -36.1837 -36.1837 -36.1561 -36.1561 -36.1555 -36.1555 -6.5968 -6.5968 -5.3217 -5.3217 -4.2196 -4.2196 -4.2179 -4.2179 -1.5606 -1.5606 -0.3809 -0.3809 1.6862 1.6862 1.6870 1.6870 2.0097 2.0097 2.5899 2.5899 3.1863 3.1863 3.6455 3.6455 3.6495 3.6495 3.7406 3.7406 4.6007 4.6007 4.6157 4.6157 7.5366 7.5366 7.7866 7.7866 7.8774 7.8774 7.8787 7.8787 8.1230 8.1230 k = 0.3438 0.2748 0.0000 ( 8572 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4604 -36.4598 -36.4598 -36.1845 -36.1845 -36.1838 -36.1838 -36.1561 -36.1561 -36.1555 -36.1555 -6.5556 -6.5556 -5.3941 -5.3941 -4.2231 -4.2231 -4.2215 -4.2215 -1.4914 -1.4914 -0.4262 -0.4262 1.7235 1.7235 1.7243 1.7243 2.0308 2.0308 2.6289 2.6289 3.2171 3.2171 3.6217 3.6217 3.6274 3.6274 3.6670 3.6670 4.6091 4.6091 4.6223 4.6223 7.4792 7.4792 7.7637 7.7637 7.7838 7.7838 7.7850 7.7850 8.2313 8.2313 k = 0.3594 0.2873 0.0000 ( 8564 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4604 -36.4604 -36.4598 -36.4598 -36.1845 -36.1845 -36.1838 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.5127 -6.5127 -5.4653 -5.4653 -4.2263 -4.2263 -4.2250 -4.2250 -1.4239 -1.4239 -0.4715 -0.4715 1.7597 1.7597 1.7606 1.7606 2.0558 2.0558 2.6586 2.6586 3.2460 3.2460 3.5862 3.5862 3.6029 3.6029 3.6109 3.6109 4.6212 4.6212 4.6326 4.6326 7.4284 7.4284 7.6955 7.6955 7.6964 7.6964 7.7275 7.7275 8.3475 8.3475 k = 0.3750 0.2998 0.0000 ( 8568 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4598 -36.1844 -36.1844 -36.1838 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.4680 -6.4680 -5.5354 -5.5354 -4.2293 -4.2293 -4.2281 -4.2281 -1.3583 -1.3583 -0.5169 -0.5169 1.7944 1.7944 1.7953 1.7953 2.0849 2.0849 2.6772 2.6772 3.2730 3.2730 3.5346 3.5346 3.5769 3.5769 3.5792 3.5792 4.6360 4.6360 4.6458 4.6458 7.3845 7.3845 7.6133 7.6133 7.6142 7.6142 7.6823 7.6823 8.4678 8.4678 k = 0.3906 0.3123 0.0000 ( 8572 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4598 -36.1844 -36.1844 -36.1839 -36.1839 -36.1560 -36.1560 -36.1556 -36.1556 -6.4216 -6.4216 -5.6044 -5.6044 -4.2320 -4.2320 -4.2309 -4.2309 -1.2946 -1.2946 -0.5625 -0.5625 1.8271 1.8271 1.8280 1.8280 2.1178 2.1178 2.6832 2.6832 3.2976 3.2976 3.4889 3.4889 3.5506 3.5506 3.5524 3.5524 4.6524 4.6524 4.6607 4.6607 7.3481 7.3481 7.5382 7.5382 7.5390 7.5390 7.6319 7.6319 8.5902 8.5902 k = 0.4062 0.3248 0.0000 ( 8596 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4603 -36.4599 -36.4599 -36.1844 -36.1844 -36.1839 -36.1839 -36.1560 -36.1560 -36.1557 -36.1557 -6.3734 -6.3734 -5.6721 -5.6721 -4.2344 -4.2344 -4.2335 -4.2335 -1.2327 -1.2327 -0.6084 -0.6084 1.8572 1.8572 1.8581 1.8581 2.1545 2.1545 2.6758 2.6758 3.3197 3.3197 3.4538 3.4538 3.5252 3.5252 3.5269 3.5269 4.6694 4.6694 4.6763 4.6763 7.3194 7.3194 7.4709 7.4709 7.4715 7.4715 7.5791 7.5791 8.7134 8.7134 k = 0.4219 0.3373 0.0000 ( 8576 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4602 -36.4599 -36.4599 -36.1843 -36.1843 -36.1839 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.3236 -6.3236 -5.7385 -5.7385 -4.2364 -4.2364 -4.2357 -4.2357 -1.1726 -1.1726 -0.6547 -0.6547 1.8841 1.8841 1.8850 1.8850 2.1947 2.1947 2.6555 2.6555 3.3390 3.3390 3.4293 3.4293 3.5018 3.5018 3.5033 3.5033 4.6859 4.6859 4.6915 4.6915 7.2989 7.2989 7.4122 7.4122 7.4127 7.4127 7.5264 7.5264 8.8360 8.8360 k = 0.4375 0.3498 0.0000 ( 8580 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4602 -36.4599 -36.4599 -36.1843 -36.1843 -36.1840 -36.1840 -36.1559 -36.1559 -36.1557 -36.1557 -6.2721 -6.2721 -5.8037 -5.8037 -4.2381 -4.2381 -4.2375 -4.2375 -1.1144 -1.1144 -0.7016 -0.7016 1.9073 1.9073 1.9080 1.9080 2.2383 2.2383 2.6240 2.6240 3.3553 3.3553 3.4136 3.4136 3.4812 3.4812 3.4825 3.4825 4.7010 4.7010 4.7054 4.7054 7.2867 7.2867 7.3629 7.3629 7.3633 7.3633 7.4757 7.4757 8.9565 8.9565 k = 0.4531 0.3623 0.0000 ( 8596 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4602 -36.4600 -36.4600 -36.1843 -36.1843 -36.1840 -36.1840 -36.1559 -36.1559 -36.1557 -36.1557 -6.2189 -6.2189 -5.8674 -5.8674 -4.2394 -4.2394 -4.2390 -4.2390 -1.0578 -1.0578 -0.7491 -0.7491 1.9260 1.9260 1.9266 1.9266 2.2849 2.2849 2.5839 2.5839 3.3685 3.3685 3.4044 3.4044 3.4643 3.4643 3.4652 3.4652 4.7139 4.7139 4.7171 4.7171 7.2830 7.2830 7.3237 7.3237 7.3240 7.3240 7.4287 7.4287 9.0733 9.0733 k = 0.4688 0.3747 0.0000 ( 8604 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4602 -36.4600 -36.4600 -36.1843 -36.1843 -36.1841 -36.1841 -36.1559 -36.1559 -36.1558 -36.1558 -6.1642 -6.1642 -5.9297 -5.9297 -4.2403 -4.2403 -4.2400 -4.2400 -1.0029 -1.0029 -0.7976 -0.7976 1.9399 1.9399 1.9403 1.9403 2.3339 2.3339 2.5378 2.5378 3.3787 3.3787 3.3990 3.3990 3.4518 3.4518 3.4523 3.4523 4.7238 4.7238 4.7259 4.7259 7.2876 7.2876 7.2954 7.2954 7.2955 7.2955 7.3868 7.3868 9.1844 9.1844 k = 0.4844 0.3872 0.0000 ( 8596 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1559 -36.1559 -36.1558 -36.1558 -6.1079 -6.1079 -5.9906 -5.9906 -4.2409 -4.2409 -4.2407 -4.2407 -0.9496 -0.9496 -0.8471 -0.8471 1.9484 1.9484 1.9487 1.9487 2.3847 2.3847 2.4879 2.4879 3.3861 3.3861 3.3952 3.3952 3.4441 3.4441 3.4443 3.4443 4.7302 4.7302 4.7313 4.7313 7.2779 7.2779 7.2781 7.2781 7.3010 7.3010 7.3510 7.3510 9.2882 9.2882 k = 0.5000 0.3997 0.0000 ( 8596 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1841 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0500 -6.0500 -6.0500 -6.0500 -4.2410 -4.2410 -4.2410 -4.2410 -0.8977 -0.8977 -0.8977 -0.8977 1.9514 1.9514 1.9514 1.9514 2.4364 2.4364 2.4364 2.4364 3.3913 3.3913 3.3913 3.3913 3.4416 3.4416 3.4416 3.4416 4.7327 4.7327 4.7327 4.7327 7.2722 7.2722 7.2722 7.2722 7.3222 7.3222 7.3222 7.3222 9.3846 9.3846 k = 0.5000 0.3997 0.0000 ( 8596 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1841 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0500 -6.0500 -6.0500 -6.0500 -4.2410 -4.2410 -4.2410 -4.2410 -0.8977 -0.8977 -0.8977 -0.8977 1.9514 1.9514 1.9514 1.9514 2.4364 2.4364 2.4364 2.4364 3.3913 3.3913 3.3913 3.3913 3.4416 3.4416 3.4416 3.4416 4.7327 4.7327 4.7327 4.7327 7.2722 7.2722 7.2722 7.2722 7.3222 7.3222 7.3222 7.3222 9.3846 9.3846 k = 0.4910 0.4109 0.0143 ( 8590 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1841 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0502 -6.0502 -6.0491 -6.0490 -4.2429 -4.2429 -4.2408 -4.2406 -0.8987 -0.8983 -0.8943 -0.8942 1.9457 1.9484 1.9499 1.9501 2.4311 2.4312 2.4393 2.4416 3.3556 3.3587 3.3923 3.3936 3.4426 3.4427 3.4751 3.4776 4.7298 4.7299 4.7343 4.7349 7.2381 7.2399 7.2756 7.2759 7.3267 7.3271 7.3581 7.3602 9.3864 9.3871 k = 0.4821 0.4221 0.0287 ( 8586 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1841 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0507 -6.0507 -6.0463 -6.0462 -4.2486 -4.2486 -4.2400 -4.2397 -0.9014 -0.9006 -0.8840 -0.8839 1.9322 1.9376 1.9451 1.9457 2.4160 2.4162 2.4496 2.4541 3.3049 3.3085 3.3937 3.3961 3.4484 3.4485 3.5273 3.5297 4.7211 4.7213 4.7398 4.7410 7.1922 7.1939 7.2862 7.2866 7.3407 7.3413 7.4152 7.4177 9.3927 9.3943 k = 0.4731 0.4333 0.0430 ( 8582 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1842 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0517 -6.0516 -6.0416 -6.0415 -4.2579 -4.2579 -4.2386 -4.2381 -0.9057 -0.9046 -0.8670 -0.8668 1.9122 1.9198 1.9373 1.9383 2.3921 2.3923 2.4664 2.4726 3.2522 3.2561 3.3963 3.3999 3.4567 3.4569 3.5830 3.5852 4.7069 4.7071 4.7491 4.7509 7.1493 7.1507 7.3037 7.3044 7.3639 7.3648 7.4770 7.4796 9.4032 9.4061 k = 0.4642 0.4445 0.0574 ( 8580 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1842 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0530 -6.0530 -6.0350 -6.0348 -4.2706 -4.2705 -4.2366 -4.2360 -0.9118 -0.9103 -0.8436 -0.8434 1.8873 1.8966 1.9265 1.9279 2.3609 2.3612 2.4882 2.4956 3.1986 3.2028 3.4004 3.4050 3.4658 3.4662 3.6412 3.6433 4.6874 4.6876 4.7620 4.7643 7.1108 7.1121 7.3282 7.3291 7.3962 7.3973 7.5418 7.5446 9.4162 9.4195 k = 0.4552 0.4557 0.0717 ( 8584 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1842 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0549 -6.0549 -6.0265 -6.0263 -4.2864 -4.2863 -4.2341 -4.2333 -0.9197 -0.9178 -0.8142 -0.8139 1.8590 1.8698 1.9129 1.9146 2.3242 2.3245 2.5135 2.5218 3.1442 3.1487 3.4059 3.4115 3.4740 3.4747 3.7019 3.7038 4.6628 4.6632 4.7783 4.7811 7.0776 7.0786 7.3594 7.3606 7.4370 7.4384 7.6088 7.6117 9.4329 9.4369 k = 0.4463 0.4669 0.0860 ( 8588 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0573 -6.0573 -6.0162 -6.0160 -4.3048 -4.3046 -4.2310 -4.2300 -0.9293 -0.9271 -0.7792 -0.7789 1.8288 1.8407 1.8964 1.8984 2.2836 2.2839 2.5412 2.5500 3.0894 3.0940 3.4129 3.4195 3.4799 3.4809 3.7648 3.7666 4.6336 4.6342 4.7978 4.8011 7.0498 7.0505 7.3972 7.3986 7.4861 7.4877 7.6776 7.6807 9.4523 9.4571 k = 0.4373 0.4781 0.1004 ( 8576 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0604 -6.0604 -6.0040 -6.0037 -4.3254 -4.3252 -4.2273 -4.2262 -0.9409 -0.9384 -0.7393 -0.7389 1.7976 1.8104 1.8773 1.8796 2.2406 2.2410 2.5702 2.5792 3.0342 3.0390 3.4216 3.4290 3.4824 3.4837 3.8297 3.8313 4.6003 4.6011 4.8201 4.8238 7.0278 7.0282 7.4413 7.4430 7.5430 7.5447 7.7479 7.7512 9.4742 9.4804 k = 0.4284 0.4893 0.1147 ( 8582 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0644 -6.0643 -5.9900 -5.9897 -4.3477 -4.3475 -4.2231 -4.2219 -0.9545 -0.9516 -0.6949 -0.6945 1.7665 1.7800 1.8557 1.8582 2.1967 2.1972 2.5998 2.6090 2.9788 2.9838 3.4320 3.4402 3.4807 3.4824 3.8959 3.8975 4.5634 4.5644 4.8449 4.8490 7.0117 7.0119 7.4914 7.4934 7.6070 7.6089 7.8193 7.8227 9.4984 9.5027 k = 0.4194 0.5005 0.1290 ( 8576 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0692 -6.0692 -5.9741 -5.9738 -4.3713 -4.3711 -4.2185 -4.2171 -0.9701 -0.9669 -0.6467 -0.6463 1.7360 1.7502 1.8316 1.8344 2.1531 2.1536 2.6295 2.6387 2.9235 2.9287 3.4442 3.4531 3.4745 3.4766 3.9630 3.9646 4.5232 4.5245 4.8718 4.8761 7.0016 7.0018 7.5471 7.5493 7.6776 7.6796 7.8915 7.8950 9.5198 9.5246 k = 0.4105 0.5117 0.1434 ( 8570 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0751 -6.0751 -5.9564 -5.9560 -4.3956 -4.3953 -4.2133 -4.2118 -0.9879 -0.9844 -0.5955 -0.5951 1.7068 1.7215 1.8054 1.8085 2.1108 2.1113 2.6590 2.6680 2.8686 2.8739 3.4582 3.4635 3.4659 3.4679 4.0303 4.0320 4.4804 4.4820 4.9001 4.9047 6.9975 6.9979 7.6077 7.6102 7.7541 7.7561 7.9643 7.9680 9.5344 9.5394 k = 0.4015 0.5229 0.1577 ( 8560 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1558 -36.1557 -6.0821 -6.0821 -5.9369 -5.9365 -4.4201 -4.4197 -4.2077 -4.2060 -1.0078 -1.0042 -0.5421 -0.5416 1.6794 1.6946 1.7773 1.7806 2.0708 2.0714 2.6878 2.6966 2.8141 2.8196 3.4475 3.4505 3.4746 3.4844 4.0974 4.0991 4.4355 4.4374 4.9294 4.9341 6.9993 7.0000 7.6728 7.6756 7.8356 7.8377 8.0376 8.0414 9.5461 9.5512 k = 0.3926 0.5341 0.1721 ( 8557 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -6.0905 -6.0905 -5.9156 -5.9152 -4.4442 -4.4439 -4.2017 -4.1998 -1.0301 -1.0262 -0.4871 -0.4867 1.6541 1.6697 1.7475 1.7510 2.0341 2.0347 2.7158 2.7242 2.7606 2.7661 3.4269 3.4304 3.4928 3.5031 4.1636 4.1653 4.3889 4.3913 4.9590 4.9639 7.0071 7.0082 7.7414 7.7446 7.9214 7.9236 8.1113 8.1152 9.5541 9.5595 k = 0.3836 0.5453 0.1864 ( 8547 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -6.1004 -6.1003 -5.8925 -5.8921 -4.4677 -4.4672 -4.1952 -4.1932 -1.0546 -1.0506 -0.4315 -0.4311 1.6310 1.6471 1.7164 1.7202 2.0014 2.0020 2.7074 2.7129 2.7435 2.7513 3.4017 3.4057 3.5132 3.5237 4.2282 4.2300 4.3413 4.3441 4.9883 4.9933 7.0207 7.0221 7.8127 7.8161 8.0104 8.0126 8.1854 8.1894 9.5580 9.5637 k = 0.3747 0.5565 0.2007 ( 8549 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -6.1118 -6.1118 -5.8677 -5.8672 -4.4899 -4.4894 -4.1884 -4.1863 -1.0815 -1.0774 -0.3761 -0.3757 1.6102 1.6267 1.6844 1.6886 1.9737 1.9743 2.6560 2.6617 2.7691 2.7766 3.3723 3.3768 3.5357 3.5465 4.2854 4.2874 4.2984 4.3016 5.0167 5.0216 7.0399 7.0415 7.8854 7.8891 8.1013 8.1035 8.2602 8.2642 9.5579 9.5638 k = 0.3657 0.5677 0.2151 ( 8545 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -6.1250 -6.1249 -5.8412 -5.8406 -4.5105 -4.5099 -4.1813 -4.1790 -1.1108 -1.1065 -0.3218 -0.3214 1.5913 1.6080 1.6528 1.6570 1.9518 1.9524 2.6058 2.6116 2.7937 2.8006 3.3390 3.3439 3.5604 3.5713 4.2434 4.2471 4.3520 4.3542 5.0434 5.0483 7.0644 7.0663 7.9580 7.9621 8.1925 8.1948 8.3359 8.3399 9.5549 9.5610 k = 0.3568 0.5789 0.2294 ( 8541 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1840 -36.1840 -36.1559 -36.1558 -36.1557 -36.1557 -6.1399 -6.1399 -5.8130 -5.8124 -4.5292 -4.5286 -4.1738 -4.1715 -1.1425 -1.1381 -0.2693 -0.2690 1.5729 1.5885 1.6242 1.6273 1.9363 1.9369 2.5571 2.5631 2.8167 2.8231 3.3021 3.3075 3.5872 3.5983 4.1952 4.1995 4.4089 4.4112 5.0677 5.0725 7.0938 7.0961 8.0290 8.0333 8.2823 8.2847 8.4131 8.4171 9.5510 9.5573 k = 0.3478 0.5901 0.2437 ( 8541 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1567 -6.1566 -5.7831 -5.7824 -4.5456 -4.5449 -4.1661 -4.1636 -1.1764 -1.1720 -0.2196 -0.2194 1.5517 1.5630 1.6030 1.6043 1.9280 1.9285 2.5102 2.5162 2.8381 2.8440 3.2621 3.2679 3.6162 3.6275 4.1475 4.1525 4.4624 4.4649 5.0890 5.0937 7.1278 7.1305 8.0964 8.1009 8.3681 8.3707 8.4924 8.4962 9.5498 9.5562 k = 0.3388 0.6013 0.2581 ( 8535 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4599 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1754 -6.1753 -5.7515 -5.7509 -4.5596 -4.5589 -4.1581 -4.1556 -1.2127 -1.2082 -0.1733 -0.1732 1.5248 1.5313 1.5874 1.5935 1.9274 1.9279 2.4651 2.4712 2.8577 2.8629 3.2194 3.2255 3.6473 3.6587 4.1009 4.1067 4.5117 4.5144 5.1067 5.1113 7.1660 7.1690 8.1587 8.1632 8.4472 8.4501 8.5744 8.5781 9.5557 9.5621 k = 0.3299 0.6125 0.2724 ( 8533 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4599 -36.4598 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1959 -6.1958 -5.7184 -5.7177 -4.5709 -4.5701 -4.1500 -4.1473 -1.2511 -1.2467 -0.1312 -0.1312 1.4931 1.4969 1.5796 1.5885 1.9351 1.9355 2.4221 2.4282 2.8752 2.8798 3.1743 3.1808 3.6805 3.6920 4.0559 4.0625 4.5564 4.5592 5.1201 5.1246 7.2080 7.2113 8.2143 8.2187 8.5167 8.5201 8.6594 8.6630 9.5735 9.5796 k = 0.3299 0.6125 0.2724 ( 8533 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4599 -36.4598 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1959 -6.1958 -5.7184 -5.7177 -4.5709 -4.5701 -4.1500 -4.1473 -1.2511 -1.2467 -0.1312 -0.1312 1.4931 1.4969 1.5796 1.5885 1.9351 1.9355 2.4221 2.4282 2.8752 2.8798 3.1743 3.1808 3.6805 3.6920 4.0559 4.0625 4.5564 4.5592 5.1201 5.1246 7.2080 7.2113 8.2143 8.2187 8.5167 8.5201 8.6594 8.6630 9.5735 9.5796 k = 0.3116 0.6070 0.2795 ( 8537 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4602 -36.4599 -36.4598 -36.1843 -36.1843 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1556 -6.2089 -6.2088 -5.6990 -5.6983 -4.5746 -4.5738 -4.1461 -4.1433 -1.2737 -1.2693 -0.1100 -0.1098 1.4749 1.4778 1.5763 1.5859 1.9447 1.9453 2.4040 2.4102 2.8787 2.8839 3.1499 3.1572 3.6963 3.7080 4.0375 4.0446 4.5770 4.5799 5.1242 5.1284 7.2337 7.2373 8.2385 8.2427 8.5255 8.5283 8.7296 8.7322 9.5874 9.5933 k = 0.2932 0.6014 0.2866 ( 8541 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4602 -36.4599 -36.4598 -36.1843 -36.1843 -36.1839 -36.1839 -36.1559 -36.1559 -36.1556 -36.1556 -6.2255 -6.2254 -5.6758 -5.6751 -4.5757 -4.5748 -4.1426 -4.1397 -1.3017 -1.2974 -0.0860 -0.0856 1.4534 1.4557 1.5713 1.5815 1.9607 1.9616 2.3913 2.3975 2.8721 2.8792 3.1244 3.1334 3.7104 3.7223 4.0256 4.0335 4.5968 4.5996 5.1248 5.1287 7.2675 7.2713 8.2604 8.2643 8.5121 8.5142 8.8273 8.8291 9.6054 9.6110 k = 0.2749 0.5959 0.2937 ( 8536 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1843 -36.1843 -36.1839 -36.1839 -36.1559 -36.1559 -36.1556 -36.1556 -6.2443 -6.2441 -5.6506 -5.6499 -4.5739 -4.5729 -4.1395 -4.1367 -1.3343 -1.3301 -0.0595 -0.0591 1.4293 1.4311 1.5656 1.5760 1.9816 1.9826 2.3840 2.3899 2.8547 2.8640 3.1006 3.1115 3.7232 3.7353 4.0196 4.0285 4.6152 4.6179 5.1216 5.1252 7.3089 7.3130 8.2811 8.2845 8.4948 8.4965 8.9326 8.9340 9.6284 9.6337 k = 0.2566 0.5903 0.3009 ( 8548 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1844 -36.1843 -36.1839 -36.1839 -36.1559 -36.1559 -36.1556 -36.1556 -6.2641 -6.2640 -5.6247 -5.6240 -4.5691 -4.5680 -4.1372 -4.1342 -1.3706 -1.3666 -0.0311 -0.0305 1.4031 1.4047 1.5595 1.5700 2.0057 2.0069 2.3815 2.3873 2.8275 2.8383 3.0803 3.0922 3.7351 3.7475 4.0189 4.0287 4.6319 4.6343 5.1143 5.1174 7.3575 7.3619 8.3010 8.3038 8.4791 8.4805 9.0396 9.0408 9.6547 9.6595 k = 0.2383 0.5847 0.3080 ( 8550 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1844 -36.1843 -36.1839 -36.1838 -36.1559 -36.1559 -36.1556 -36.1556 -6.2841 -6.2840 -5.5991 -5.5984 -4.5613 -4.5601 -4.1355 -4.1325 -1.4096 -1.4058 -0.0011 -0.0005 1.3756 1.3772 1.5533 1.5638 2.0318 2.0331 2.3833 2.3888 2.7927 2.8041 3.0629 3.0751 3.7467 3.7595 4.0226 4.0334 4.6463 4.6484 5.1026 5.1052 7.4125 7.4173 8.3198 8.3218 8.4680 8.4693 9.1456 9.1470 9.6779 9.6828 k = 0.2199 0.5792 0.3151 ( 8553 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1844 -36.1843 -36.1839 -36.1838 -36.1559 -36.1559 -36.1556 -36.1556 -6.3039 -6.3038 -5.5746 -5.5740 -4.5505 -4.5491 -4.1348 -4.1317 -1.4505 -1.4469 0.0299 0.0305 1.3478 1.3494 1.5472 1.5575 2.0588 2.0602 2.3889 2.3940 2.7533 2.7647 3.0471 3.0587 3.7587 3.7718 4.0300 4.0418 4.6581 4.6600 5.0864 5.0886 7.4733 7.4785 8.3363 8.3376 8.4644 8.4662 9.2492 9.2508 9.6832 9.6887 k = 0.2016 0.5736 0.3222 ( 8549 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4598 -36.1844 -36.1844 -36.1839 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.3228 -6.3228 -5.5518 -5.5512 -4.5367 -4.5353 -4.1351 -4.1320 -1.4922 -1.4888 0.0614 0.0621 1.3202 1.3220 1.5409 1.5510 2.0857 2.0872 2.3972 2.4019 2.7125 2.7233 3.0313 3.0419 3.7715 3.7850 4.0404 4.0532 4.6672 4.6688 5.0658 5.0677 7.5390 7.5446 8.3482 8.3494 8.4715 8.4743 9.3489 9.3508 9.6667 9.6713 k = 0.1833 0.5681 0.3293 ( 8554 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4598 -36.1844 -36.1844 -36.1839 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.3408 -6.3407 -5.5310 -5.5305 -4.5203 -4.5187 -4.1365 -4.1333 -1.5339 -1.5307 0.0930 0.0936 1.2936 1.2955 1.5344 1.5441 2.1116 2.1133 2.4073 2.4114 2.6733 2.6833 3.0142 3.0237 3.7858 3.7997 4.0531 4.0669 4.6734 4.6749 5.0409 5.0428 7.6085 7.6145 8.3553 8.3571 8.4908 8.4948 9.4425 9.4450 9.6405 9.6443 k = 0.1649 0.5625 0.3364 ( 8549 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4598 -36.1844 -36.1844 -36.1838 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.3574 -6.3574 -5.5125 -5.5120 -4.5014 -4.4997 -4.1392 -4.1360 -1.5746 -1.5718 0.1240 0.1246 1.2687 1.2706 1.5274 1.5366 2.1359 2.1378 2.4174 2.4209 2.6386 2.6476 2.9953 3.0035 3.8020 3.8161 4.0674 4.0821 4.6768 4.6782 5.0123 5.0143 7.6804 7.6867 8.3603 8.3624 8.5207 8.5258 9.5271 9.5299 9.6116 9.6148 k = 0.1466 0.5570 0.3435 ( 8546 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4598 -36.1844 -36.1844 -36.1838 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.3726 -6.3726 -5.4963 -5.4958 -4.4806 -4.4787 -4.1433 -4.1401 -1.6137 -1.6111 0.1540 0.1546 1.2458 1.2477 1.5198 1.5286 2.1581 2.1603 2.4252 2.4279 2.6122 2.6198 2.9742 2.9812 3.8202 3.8344 4.0825 4.0982 4.6776 4.6790 4.9807 4.9831 7.7531 7.7596 8.3665 8.3688 8.5579 8.5640 9.5736 9.5761 9.6083 9.6132 k = 0.1283 0.5514 0.3506 ( 8540 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4597 -36.1844 -36.1844 -36.1838 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.3862 -6.3862 -5.4824 -5.4820 -4.4582 -4.4562 -4.1488 -4.1456 -1.6502 -1.6479 0.1824 0.1830 1.2254 1.2273 1.5117 1.5198 2.1776 2.1802 2.4275 2.4293 2.5976 2.6037 2.9510 2.9567 3.8404 3.8547 4.0978 4.1142 4.6763 4.6778 4.9472 4.9499 7.8243 7.8309 8.3767 8.3791 8.5991 8.6062 9.5479 9.5505 9.6651 9.6708 k = 0.1100 0.5459 0.3577 ( 8537 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4597 -36.1844 -36.1844 -36.1838 -36.1837 -36.1560 -36.1560 -36.1556 -36.1556 -6.3982 -6.3982 -5.4707 -5.4703 -4.4351 -4.4330 -4.1557 -4.1525 -1.6835 -1.6815 0.2086 0.2091 1.2077 1.2096 1.5032 1.5105 2.1942 2.1973 2.4225 2.4238 2.5967 2.6015 2.9256 2.9301 3.8622 3.8764 4.1125 4.1295 4.6732 4.6749 4.9131 4.9159 7.8912 7.8976 8.3936 8.3960 8.6410 8.6491 9.5214 9.5235 9.7084 9.7148 k = 0.0916 0.5403 0.3648 ( 8532 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4603 -36.4603 -36.4597 -36.4597 -36.1845 -36.1844 -36.1838 -36.1837 -36.1560 -36.1560 -36.1556 -36.1555 -6.4084 -6.4084 -5.4611 -5.4608 -4.4117 -4.4096 -4.1639 -4.1608 -1.7129 -1.7112 0.2321 0.2325 1.1930 1.1947 1.4946 1.5010 2.2080 2.2114 2.4119 2.4131 2.6079 2.6115 2.8984 2.9019 3.8851 3.8989 4.1260 4.1430 4.6691 4.6710 4.8798 4.8825 7.9506 7.9565 8.4192 8.4218 8.6793 8.6885 9.4976 9.4994 9.7214 9.7270 k = 0.0733 0.5348 0.3719 ( 8534 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4597 -36.4597 -36.1845 -36.1844 -36.1837 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4168 -6.4168 -5.4536 -5.4533 -4.3891 -4.3870 -4.1731 -4.1702 -1.7378 -1.7364 0.2522 0.2525 1.1813 1.1828 1.4864 1.4917 2.2189 2.2225 2.3995 2.4008 2.6274 2.6302 2.8696 2.8721 3.9080 3.9208 4.1377 4.1539 4.6646 4.6667 4.8489 4.8513 7.9995 8.0046 8.4548 8.4580 8.7092 8.7192 9.4776 9.4790 9.6952 9.7009 k = 0.0550 0.5292 0.3790 ( 8536 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4597 -36.4597 -36.1845 -36.1845 -36.1837 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4234 -6.4234 -5.4478 -5.4476 -4.3683 -4.3663 -4.1827 -4.1801 -1.7577 -1.7567 0.2685 0.2687 1.1725 1.1737 1.4792 1.4834 2.2272 2.2305 2.3882 2.3895 2.6519 2.6542 2.8397 2.8414 3.9294 3.9406 4.1473 4.1617 4.6605 4.6626 4.8223 4.8241 8.0364 8.0402 8.4998 8.5041 8.7255 8.7360 9.4615 9.4626 9.6623 9.6682 k = 0.0367 0.5237 0.3861 ( 8536 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4597 -36.4597 -36.1845 -36.1845 -36.1837 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4281 -6.4281 -5.4438 -5.4437 -4.3507 -4.3491 -4.1916 -4.1896 -1.7722 -1.7715 0.2804 0.2806 1.1664 1.1673 1.4737 1.4765 2.2332 2.2358 2.3796 2.3808 2.6795 2.6812 2.8093 2.8102 3.9476 3.9561 4.1549 4.1659 4.6574 4.6592 4.8016 4.8028 8.0613 8.0639 8.5507 8.5564 8.7247 8.7349 9.4498 9.4505 9.6394 9.6443 k = 0.0183 0.5181 0.3933 ( 8537 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4604 -36.4597 -36.4597 -36.1845 -36.1845 -36.1837 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4310 -6.4310 -5.4414 -5.4414 -4.3384 -4.3375 -4.1981 -4.1970 -1.7809 -1.7805 0.2878 0.2879 1.1630 1.1634 1.4704 1.4719 2.2370 2.2384 2.3745 2.3752 2.7079 2.7091 2.7796 2.7800 3.9608 3.9654 4.1607 4.1667 4.6557 4.6568 4.7884 4.7890 8.0757 8.0769 8.6010 8.6070 8.7079 8.7164 9.4426 9.4430 9.6286 9.6315 k = 0.0000 0.5126 0.4004 ( 8542 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4604 -36.4597 -36.4597 -36.1845 -36.1845 -36.1837 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4319 -6.4319 -5.4406 -5.4406 -4.3336 -4.3336 -4.2002 -4.2002 -1.7837 -1.7837 0.2903 0.2903 1.1620 1.1620 1.4697 1.4697 2.2388 2.2388 2.3730 2.3730 2.7273 2.7273 2.7604 2.7604 3.9670 3.9670 4.1647 4.1647 4.6556 4.6556 4.7841 4.7841 8.0807 8.0807 8.6324 8.6324 8.6950 8.6950 9.4403 9.4403 9.6268 9.6268 k = 0.0000 0.5126 0.4004 ( 8542 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4604 -36.4597 -36.4597 -36.1845 -36.1845 -36.1837 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4319 -6.4319 -5.4406 -5.4406 -4.3336 -4.3336 -4.2002 -4.2002 -1.7837 -1.7837 0.2903 0.2903 1.1620 1.1620 1.4697 1.4697 2.2388 2.2388 2.3730 2.3730 2.7273 2.7273 2.7604 2.7604 3.9670 3.9670 4.1647 4.1647 4.6556 4.6556 4.7841 4.7841 8.0807 8.0807 8.6324 8.6324 8.6950 8.6950 9.4403 9.4403 9.6268 9.6268 k = 0.0089 0.5014 0.4147 ( 8526 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4604 -36.4603 -36.4597 -36.4597 -36.1845 -36.1845 -36.1837 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4311 -6.4311 -5.4409 -5.4408 -4.3346 -4.3345 -4.2006 -4.2006 -1.7825 -1.7824 0.2854 0.2857 1.1621 1.1623 1.4704 1.4704 2.2391 2.2408 2.3643 2.3644 2.7307 2.7319 2.7694 2.7708 3.9673 3.9680 4.1650 4.1661 4.6558 4.6560 4.7843 4.7852 8.0803 8.0807 8.6237 8.6238 8.6941 8.6946 9.4368 9.4369 9.6347 9.6359 k = 0.0179 0.4902 0.4290 ( 8534 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4597 -36.4597 -36.1845 -36.1845 -36.1837 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4286 -6.4286 -5.4416 -5.4415 -4.3376 -4.3375 -4.2017 -4.2016 -1.7787 -1.7787 0.2713 0.2720 1.1622 1.1626 1.4722 1.4723 2.2421 2.2453 2.3409 2.3411 2.7421 2.7444 2.7951 2.7977 3.9687 3.9701 4.1671 4.1693 4.6567 4.6571 4.7858 4.7876 8.0797 8.0803 8.5988 8.5989 8.6922 8.6932 9.4263 9.4263 9.6582 9.6604 k = 0.0268 0.4791 0.4433 ( 8534 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4597 -36.4597 -36.1845 -36.1845 -36.1837 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4245 -6.4244 -5.4428 -5.4427 -4.3426 -4.3423 -4.2036 -4.2034 -1.7725 -1.7724 0.2488 0.2497 1.1618 1.1624 1.4747 1.4749 2.2482 2.2529 2.3087 2.3088 2.7609 2.7642 2.8322 2.8358 3.9714 3.9733 4.1709 4.1742 4.6582 4.6588 4.7885 4.7912 8.0787 8.0796 8.5607 8.5610 8.6896 8.6910 9.4083 9.4085 9.6938 9.6968 k = 0.0357 0.4679 0.4576 ( 8526 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4604 -36.4603 -36.4597 -36.4597 -36.1845 -36.1844 -36.1837 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4187 -6.4186 -5.4446 -5.4445 -4.3493 -4.3489 -4.2061 -4.2059 -1.7638 -1.7637 0.2189 0.2200 1.1598 1.1605 1.4772 1.4774 2.2580 2.2639 2.2729 2.2736 2.7863 2.7906 2.8756 2.8802 3.9752 3.9777 4.1764 4.1809 4.6603 4.6611 4.7922 4.7957 8.0773 8.0785 8.5130 8.5136 8.6865 8.6884 9.3827 9.3832 9.7365 9.7401 k = 0.0446 0.4567 0.4719 ( 8532 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4597 -36.4597 -36.1845 -36.1844 -36.1837 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4113 -6.4112 -5.4470 -5.4469 -4.3576 -4.3572 -4.2094 -4.2091 -1.7527 -1.7526 0.1826 0.1839 1.1553 1.1561 1.4785 1.4789 2.2378 2.2385 2.2725 2.2799 2.8177 2.8227 2.9221 2.9276 3.9801 3.9832 4.1838 4.1894 4.6631 4.6640 4.7966 4.8009 8.0754 8.0770 8.4596 8.4604 8.6836 8.6859 9.3501 9.3509 9.7806 9.7845 k = 0.0536 0.4456 0.4862 ( 8536 PWs) bands (ev): -69.5160 -69.5160 -69.5159 -69.5159 -36.4604 -36.4603 -36.4597 -36.4597 -36.1845 -36.1844 -36.1838 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.4022 -6.4022 -5.4501 -5.4500 -4.3673 -4.3668 -4.2134 -4.2130 -1.7393 -1.7391 0.1412 0.1427 1.1477 1.1485 1.4774 1.4779 2.2069 2.2081 2.2915 2.3001 2.8540 2.8598 2.9692 2.9755 3.9861 3.9898 4.1929 4.1997 4.6663 4.6674 4.8014 4.8063 8.0731 8.0750 8.4033 8.4044 8.6814 8.6840 9.3110 9.3120 9.8203 9.8243 k = 0.0625 0.4344 0.5005 ( 8530 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4603 -36.4597 -36.4597 -36.1845 -36.1844 -36.1838 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.3916 -6.3915 -5.4540 -5.4539 -4.3781 -4.3776 -4.2181 -4.2177 -1.7236 -1.7234 0.0958 0.0973 1.1365 1.1373 1.4724 1.4730 2.1828 2.1845 2.3153 2.3249 2.8947 2.9011 3.0156 3.0227 3.9933 3.9974 4.2038 4.2117 4.6701 4.6713 4.8061 4.8117 8.0702 8.0723 8.3465 8.3480 8.6804 8.6834 9.2663 9.2674 9.8345 9.8380 k = 0.0714 0.4232 0.5148 ( 8534 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4597 -36.1845 -36.1844 -36.1838 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.3794 -6.3792 -5.4589 -5.4588 -4.3898 -4.3892 -4.2236 -4.2231 -1.7057 -1.7055 0.0472 0.0488 1.1216 1.1225 1.4621 1.4628 2.1677 2.1699 2.3435 2.3541 2.9391 2.9459 3.0600 3.0680 4.0015 4.0060 4.2164 4.2254 4.6744 4.6757 4.8103 4.8166 8.0668 8.0691 8.2911 8.2930 8.6812 8.6846 9.2171 9.2183 9.7924 9.7955 k = 0.0804 0.4121 0.5290 ( 8528 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4597 -36.1844 -36.1844 -36.1838 -36.1837 -36.1560 -36.1560 -36.1555 -36.1555 -6.3656 -6.3654 -5.4649 -5.4648 -4.4020 -4.4013 -4.2297 -4.2292 -1.6857 -1.6855 -0.0037 -0.0021 1.1034 1.1043 1.4456 1.4463 2.1629 2.1656 2.3756 2.3870 2.9864 2.9936 3.1018 3.1105 4.0108 4.0156 4.2307 4.2408 4.6790 4.6804 4.8136 4.8205 8.0627 8.0652 8.2385 8.2408 8.6844 8.6882 9.1643 9.1656 9.7512 9.7543 k = 0.0893 0.4009 0.5433 ( 8526 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4597 -36.1844 -36.1844 -36.1838 -36.1837 -36.1560 -36.1560 -36.1556 -36.1555 -6.3502 -6.3501 -5.4721 -5.4720 -4.4145 -4.4137 -4.2366 -4.2360 -1.6636 -1.6634 -0.0563 -0.0547 1.0824 1.0833 1.4227 1.4235 2.1690 2.1721 2.4108 2.4229 3.0362 3.0437 3.1403 3.1499 4.0213 4.0263 4.2465 4.2576 4.6839 4.6854 4.8154 4.8228 8.0579 8.0607 8.1897 8.1924 8.6904 8.6945 9.1091 9.1103 9.7122 9.7154 k = 0.0982 0.3897 0.5576 ( 8528 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4597 -36.1844 -36.1844 -36.1838 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.3334 -6.3332 -5.4807 -5.4805 -4.4268 -4.4260 -4.2441 -4.2435 -1.6395 -1.6393 -0.1101 -0.1084 1.0591 1.0601 1.3939 1.3946 2.1856 2.1890 2.4483 2.4609 3.0878 3.0954 3.1753 3.1857 4.0329 4.0381 4.2637 4.2758 4.6891 4.6906 4.8153 4.8233 8.0525 8.0554 8.1455 8.1488 8.6995 8.7041 9.0524 9.0536 9.6758 9.6788 k = 0.1071 0.3786 0.5719 ( 8526 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4603 -36.4598 -36.4597 -36.1844 -36.1844 -36.1838 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.3151 -6.3149 -5.4908 -5.4906 -4.4387 -4.4378 -4.2524 -4.2517 -1.6136 -1.6134 -0.1646 -0.1629 1.0342 1.0353 1.3602 1.3608 2.2117 2.2154 2.4872 2.5004 3.1405 3.1481 3.2065 3.2176 4.0459 4.0511 4.2820 4.2949 4.6943 4.6958 4.8130 4.8215 8.0466 8.0496 8.1066 8.1103 8.7121 8.7170 8.9951 8.9962 9.6415 9.6441 k = 0.1161 0.3674 0.5862 ( 8536 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4598 -36.4598 -36.1844 -36.1843 -36.1838 -36.1838 -36.1560 -36.1560 -36.1556 -36.1556 -6.2954 -6.2952 -5.5025 -5.5023 -4.4499 -4.4490 -4.2613 -4.2605 -1.5859 -1.5857 -0.2194 -0.2178 1.0085 1.0096 1.3227 1.3233 2.2459 2.2500 2.5269 2.5404 3.1933 3.2009 3.2337 3.2457 4.0605 4.0655 4.3011 4.3148 4.6994 4.7008 4.8082 4.8170 8.0400 8.0432 8.0732 8.0775 8.7281 8.7336 8.9381 8.9391 9.6077 9.6093 k = 0.1250 0.3562 0.6005 ( 8530 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4598 -36.4598 -36.1844 -36.1843 -36.1839 -36.1838 -36.1559 -36.1559 -36.1556 -36.1556 -6.2743 -6.2741 -5.5160 -5.5158 -4.4600 -4.4591 -4.2708 -4.2700 -1.5564 -1.5563 -0.2745 -0.2729 0.9826 0.9837 1.2828 1.2832 2.2871 2.2914 2.5667 2.5804 3.2449 3.2529 3.2571 3.2706 4.0768 4.0815 4.3208 4.3351 4.7042 4.7056 4.8005 4.8099 8.0328 8.0362 8.0456 8.0505 8.7476 8.7536 8.8820 8.8828 9.5691 9.5695 k = 0.1339 0.3451 0.6148 ( 8536 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1844 -36.1843 -36.1839 -36.1838 -36.1559 -36.1559 -36.1556 -36.1556 -6.2518 -6.2516 -5.5313 -5.5311 -4.4689 -4.4680 -4.2809 -4.2801 -1.5252 -1.5252 -0.3294 -0.3279 0.9571 0.9583 1.2415 1.2418 2.3338 2.3384 2.6061 2.6200 3.2766 3.2851 3.3013 3.3032 4.0952 4.0995 4.3407 4.3554 4.7085 4.7097 4.7901 4.7999 8.0232 8.0239 8.0293 8.0306 8.7698 8.7766 8.8276 8.8282 9.5147 9.5182 k = 0.1429 0.3339 0.6291 ( 8536 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1844 -36.1843 -36.1839 -36.1838 -36.1559 -36.1559 -36.1556 -36.1556 -6.2281 -6.2279 -5.5485 -5.5483 -4.4764 -4.4754 -4.2917 -4.2908 -1.4925 -1.4925 -0.3842 -0.3827 0.9326 0.9338 1.1997 1.1998 2.3848 2.3897 2.6447 2.6586 3.2927 3.3040 3.3469 3.3502 4.1163 4.1199 4.3604 4.3755 4.7120 4.7130 4.7770 4.7872 8.0066 8.0106 8.0204 8.0219 8.7745 8.7759 8.7953 8.8019 9.4447 9.4506 k = 0.1518 0.3227 0.6434 ( 8542 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1843 -36.1843 -36.1839 -36.1838 -36.1559 -36.1559 -36.1556 -36.1556 -6.2032 -6.2030 -5.5676 -5.5673 -4.4822 -4.4812 -4.3029 -4.3020 -1.4583 -1.4583 -0.4386 -0.4371 0.9095 0.9108 1.1581 1.1582 2.4390 2.4442 2.6820 2.6959 3.3056 3.3176 3.3902 3.3928 4.1403 4.1431 4.3798 4.3951 4.7142 4.7150 4.7613 4.7721 7.9947 7.9994 8.0129 8.0147 8.7258 8.7265 8.8194 8.8274 9.3697 9.3770 k = 0.1607 0.3115 0.6577 ( 8548 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4603 -36.4602 -36.4599 -36.4598 -36.1843 -36.1843 -36.1839 -36.1839 -36.1559 -36.1559 -36.1556 -36.1556 -6.1771 -6.1769 -5.5885 -5.5882 -4.4863 -4.4852 -4.3145 -4.3136 -1.4227 -1.4226 -0.4926 -0.4912 0.8883 0.8896 1.1174 1.1176 2.4954 2.5010 2.7179 2.7316 3.3157 3.3281 3.4283 3.4296 4.1678 4.1696 4.3985 4.4139 4.7147 4.7153 4.7437 4.7551 7.9871 7.9920 8.0062 8.0077 8.6802 8.6807 8.8408 8.8500 9.3007 9.3091 k = 0.1696 0.3004 0.6720 ( 8554 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4602 -36.4599 -36.4598 -36.1843 -36.1843 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1499 -6.1497 -5.6112 -5.6110 -4.4886 -4.4875 -4.3266 -4.3257 -1.3857 -1.3856 -0.5461 -0.5448 0.8694 0.8707 1.0780 1.0784 2.5528 2.5588 2.7520 2.7656 3.3235 3.3361 3.4595 3.4596 4.1989 4.1996 4.4164 4.4318 4.7125 4.7129 4.7252 4.7371 7.9830 7.9880 8.0001 8.0013 8.6387 8.6390 8.8537 8.8635 9.2472 9.2562 k = 0.1786 0.2892 0.6863 ( 8550 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4599 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.1218 -6.1215 -5.6356 -5.6354 -4.4891 -4.4880 -4.3390 -4.3381 -1.3473 -1.3472 -0.5991 -0.5978 0.8531 0.8544 1.0405 1.0410 2.6102 2.6167 2.7841 2.7974 3.3296 3.3422 3.4816 3.4833 4.2333 4.2337 4.4334 4.4487 4.7008 4.7051 4.7127 4.7210 7.9815 7.9863 7.9949 7.9955 8.6021 8.6023 8.8506 8.8602 9.2184 9.2271 k = 0.1875 0.2780 0.7006 ( 8552 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.0927 -6.0925 -5.6616 -5.6614 -4.4878 -4.4867 -4.3517 -4.3507 -1.3077 -1.3075 -0.6515 -0.6503 0.8396 0.8409 1.0052 1.0058 2.6664 2.6735 2.8140 2.8270 3.3346 3.3472 3.4954 3.4987 4.2703 4.2718 4.4496 4.4647 4.6805 4.6893 4.7051 4.7098 7.9819 7.9856 7.9905 7.9914 8.5711 8.5712 8.8280 8.8362 9.2189 9.2260 k = 0.1964 0.2669 0.7149 ( 8544 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1559 -36.1559 -36.1557 -36.1557 -6.0629 -6.0626 -5.6891 -5.6888 -4.4849 -4.4838 -4.3645 -4.3634 -1.2670 -1.2667 -0.7034 -0.7022 0.8292 0.8306 0.9724 0.9731 2.7200 2.7279 2.8414 2.8538 3.3395 3.3519 3.5010 3.5057 4.3101 4.3125 4.4649 4.4797 4.6594 4.6697 4.6951 4.6991 7.9833 7.9842 7.9866 7.9905 8.5462 8.5463 8.7903 8.7966 9.2437 9.2487 k = 0.2054 0.2557 0.7292 ( 8556 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1843 -36.1842 -36.1840 -36.1839 -36.1558 -36.1558 -36.1557 -36.1557 -6.0323 -6.0320 -5.7177 -5.7174 -4.4803 -4.4792 -4.3773 -4.3763 -1.2250 -1.2247 -0.7546 -0.7535 0.8221 0.8234 0.9422 0.9430 2.7695 2.7784 2.8658 2.8776 3.3451 3.3572 3.4989 3.5049 4.3517 4.3550 4.4795 4.4941 4.6386 4.6496 4.6817 4.6858 7.9825 7.9836 7.9850 7.9911 8.5282 8.5283 8.7451 8.7498 9.2840 9.2872 k = 0.2143 0.2445 0.7435 ( 8548 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4602 -36.4601 -36.4600 -36.4599 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -6.0011 -6.0008 -5.7474 -5.7471 -4.4743 -4.4731 -4.3901 -4.3890 -1.1820 -1.1816 -0.8052 -0.8041 0.8183 0.8196 0.9150 0.9160 2.8133 2.8235 2.8870 2.8977 3.3525 3.3642 3.4898 3.4970 4.3943 4.3981 4.4936 4.5080 4.6186 4.6301 4.6645 4.6689 7.9815 7.9820 7.9861 7.9917 8.5176 8.5177 8.6986 8.7021 9.3331 9.3349 k = 0.2232 0.2334 0.7578 ( 8542 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9695 -5.9692 -5.7780 -5.7777 -4.4669 -4.4657 -4.4027 -4.4016 -1.1380 -1.1375 -0.8551 -0.8541 0.8181 0.8193 0.8910 0.8920 2.8497 2.8616 2.9043 2.9135 3.3626 3.3737 3.4750 3.4834 4.4367 4.4408 4.5074 4.5216 4.5996 4.6115 4.6433 4.6481 7.9813 7.9814 7.9866 7.9917 8.5146 8.5149 8.6543 8.6569 9.3861 9.3869 k = 0.2321 0.2222 0.7721 ( 8536 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9375 -5.9372 -5.8093 -5.8090 -4.4583 -4.4571 -4.4150 -4.4139 -1.0930 -1.0924 -0.9042 -0.9033 0.8214 0.8226 0.8701 0.8713 2.8769 2.8915 2.9172 2.9241 3.3763 3.3865 3.4562 3.4658 4.4778 4.4820 4.5213 4.5353 4.5818 4.5940 4.6182 4.6235 7.9816 7.9822 7.9863 7.9909 8.5196 8.5200 8.6144 8.6164 9.4395 9.4395 k = 0.2411 0.2110 0.7864 ( 8534 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9053 -5.9050 -5.8411 -5.8408 -4.4487 -4.4475 -4.4268 -4.4257 -1.0471 -1.0464 -0.9526 -0.9518 0.8282 0.8293 0.8527 0.8540 2.8938 2.9120 2.9252 2.9286 3.3935 3.4020 3.4350 3.4464 4.5162 4.5199 4.5356 4.5496 4.5651 4.5775 4.5897 4.5956 7.9825 7.9834 7.9853 7.9897 8.5324 8.5331 8.5803 8.5817 9.4890 9.4897 k = 0.2500 0.1999 0.8007 ( 8532 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.8732 -5.8732 -5.8731 -5.8725 -4.4392 -4.4370 -4.4370 -4.4370 -1.0009 -1.0009 -0.9997 -0.9982 0.8380 0.8380 0.8394 0.8418 2.8995 2.9212 2.9280 2.9280 3.4130 3.4140 3.4140 3.4329 4.5447 4.5447 4.5475 4.5509 4.5630 4.5660 4.5660 4.5715 7.9837 7.9841 7.9841 7.9889 8.5523 8.5532 8.5532 8.5544 9.5283 9.5300 k = 0.2500 0.1999 0.8007 ( 8532 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.8732 -5.8732 -5.8731 -5.8725 -4.4392 -4.4370 -4.4370 -4.4370 -1.0009 -1.0009 -0.9997 -0.9982 0.8380 0.8380 0.8394 0.8418 2.8995 2.9212 2.9280 2.9280 3.4130 3.4140 3.4140 3.4329 4.5447 4.5447 4.5475 4.5509 4.5630 4.5660 4.5660 4.5715 7.9837 7.9841 7.9841 7.9889 8.5523 8.5532 8.5532 8.5544 9.5283 9.5300 k = 0.2625 0.2099 0.7879 ( 8524 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.8926 -5.8923 -5.8537 -5.8534 -4.4448 -4.4437 -4.4310 -4.4300 -1.0301 -1.0294 -0.9713 -0.9705 0.8344 0.8353 0.8485 0.8498 2.8907 2.9079 2.9240 2.9272 3.3994 3.4068 3.4339 3.4452 4.5232 4.5275 4.5387 4.5389 4.5726 4.5808 4.5848 4.5924 7.9810 7.9814 7.9817 7.9863 8.5405 8.5415 8.5718 8.5733 9.5043 9.5051 k = 0.2750 0.2198 0.7751 ( 8530 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9104 -5.9101 -5.8362 -5.8359 -4.4509 -4.4498 -4.4239 -4.4229 -1.0592 -1.0586 -0.9441 -0.9433 0.8365 0.8375 0.8622 0.8633 2.8620 2.8738 2.9169 2.9237 3.3840 3.3927 3.4633 3.4718 4.4993 4.5034 4.5219 4.5232 4.5906 4.5991 4.6143 4.6219 7.9710 7.9731 7.9765 7.9793 8.5344 8.5353 8.5984 8.6002 9.4724 9.4729 k = 0.2875 0.2298 0.7623 ( 8534 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9265 -5.9262 -5.8206 -5.8204 -4.4564 -4.4553 -4.4169 -4.4160 -1.0869 -1.0864 -0.9191 -0.9182 0.8445 0.8455 0.8798 0.8808 2.8183 2.8271 2.9064 2.9143 3.3687 3.3773 3.4954 3.5023 4.4765 4.4805 4.5077 4.5097 4.6073 4.6159 4.6472 4.6547 7.9547 7.9578 7.9691 7.9707 8.5343 8.5350 8.6311 8.6332 9.4381 9.4386 k = 0.3000 0.2398 0.7495 ( 8540 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9407 -5.9404 -5.8071 -5.8069 -4.4613 -4.4603 -4.4103 -4.4095 -1.1124 -1.1119 -0.8962 -0.8953 0.8577 0.8587 0.9012 0.9020 2.7657 2.7726 2.8903 2.8982 3.3546 3.3627 3.5254 3.5312 4.4553 4.4593 4.4960 4.4984 4.6225 4.6311 4.6829 4.6903 7.9337 7.9373 7.9598 7.9607 8.5396 8.5403 8.6688 8.6711 9.4031 9.4035 k = 0.3125 0.2498 0.7368 ( 8542 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9530 -5.9528 -5.7957 -5.7955 -4.4656 -4.4646 -4.4044 -4.4036 -1.1349 -1.1345 -0.8755 -0.8747 0.8755 0.8765 0.9263 0.9269 2.7078 2.7135 2.8679 2.8751 3.3426 3.3497 3.5506 3.5556 4.4360 4.4400 4.4864 4.4891 4.6363 4.6447 4.7210 4.7282 7.9096 7.9135 7.9493 7.9497 8.5500 8.5507 8.7100 8.7125 9.3686 9.3690 k = 0.3250 0.2598 0.7240 ( 8550 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9635 -5.9633 -5.7865 -5.7863 -4.4692 -4.4683 -4.3993 -4.3985 -1.1538 -1.1535 -0.8573 -0.8564 0.8972 0.8982 0.9546 0.9552 2.6472 2.6520 2.8393 2.8455 3.3328 3.3388 3.5696 3.5740 4.4183 4.4222 4.4784 4.4814 4.6486 4.6570 4.7608 4.7675 7.8841 7.8881 7.9381 7.9382 8.5651 8.5658 8.7537 8.7563 9.3351 9.3356 k = 0.3375 0.2698 0.7112 ( 8545 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9721 -5.9718 -5.7794 -5.7793 -4.4722 -4.4713 -4.3952 -4.3946 -1.1684 -1.1681 -0.8415 -0.8406 0.9221 0.9231 0.9859 0.9863 2.5856 2.5897 2.8051 2.8102 3.3253 3.3301 3.5818 3.5859 4.4022 4.4060 4.4717 4.4749 4.6596 4.6679 4.8009 4.8072 7.8587 7.8627 7.9266 7.9269 8.5843 8.5851 8.7989 8.8014 9.3034 9.3040 k = 0.3500 0.2798 0.6984 ( 8553 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9787 -5.9785 -5.7746 -5.7744 -4.4745 -4.4737 -4.3925 -4.3919 -1.1781 -1.1780 -0.8282 -0.8272 0.9495 0.9506 1.0196 1.0198 2.5243 2.5280 2.7663 2.7702 3.3197 3.3232 3.5873 3.5913 4.3875 4.3912 4.4658 4.4691 4.6695 4.6777 4.8400 4.8457 7.8349 7.8388 7.9154 7.9159 8.6072 8.6081 8.8448 8.8471 9.2734 9.2742 k = 0.3625 0.2898 0.6856 ( 8557 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9833 -5.9831 -5.7720 -5.7718 -4.4761 -4.4753 -4.3911 -4.3906 -1.1825 -1.1825 -0.8174 -0.8164 0.9788 0.9800 1.0551 1.0551 2.4648 2.4681 2.7240 2.7268 3.3154 3.3177 3.5865 3.5904 4.3743 4.3777 4.4604 4.4638 4.6785 4.6864 4.8765 4.8815 7.8142 7.8180 7.9049 7.9057 8.6336 8.6346 8.8907 8.8926 9.2453 9.2462 k = 0.3750 0.2998 0.6728 ( 8553 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9859 -5.9857 -5.7716 -5.7715 -4.4770 -4.4763 -4.3911 -4.3907 -1.1813 -1.1813 -0.8091 -0.8081 1.0093 1.0105 1.0914 1.0916 2.4082 2.4113 2.6795 2.6813 3.3120 3.3132 3.5800 3.5837 4.3626 4.3657 4.4550 4.4584 4.6867 4.6945 4.9085 4.9129 7.7978 7.8014 7.8955 7.8965 8.6630 8.6642 8.9356 8.9371 9.2188 9.2200 k = 0.3875 0.3098 0.6600 ( 8551 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9865 -5.9863 -5.7736 -5.7735 -4.4772 -4.4765 -4.3927 -4.3924 -1.1744 -1.1742 -0.8034 -0.8023 1.0403 1.0416 1.1276 1.1280 2.3557 2.3587 2.6338 2.6346 3.3091 3.3093 3.5681 3.5718 4.3524 4.3553 4.4492 4.4526 4.6947 4.7022 4.9347 4.9383 7.7868 7.7901 7.8874 7.8885 8.6952 8.6965 8.9787 8.9795 9.1937 9.1952 k = 0.4000 0.3198 0.6472 ( 8545 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9851 -5.9849 -5.7779 -5.7778 -4.4766 -4.4759 -4.3956 -4.3954 -1.1614 -1.1612 -0.8002 -0.7991 1.0712 1.0727 1.1626 1.1633 2.3088 2.3118 2.5879 2.5880 3.3058 3.3065 3.5515 3.5551 4.3439 4.3464 4.4427 4.4459 4.7026 4.7098 4.9536 4.9564 7.7819 7.7850 7.8806 7.8819 8.7298 8.7312 9.0188 9.0189 9.1695 9.1714 k = 0.4125 0.3298 0.6344 ( 8541 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9816 -5.9814 -5.7845 -5.7845 -4.4754 -4.4747 -4.3998 -4.3997 -1.1426 -1.1422 -0.7995 -0.7984 1.1014 1.1030 1.1951 1.1962 2.2690 2.2720 2.5418 2.5427 3.3026 3.3040 3.5305 3.5342 4.3371 4.3393 4.4349 4.4379 4.7110 4.7179 4.9641 4.9662 7.7834 7.7862 7.8754 7.8768 8.7664 8.7680 9.0536 9.0549 9.1460 9.1485 k = 0.4250 0.3398 0.6216 ( 8537 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9761 -5.9758 -5.7936 -5.7935 -4.4733 -4.4727 -4.4052 -4.4051 -1.1179 -1.1174 -0.8014 -0.8002 1.1304 1.1322 1.2236 1.2251 2.2376 2.2408 2.4971 2.4987 3.2996 3.3017 3.5056 3.5093 4.3321 4.3340 4.4255 4.4283 4.7203 4.7267 4.9658 4.9671 7.7912 7.7938 7.8718 7.8732 8.8047 8.8064 9.0809 9.0837 9.1246 9.1280 k = 0.4375 0.3498 0.6088 ( 8537 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9684 -5.9682 -5.8050 -5.8050 -4.4706 -4.4700 -4.4114 -4.4114 -1.0877 -1.0871 -0.8059 -0.8047 1.1578 1.1598 1.2468 1.2486 2.2162 2.2196 2.4542 2.4565 3.2971 3.2997 3.4772 3.4809 4.3289 4.3304 4.4144 4.4168 4.7307 4.7366 4.9584 4.9590 7.8044 7.8068 7.8698 7.8713 8.8439 8.8457 9.0855 9.0862 9.1235 9.1242 k = 0.4500 0.3598 0.5960 ( 8537 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9587 -5.9585 -5.8189 -5.8189 -4.4671 -4.4665 -4.4183 -4.4182 -1.0522 -1.0515 -0.8129 -0.8117 1.1832 1.1854 1.2636 1.2658 2.2058 2.2094 2.4135 2.4164 3.2950 3.2980 3.4457 3.4493 4.3274 4.3285 4.4014 4.4035 4.7426 4.7479 4.9420 4.9422 7.8217 7.8239 7.8694 7.8709 8.8830 8.8846 9.0631 9.0645 9.1397 9.1418 k = 0.4625 0.3697 0.5832 ( 8537 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.9469 -5.9467 -5.8353 -5.8352 -4.4629 -4.4623 -4.4255 -4.4253 -1.0120 -1.0112 -0.8227 -0.8215 1.2064 1.2089 1.2733 1.2759 2.2069 2.2108 2.3752 2.3787 3.2935 3.2970 3.4113 3.4150 4.3272 4.3280 4.3866 4.3883 4.7560 4.7608 4.9169 4.9179 7.8410 7.8430 7.8706 7.8721 8.9199 8.9212 9.0365 9.0385 9.1553 9.1586 k = 0.4750 0.3797 0.5704 ( 8539 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.9329 -5.9328 -5.8541 -5.8540 -4.4580 -4.4575 -4.4327 -4.4324 -0.9676 -0.9666 -0.8351 -0.8339 1.2275 1.2303 1.2761 1.2789 2.2194 2.2235 2.3394 2.3433 3.2929 3.2966 3.3744 3.3782 4.3278 4.3282 4.3703 4.3715 4.7710 4.7753 4.8849 4.8866 7.8595 7.8613 7.8735 7.8750 8.9513 8.9519 9.0101 9.0123 9.1685 9.1725 k = 0.4875 0.3897 0.5576 ( 8537 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.9169 -5.9167 -5.8753 -5.8751 -4.4524 -4.4519 -4.4396 -4.4392 -0.9194 -0.9183 -0.8503 -0.8490 1.2466 1.2496 1.2726 1.2757 2.2422 2.2465 2.3060 2.3102 3.2931 3.2969 3.3355 3.3393 4.3278 4.3278 4.3533 4.3541 4.7875 4.7912 4.8476 4.8500 7.8741 7.8752 7.8787 7.8796 8.9699 8.9705 8.9867 8.9889 9.1797 9.1830 k = 0.5000 0.3997 0.5448 ( 8530 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1841 -36.1841 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8990 -5.8990 -5.8984 -5.8984 -4.4467 -4.4467 -4.4450 -4.4450 -0.8686 -0.8686 -0.8667 -0.8667 1.2640 1.2640 1.2676 1.2676 2.2720 2.2720 2.2810 2.2810 3.2927 3.2927 3.3001 3.3001 4.3228 4.3228 4.3396 4.3396 4.8022 4.8022 4.8133 4.8133 7.8818 7.8818 7.8856 7.8856 8.9662 8.9662 8.9719 8.9719 9.1899 9.1899 k = 0.5000 0.3997 0.5448 ( 8530 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1841 -36.1841 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8990 -5.8990 -5.8984 -5.8984 -4.4467 -4.4467 -4.4450 -4.4450 -0.8686 -0.8686 -0.8667 -0.8667 1.2640 1.2640 1.2676 1.2676 2.2720 2.2720 2.2810 2.2810 3.2927 3.2927 3.3001 3.3001 4.3228 4.3228 4.3396 4.3396 4.8022 4.8022 4.8133 4.8133 7.8818 7.8818 7.8856 7.8856 8.9662 8.9662 8.9719 8.9719 9.1899 9.1899 k = 0.5000 0.3997 0.5247 ( 8540 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.9036 -5.9036 -5.9030 -5.9030 -4.4458 -4.4458 -4.4440 -4.4440 -0.8430 -0.8430 -0.8409 -0.8409 1.2697 1.2697 1.2739 1.2739 2.2762 2.2762 2.2856 2.2856 3.2621 3.2621 3.2696 3.2696 4.3057 4.3057 4.3230 4.3230 4.7839 4.7839 4.7957 4.7957 7.8854 7.8854 7.8893 7.8893 8.9421 8.9421 8.9484 8.9484 9.2045 9.2045 k = 0.5000 0.3997 0.5045 ( 8532 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1841 -36.1841 -36.1840 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.9087 -5.9087 -5.9081 -5.9081 -4.4440 -4.4440 -4.4422 -4.4422 -0.8186 -0.8186 -0.8163 -0.8163 1.2771 1.2771 1.2818 1.2818 2.2806 2.2806 2.2904 2.2904 3.2338 3.2338 3.2414 3.2414 4.2871 4.2871 4.3049 4.3049 4.7661 4.7661 4.7783 4.7783 7.8795 7.8795 7.8834 7.8834 8.9178 8.9178 8.9246 8.9246 9.2122 9.2122 k = 0.5000 0.3997 0.4843 ( 8530 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1557 -36.1557 -5.9142 -5.9142 -5.9136 -5.9136 -4.4412 -4.4412 -4.4394 -4.4394 -0.7959 -0.7959 -0.7935 -0.7935 1.2864 1.2864 1.2918 1.2918 2.2853 2.2853 2.2955 2.2955 3.2082 3.2082 3.2157 3.2157 4.2669 4.2669 4.2851 4.2851 4.7492 4.7492 4.7617 4.7617 7.8635 7.8635 7.8674 7.8674 8.8932 8.8932 8.9005 8.9005 9.2126 9.2126 k = 0.5000 0.3997 0.4641 ( 8530 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1557 -36.1557 -5.9202 -5.9202 -5.9195 -5.9195 -4.4373 -4.4373 -4.4355 -4.4355 -0.7755 -0.7755 -0.7729 -0.7729 1.2980 1.2980 1.3041 1.3041 2.2902 2.2902 2.3009 2.3009 3.1854 3.1854 3.1928 3.1928 4.2452 4.2452 4.2635 4.2635 4.7334 4.7334 4.7461 4.7461 7.8374 7.8374 7.8414 7.8414 8.8656 8.8656 8.8734 8.8734 9.2086 9.2086 k = 0.5000 0.3997 0.4439 ( 8536 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.9265 -5.9265 -5.9259 -5.9259 -4.4323 -4.4323 -4.4306 -4.4306 -0.7578 -0.7578 -0.7551 -0.7551 1.3123 1.3123 1.3190 1.3190 2.2955 2.2955 2.3067 2.3067 3.1656 3.1656 3.1727 3.1727 4.2217 4.2217 4.2401 4.2401 4.7193 4.7193 4.7320 4.7320 7.8024 7.8024 7.8064 7.8064 8.8310 8.8310 8.8389 8.8389 9.2056 9.2056 k = 0.5000 0.3997 0.4238 ( 8540 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.9333 -5.9333 -5.9327 -5.9327 -4.4263 -4.4263 -4.4246 -4.4246 -0.7433 -0.7433 -0.7404 -0.7404 1.3294 1.3294 1.3369 1.3369 2.3012 2.3012 2.3127 2.3127 3.1488 3.1488 3.1557 3.1557 4.1965 4.1965 4.2148 4.2148 4.7070 4.7070 4.7196 4.7196 7.7601 7.7601 7.7640 7.7640 8.7858 8.7858 8.7935 8.7935 9.2082 9.2082 k = 0.5000 0.3997 0.4036 ( 8554 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.9404 -5.9404 -5.9398 -5.9398 -4.4192 -4.4192 -4.4175 -4.4175 -0.7321 -0.7321 -0.7291 -0.7291 1.3497 1.3497 1.3578 1.3578 2.3072 2.3072 2.3191 2.3191 3.1352 3.1352 3.1416 3.1416 4.1697 4.1697 4.1877 4.1877 4.6967 4.6967 4.7090 4.7090 7.7121 7.7121 7.7159 7.7159 8.7290 8.7290 8.7364 8.7364 9.2185 9.2185 k = 0.5000 0.3997 0.3834 ( 8560 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.9477 -5.9477 -5.9471 -5.9471 -4.4111 -4.4111 -4.4094 -4.4094 -0.7246 -0.7246 -0.7215 -0.7215 1.3732 1.3732 1.3821 1.3821 2.3135 2.3135 2.3258 2.3258 3.1245 3.1245 3.1305 3.1305 4.1412 4.1412 4.1589 4.1589 4.6884 4.6884 4.7003 4.7003 7.6603 7.6603 7.6639 7.6639 8.6620 8.6620 8.6690 8.6690 9.2356 9.2356 k = 0.5000 0.3997 0.3632 ( 8550 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.9553 -5.9553 -5.9547 -5.9547 -4.4021 -4.4021 -4.4004 -4.4004 -0.7207 -0.7207 -0.7176 -0.7176 1.4001 1.4001 1.4096 1.4096 2.3203 2.3203 2.3329 2.3329 3.1168 3.1168 3.1222 3.1222 4.1111 4.1111 4.1283 4.1283 4.6823 4.6823 4.6937 4.6937 7.6064 7.6064 7.6098 7.6098 8.5873 8.5873 8.5939 8.5939 9.2573 9.2573 k = 0.5000 0.3997 0.3430 ( 8550 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.9630 -5.9630 -5.9624 -5.9624 -4.3922 -4.3922 -4.3906 -4.3906 -0.7205 -0.7205 -0.7173 -0.7173 1.4302 1.4302 1.4403 1.4403 2.3273 2.3273 2.3402 2.3402 3.1119 3.1119 3.1168 3.1168 4.0795 4.0795 4.0961 4.0961 4.6783 4.6783 4.6890 4.6890 7.5518 7.5518 7.5550 7.5550 8.5072 8.5072 8.5135 8.5135 9.2815 9.2815 k = 0.5000 0.3997 0.3229 ( 8548 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.9708 -5.9708 -5.9702 -5.9702 -4.3816 -4.3816 -4.3800 -4.3800 -0.7237 -0.7237 -0.7205 -0.7205 1.4632 1.4632 1.4739 1.4739 2.3346 2.3346 2.3479 2.3479 3.1097 3.1097 3.1141 3.1141 4.0464 4.0464 4.0624 4.0624 4.6761 4.6761 4.6862 4.6862 7.4979 7.4979 7.5009 7.5009 8.4239 8.4239 8.4298 8.4298 9.3061 9.3061 k = 0.5000 0.3997 0.3027 ( 8560 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.9786 -5.9786 -5.9781 -5.9781 -4.3703 -4.3703 -4.3688 -4.3688 -0.7300 -0.7300 -0.7269 -0.7269 1.4990 1.4990 1.5102 1.5102 2.3422 2.3422 2.3558 2.3558 3.1101 3.1101 3.1140 3.1140 4.0120 4.0120 4.0273 4.0273 4.6758 4.6758 4.6852 4.6852 7.4458 7.4458 7.4485 7.4485 8.3388 8.3388 8.3444 8.3444 9.3298 9.3298 k = 0.5000 0.3997 0.2825 ( 8564 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.9863 -5.9863 -5.9858 -5.9858 -4.3586 -4.3586 -4.3571 -4.3571 -0.7392 -0.7392 -0.7361 -0.7361 1.5371 1.5371 1.5488 1.5488 2.3500 2.3500 2.3638 2.3638 3.1130 3.1130 3.1166 3.1166 3.9764 3.9764 3.9909 3.9909 4.6770 4.6770 4.6857 4.6857 7.3963 7.3963 7.3988 7.3988 8.2532 8.2532 8.2585 8.2585 9.3516 9.3516 k = 0.5000 0.3997 0.2623 ( 8554 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.9939 -5.9939 -5.9934 -5.9934 -4.3466 -4.3466 -4.3452 -4.3452 -0.7507 -0.7507 -0.7477 -0.7477 1.5769 1.5769 1.5889 1.5889 2.3580 2.3580 2.3720 2.3720 3.1182 3.1182 3.1218 3.1218 3.9397 3.9397 3.9535 3.9535 4.6797 4.6797 4.6876 4.6876 7.3505 7.3505 7.3528 7.3528 8.1678 8.1678 8.1728 8.1728 9.3708 9.3708 k = 0.5000 0.3997 0.2422 ( 8562 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0012 -6.0012 -6.0008 -6.0008 -4.3344 -4.3344 -4.3331 -4.3331 -0.7641 -0.7641 -0.7613 -0.7613 1.6178 1.6178 1.6302 1.6302 2.3660 2.3660 2.3801 2.3801 3.1257 3.1257 3.1296 3.1296 3.9018 3.9018 3.9149 3.9149 4.6834 4.6834 4.6906 4.6906 7.3090 7.3090 7.3110 7.3110 8.0834 8.0834 8.0881 8.0881 9.3871 9.3871 k = 0.5000 0.3997 0.2220 ( 8566 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0083 -6.0083 -6.0078 -6.0078 -4.3223 -4.3223 -4.3210 -4.3210 -0.7789 -0.7789 -0.7762 -0.7762 1.6592 1.6592 1.6718 1.6718 2.3740 2.3740 2.3881 2.3881 3.1356 3.1356 3.1399 3.1399 3.8631 3.8631 3.8755 3.8755 4.6880 4.6880 4.6945 4.6945 7.2725 7.2725 7.2743 7.2743 8.0006 8.0006 8.0050 8.0050 9.4005 9.4005 k = 0.5000 0.3997 0.2018 ( 8578 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0149 -6.0149 -6.0146 -6.0146 -4.3104 -4.3104 -4.3092 -4.3092 -0.7944 -0.7944 -0.7919 -0.7919 1.7004 1.7004 1.7130 1.7130 2.3819 2.3819 2.3960 2.3960 3.1478 3.1478 3.1529 3.1529 3.8234 3.8234 3.8352 3.8352 4.6932 4.6932 4.6990 4.6990 7.2414 7.2414 7.2431 7.2431 7.9197 7.9197 7.9238 7.9238 9.4109 9.4110 k = 0.5000 0.3997 0.1816 ( 8572 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0212 -6.0212 -6.0208 -6.0208 -4.2989 -4.2989 -4.2978 -4.2978 -0.8103 -0.8103 -0.8080 -0.8080 1.7406 1.7406 1.7531 1.7531 2.3896 2.3896 2.4035 2.4035 3.1624 3.1624 3.1683 3.1683 3.7830 3.7830 3.7942 3.7942 4.6988 4.6988 4.7039 4.7039 7.2164 7.2164 7.2179 7.2179 7.8411 7.8411 7.8450 7.8450 9.4184 9.4184 k = 0.5000 0.3997 0.1614 ( 8572 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0269 -6.0269 -6.0266 -6.0266 -4.2880 -4.2880 -4.2870 -4.2870 -0.8260 -0.8260 -0.8239 -0.8239 1.7791 1.7791 1.7912 1.7912 2.3971 2.3971 2.4105 2.4105 3.1796 3.1796 3.1863 3.1863 3.7419 3.7419 3.7527 3.7527 4.7044 4.7044 4.7090 4.7090 7.1977 7.1977 7.1991 7.1991 7.7653 7.7653 7.7689 7.7689 9.4230 9.4230 k = 0.5000 0.3997 0.1413 ( 8568 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0322 -6.0322 -6.0319 -6.0319 -4.2779 -4.2779 -4.2770 -4.2770 -0.8410 -0.8410 -0.8392 -0.8392 1.8152 1.8152 1.8268 1.8268 2.4043 2.4043 2.4170 2.4170 3.1993 3.1993 3.2068 3.2068 3.7004 3.7004 3.7108 3.7108 4.7100 4.7100 4.7140 4.7140 7.1856 7.1856 7.1870 7.1870 7.6926 7.6926 7.6960 7.6960 9.4248 9.4249 k = 0.5000 0.3997 0.1211 ( 8564 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1841 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0368 -6.0368 -6.0365 -6.0365 -4.2687 -4.2687 -4.2679 -4.2679 -0.8549 -0.8549 -0.8533 -0.8533 1.8482 1.8482 1.8589 1.8589 2.4110 2.4110 2.4228 2.4228 3.2217 3.2217 3.2299 3.2299 3.6585 3.6585 3.6687 3.6687 4.7153 4.7153 4.7187 4.7187 7.1804 7.1804 7.1818 7.1818 7.6233 7.6233 7.6264 7.6264 9.4235 9.4236 k = 0.5000 0.3997 0.1009 ( 8562 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1841 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0408 -6.0408 -6.0406 -6.0406 -4.2606 -4.2606 -4.2600 -4.2600 -0.8674 -0.8674 -0.8660 -0.8660 1.8775 1.8775 1.8871 1.8871 2.4173 2.4173 2.4278 2.4278 3.2466 3.2466 3.2554 3.2554 3.6166 3.6166 3.6267 3.6267 4.7201 4.7201 4.7229 4.7229 7.1820 7.1820 7.1835 7.1835 7.5578 7.5578 7.5607 7.5607 9.4191 9.4196 k = 0.5000 0.3997 0.0807 ( 8570 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1841 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0441 -6.0441 -6.0439 -6.0439 -4.2538 -4.2538 -4.2532 -4.2532 -0.8780 -0.8780 -0.8769 -0.8769 1.9024 1.9024 1.9106 1.9106 2.4229 2.4229 2.4318 2.4318 3.2741 3.2741 3.2834 3.2834 3.5749 3.5749 3.5849 3.5849 4.7243 4.7243 4.7265 4.7265 7.1906 7.1906 7.1922 7.1922 7.4965 7.4965 7.4992 7.4992 9.4117 9.4117 k = 0.5000 0.3997 0.0605 ( 8572 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1841 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0467 -6.0467 -6.0465 -6.0465 -4.2483 -4.2483 -4.2479 -4.2479 -0.8866 -0.8866 -0.8857 -0.8857 1.9227 1.9227 1.9291 1.9291 2.4277 2.4277 2.4347 2.4347 3.3039 3.3039 3.3135 3.3135 3.5339 3.5339 3.5438 3.5438 4.7277 4.7277 4.7294 4.7294 7.2059 7.2059 7.2076 7.2076 7.4399 7.4399 7.4425 7.4425 9.4024 9.4024 k = 0.5000 0.3997 0.0404 ( 8576 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1841 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0485 -6.0485 -6.0484 -6.0484 -4.2443 -4.2443 -4.2440 -4.2440 -0.8928 -0.8928 -0.8922 -0.8922 1.9378 1.9378 1.9422 1.9422 2.4317 2.4317 2.4365 2.4365 3.3356 3.3356 3.3452 3.3452 3.4942 3.4942 3.5039 3.5039 4.7303 4.7303 4.7314 4.7314 7.2274 7.2274 7.2291 7.2291 7.3888 7.3888 7.3912 7.3912 9.3933 9.3933 k = 0.5000 0.3997 0.0202 ( 8580 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1841 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0496 -6.0496 -6.0496 -6.0496 -4.2419 -4.2419 -4.2417 -4.2417 -0.8965 -0.8965 -0.8962 -0.8962 1.9474 1.9474 1.9497 1.9497 2.4346 2.4346 2.4371 2.4371 3.3678 3.3678 3.3763 3.3763 3.4582 3.4582 3.4668 3.4668 4.7320 4.7320 4.7325 4.7325 7.2533 7.2533 7.2550 7.2550 7.3452 7.3452 7.3471 7.3471 9.3867 9.3868 k = 0.5000 0.3997 0.0000 ( 8596 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4601 -36.4601 -36.1841 -36.1841 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -6.0500 -6.0500 -6.0500 -6.0500 -4.2410 -4.2410 -4.2410 -4.2410 -0.8977 -0.8977 -0.8977 -0.8977 1.9514 1.9514 1.9514 1.9514 2.4364 2.4364 2.4364 2.4364 3.3913 3.3913 3.3913 3.3913 3.4416 3.4416 3.4416 3.4416 4.7327 4.7327 4.7327 4.7327 7.2722 7.2722 7.2722 7.2722 7.3222 7.3222 7.3222 7.3222 9.3846 9.3846 k = 0.0000 0.0000 0.8007 ( 8562 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1841 -36.1558 -36.1558 -36.1558 -36.1558 -5.8751 -5.8751 -5.8747 -5.8747 -4.4296 -4.4296 -4.4281 -4.4281 -1.0910 -1.0910 -1.0902 -1.0902 1.2459 1.2459 1.2484 1.2484 2.2439 2.2439 2.2490 2.2490 3.6168 3.6168 3.6203 3.6203 4.4255 4.4255 4.4358 4.4358 4.9386 4.9386 4.9400 4.9400 7.6704 7.6704 7.6739 7.6739 8.7033 8.7033 8.7090 8.7090 9.2327 9.2327 k = 0.0156 0.0125 0.8007 ( 8550 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8751 -5.8751 -5.8747 -5.8747 -4.4298 -4.4296 -4.4282 -4.4282 -1.0903 -1.0902 -1.0895 -1.0893 1.2401 1.2407 1.2425 1.2432 2.2501 2.2517 2.2555 2.2566 3.6158 3.6159 3.6192 3.6196 4.4255 4.4259 4.4359 4.4362 4.9353 4.9365 4.9371 4.9374 7.6729 7.6730 7.6763 7.6766 8.7031 8.7032 8.7087 8.7088 9.2331 9.2336 k = 0.0312 0.0250 0.8007 ( 8550 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8751 -5.8750 -5.8747 -5.8746 -4.4301 -4.4298 -4.4285 -4.4284 -1.0879 -1.0877 -1.0872 -1.0867 1.2241 1.2252 1.2264 1.2278 2.2697 2.2729 2.2755 2.2776 3.6129 3.6130 3.6162 3.6170 4.4260 4.4269 4.4366 4.4370 4.9267 4.9289 4.9290 4.9296 7.6803 7.6805 7.6835 7.6842 8.7025 8.7026 8.7080 8.7081 9.2347 9.2357 k = 0.0469 0.0375 0.8007 ( 8546 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8750 -5.8749 -5.8746 -5.8745 -4.4306 -4.4301 -4.4289 -4.4288 -1.0841 -1.0837 -1.0834 -1.0827 1.1992 1.2008 1.2014 1.2034 2.3013 2.3059 2.3075 2.3105 3.6080 3.6082 3.6113 3.6125 4.4271 4.4284 4.4378 4.4384 4.9130 4.9157 4.9164 4.9167 7.6925 7.6927 7.6955 7.6965 8.7011 8.7013 8.7065 8.7066 9.2378 9.2393 k = 0.0625 0.0500 0.8007 ( 8544 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8749 -5.8748 -5.8746 -5.8743 -4.4313 -4.4305 -4.4295 -4.4293 -1.0788 -1.0784 -1.0782 -1.0773 1.1677 1.1695 1.1697 1.1721 2.3427 2.3486 2.3494 2.3532 3.6010 3.6013 3.6043 3.6061 4.4287 4.4305 4.4396 4.4404 4.8946 4.8978 4.8991 4.8991 7.7091 7.7093 7.7119 7.7131 8.6986 8.6989 8.7037 8.7038 9.2430 9.2449 k = 0.0781 0.0625 0.8007 ( 8536 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1842 -36.1841 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8747 -5.8746 -5.8744 -5.8741 -4.4320 -4.4311 -4.4301 -4.4300 -1.0723 -1.0718 -1.0718 -1.0707 1.1315 1.1334 1.1336 1.1361 2.3917 2.3990 2.3990 2.4035 3.5920 3.5923 3.5953 3.5976 4.4311 4.4333 4.4421 4.4430 4.8720 4.8757 4.8774 4.8776 7.7296 7.7298 7.7322 7.7338 8.6943 8.6947 8.6990 8.6992 9.2508 9.2532 k = 0.0938 0.0749 0.8007 ( 8528 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8746 -5.8745 -5.8743 -5.8739 -4.4328 -4.4317 -4.4309 -4.4307 -1.0649 -1.0644 -1.0642 -1.0630 1.0928 1.0945 1.0949 1.0975 2.4462 2.4543 2.4549 2.4593 3.5807 3.5811 3.5841 3.5870 4.4342 4.4369 4.4454 4.4465 4.8459 4.8501 4.8522 4.8525 7.7535 7.7538 7.7559 7.7578 8.6877 8.6883 8.6919 8.6922 9.2620 9.2647 k = 0.1094 0.0874 0.8007 ( 8526 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.8744 -5.8743 -5.8742 -5.8737 -4.4337 -4.4325 -4.4317 -4.4316 -1.0566 -1.0562 -1.0559 -1.0547 1.0532 1.0547 1.0554 1.0579 2.5043 2.5132 2.5144 2.5188 3.5671 3.5676 3.5705 3.5743 4.4383 4.4414 4.4496 4.4509 4.8170 4.8217 4.8241 4.8246 7.7803 7.7805 7.7824 7.7846 8.6784 8.6792 8.6821 8.6824 9.2771 9.2802 k = 0.1250 0.0999 0.8007 ( 8530 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8742 -5.8741 -5.8740 -5.8735 -4.4346 -4.4332 -4.4326 -4.4324 -1.0479 -1.0475 -1.0471 -1.0458 1.0142 1.0156 1.0163 1.0189 2.5643 2.5742 2.5759 2.5803 3.5513 3.5517 3.5547 3.5594 4.4435 4.4470 4.4550 4.4563 4.7861 4.7912 4.7940 4.7945 7.8090 7.8092 7.8109 7.8135 8.6661 8.6671 8.6692 8.6697 9.2966 9.3001 k = 0.1406 0.1124 0.8007 ( 8542 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8740 -5.8739 -5.8738 -5.8733 -4.4355 -4.4340 -4.4335 -4.4333 -1.0391 -1.0387 -1.0381 -1.0368 0.9770 0.9783 0.9791 0.9816 2.6246 2.6357 2.6378 2.6421 3.5332 3.5336 3.5366 3.5425 4.4500 4.4540 4.4616 4.4630 4.7539 4.7594 4.7626 4.7632 7.8390 7.8392 7.8407 7.8435 8.6511 8.6522 8.6536 8.6541 9.3208 9.3245 k = 0.1562 0.1249 0.8007 ( 8552 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4601 -36.4600 -36.4600 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8738 -5.8737 -5.8737 -5.8731 -4.4364 -4.4347 -4.4343 -4.4341 -1.0304 -1.0301 -1.0294 -1.0281 0.9428 0.9438 0.9448 0.9473 2.6836 2.6960 2.6987 2.7028 3.5131 3.5135 3.5165 3.5238 4.4579 4.4624 4.4698 4.4712 4.7212 4.7270 4.7307 4.7312 7.8692 7.8693 7.8706 7.8738 8.6338 8.6351 8.6356 8.6363 9.3495 9.3535 k = 0.1719 0.1374 0.8007 ( 8532 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.8737 -5.8735 -5.8735 -5.8729 -4.4372 -4.4354 -4.4351 -4.4349 -1.0223 -1.0221 -1.0213 -1.0199 0.9123 0.9132 0.9142 0.9167 2.7396 2.7536 2.7569 2.7608 3.4916 3.4919 3.4949 3.5038 4.4676 4.4725 4.4795 4.4810 4.6887 4.6949 4.6991 4.6995 7.8985 7.8987 7.8997 7.9032 8.6152 8.6164 8.6166 8.6172 9.3821 9.3866 k = 0.1875 0.1499 0.8007 ( 8528 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.8735 -5.8734 -5.8734 -5.8728 -4.4379 -4.4360 -4.4357 -4.4356 -1.0151 -1.0149 -1.0140 -1.0126 0.8863 0.8870 0.8882 0.8906 2.7908 2.8066 2.8105 2.8140 3.4695 3.4698 3.4725 3.4836 4.4791 4.4845 4.4912 4.4926 4.6572 4.6636 4.6682 4.6685 7.9257 7.9259 7.9267 7.9306 8.5965 8.5972 8.5979 8.5981 9.4178 9.4215 k = 0.2031 0.1624 0.8007 ( 8532 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1558 -36.1558 -5.8734 -5.8733 -5.8732 -5.8726 -4.4385 -4.4364 -4.4363 -4.4361 -1.0091 -1.0090 -1.0080 -1.0066 0.8655 0.8660 0.8672 0.8696 2.8349 2.8527 2.8573 2.8603 3.4483 3.4486 3.4510 3.4643 4.4927 4.4985 4.5048 4.5062 4.6272 4.6337 4.6388 4.6390 7.9493 7.9495 7.9501 7.9543 8.5793 8.5795 8.5805 8.5808 9.4548 9.4576 k = 0.2188 0.1749 0.8007 ( 8528 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.8733 -5.8732 -5.8731 -5.8725 -4.4389 -4.4368 -4.4367 -4.4366 -1.0046 -1.0045 -1.0035 -1.0020 0.8503 0.8506 0.8519 0.8543 2.8695 2.8892 2.8945 2.8967 3.4301 3.4305 3.4323 3.4480 4.5086 4.5146 4.5206 4.5219 4.5993 4.6057 4.6113 4.6115 7.9678 7.9680 7.9684 7.9729 8.5651 8.5654 8.5661 8.5668 9.4899 9.4921 k = 0.2344 0.1874 0.8007 ( 8520 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.8732 -5.8732 -5.8731 -5.8725 -4.4391 -4.4369 -4.4369 -4.4368 -1.0018 -1.0018 -1.0006 -0.9992 0.8410 0.8412 0.8426 0.8449 2.8918 2.9129 2.9190 2.9202 3.4175 3.4181 3.4191 3.4369 4.5266 4.5328 4.5380 4.5390 4.5745 4.5803 4.5863 4.5869 7.9796 7.9799 7.9801 7.9848 8.5556 8.5562 8.5566 8.5576 9.5174 9.5191 k = 0.2500 0.1999 0.8007 ( 8532 PWs) bands (ev): -69.5159 -69.5159 -69.5159 -69.5159 -36.4601 -36.4600 -36.4600 -36.4599 -36.1842 -36.1841 -36.1841 -36.1840 -36.1558 -36.1558 -36.1557 -36.1557 -5.8732 -5.8732 -5.8731 -5.8725 -4.4392 -4.4370 -4.4370 -4.4370 -1.0009 -1.0009 -0.9997 -0.9982 0.8380 0.8380 0.8394 0.8418 2.8995 2.9212 2.9280 2.9280 3.4130 3.4140 3.4140 3.4329 4.5447 4.5447 4.5475 4.5509 4.5630 4.5660 4.5660 4.5715 7.9837 7.9841 7.9841 7.9889 8.5523 8.5532 8.5532 8.5544 9.5283 9.5300 Writing output data file MgSiP2.save init_run : 3.03s CPU 14.08s WALL ( 1 calls) electrons : 1519.09s CPU 1529.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.44s CPU 1.53s WALL ( 1 calls) Called by electrons: c_bands : 1519.07s CPU 1529.59s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.86s WALL ( 1 calls) v_h : 0.07s CPU 0.07s WALL ( 1 calls) v_xc : 0.05s CPU 0.63s WALL ( 1 calls) newd : 0.87s CPU 1.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.26s WALL ( 279 calls) cegterg : 1428.36s CPU 1435.51s WALL ( 878 calls) Called by sum_band: Called by *egterg: h_psi : 817.90s CPU 828.74s WALL ( 16229 calls) s_psi : 80.56s CPU 80.91s WALL ( 16229 calls) g_psi : 1.69s CPU 1.66s WALL ( 15072 calls) cdiaghg : 372.75s CPU 368.97s WALL ( 15351 calls) cegterg:over : 94.56s CPU 91.63s WALL ( 15072 calls) cegterg:upda : 35.03s CPU 39.96s WALL ( 15072 calls) cegterg:last : 23.97s CPU 24.74s WALL ( 2036 calls) Called by h_psi: h_psi:vloc : 660.50s CPU 668.91s WALL ( 16229 calls) h_psi:vnl : 156.40s CPU 158.10s WALL ( 16229 calls) add_vuspsi : 62.25s CPU 67.63s WALL ( 16229 calls) General routines calbec : 94.07s CPU 90.33s WALL ( 16229 calls) fft : 0.21s CPU 1.22s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 621.05s CPU 623.60s WALL ( 1418120 calls) interpolate : 0.12s CPU 0.16s WALL ( 4 calls) davcio : 0.03s CPU 2.14s WALL ( 558 calls) Parallel routines fft_scatter : 366.98s CPU 362.57s WALL ( 1418143 calls) PWSCF : 26m33.98s CPU 29m12.71s WALL This run was terminated on: 22:49:52 20Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=