Program PWSCF v.5.1.1 starts on 13Oct2015 at 12:48:50 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: ./AlAsO4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 25 7 1101 475 76 Max 44 26 8 1106 495 81 Sum 2103 1223 361 52975 23355 3727 bravais-lattice index = 14 lattice parameter (alat) = 9.0682 a.u. unit-cell volume = 537.9312 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.068204 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.478665 celldm(5)= -0.478665 celldm(6)= -0.042671 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.042671 0.999089 0.000000 ) a(3) = ( -0.478665 -0.499545 0.722036 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.042710 0.692487 ) b(2) = ( 0.000000 1.000912 0.692487 ) b(3) = ( 0.000000 0.000000 1.384973 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 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. # 3 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) As 5.00 74.92160 As( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 353 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0000000 0.0000000 0.0150541), wk = 0.0028329 k( 3) = ( 0.0000000 0.0000000 0.0301081), wk = 0.0028329 k( 4) = ( 0.0000000 0.0000000 0.0451622), wk = 0.0028329 k( 5) = ( 0.0000000 0.0000000 0.0602162), wk = 0.0028329 k( 6) = ( 0.0000000 0.0000000 0.0752703), wk = 0.0028329 k( 7) = ( 0.0000000 0.0000000 0.0903243), wk = 0.0028329 k( 8) = ( 0.0000000 0.0000000 0.1053784), wk = 0.0028329 k( 9) = ( 0.0000000 0.0000000 0.1204324), wk = 0.0028329 k( 10) = ( 0.0000000 0.0000000 0.1354865), wk = 0.0028329 k( 11) = ( 0.0000000 0.0000000 0.1505406), wk = 0.0028329 k( 12) = ( 0.0000000 0.0000000 0.1655946), wk = 0.0028329 k( 13) = ( 0.0000000 0.0000000 0.1806487), wk = 0.0028329 k( 14) = ( 0.0000000 0.0000000 0.1957027), wk = 0.0028329 k( 15) = ( 0.0000000 0.0000000 0.2107568), wk = 0.0028329 k( 16) = ( 0.0000000 0.0000000 0.2258109), wk = 0.0028329 k( 17) = ( 0.0000000 0.0000000 0.2408649), wk = 0.0028329 k( 18) = ( 0.0000000 0.0000000 0.2559190), wk = 0.0028329 k( 19) = ( 0.0000000 0.0000000 0.2709730), wk = 0.0028329 k( 20) = ( 0.0000000 0.0000000 0.2860271), wk = 0.0028329 k( 21) = ( 0.0000000 0.0000000 0.3010811), wk = 0.0028329 k( 22) = ( 0.0000000 0.0000000 0.3161352), wk = 0.0028329 k( 23) = ( 0.0000000 0.0000000 0.3311892), wk = 0.0028329 k( 24) = ( 0.0000000 0.0000000 0.3462433), wk = 0.0028329 k( 25) = ( 0.0000000 0.0000000 0.3612974), wk = 0.0028329 k( 26) = ( 0.0000000 0.0000000 0.3763514), wk = 0.0028329 k( 27) = ( 0.0000000 0.0000000 0.3914055), wk = 0.0028329 k( 28) = ( 0.0000000 0.0000000 0.4064595), wk = 0.0028329 k( 29) = ( 0.0000000 0.0000000 0.4215136), wk = 0.0028329 k( 30) = ( 0.0000000 0.0000000 0.4365676), wk = 0.0028329 k( 31) = ( 0.0000000 0.0000000 0.4516217), wk = 0.0028329 k( 32) = ( 0.0000000 0.0000000 0.4666758), wk = 0.0028329 k( 33) = ( 0.0000000 0.0000000 0.4817298), wk = 0.0028329 k( 34) = ( 0.0000000 0.0000000 0.4967839), wk = 0.0028329 k( 35) = ( 0.0000000 0.0000000 0.5118379), wk = 0.0028329 k( 36) = ( 0.0000000 0.0000000 0.5268920), wk = 0.0028329 k( 37) = ( 0.0000000 0.0000000 0.5419460), wk = 0.0028329 k( 38) = ( 0.0000000 0.0000000 0.5570001), wk = 0.0028329 k( 39) = ( 0.0000000 0.0000000 0.5720542), wk = 0.0028329 k( 40) = ( 0.0000000 0.0000000 0.5871082), wk = 0.0028329 k( 41) = ( 0.0000000 0.0000000 0.6021623), wk = 0.0028329 k( 42) = ( 0.0000000 0.0000000 0.6172163), wk = 0.0028329 k( 43) = ( 0.0000000 0.0000000 0.6322704), wk = 0.0028329 k( 44) = ( 0.0000000 0.0000000 0.6473244), wk = 0.0028329 k( 45) = ( 0.0000000 0.0000000 0.6623785), wk = 0.0028329 k( 46) = ( 0.0000000 0.0000000 0.6774325), wk = 0.0028329 k( 47) = ( 0.0000000 0.0000000 0.6924866), wk = 0.0028329 k( 48) = ( 0.0000000 0.0000000 0.6924866), wk = 0.0028329 k( 49) = ( -0.0108915 0.0104362 0.6924866), wk = 0.0028329 k( 50) = ( -0.0217829 0.0208724 0.6924866), wk = 0.0028329 k( 51) = ( -0.0326744 0.0313086 0.6924866), wk = 0.0028329 k( 52) = ( -0.0435658 0.0417449 0.6924866), wk = 0.0028329 k( 53) = ( -0.0544573 0.0521811 0.6924866), wk = 0.0028329 k( 54) = ( -0.0653487 0.0626173 0.6924866), wk = 0.0028329 k( 55) = ( -0.0762402 0.0730535 0.6924866), wk = 0.0028329 k( 56) = ( -0.0871317 0.0834897 0.6924866), wk = 0.0028329 k( 57) = ( -0.0980231 0.0939259 0.6924866), wk = 0.0028329 k( 58) = ( -0.1089146 0.1043621 0.6924866), wk = 0.0028329 k( 59) = ( -0.1198060 0.1147984 0.6924866), wk = 0.0028329 k( 60) = ( -0.1306975 0.1252346 0.6924866), wk = 0.0028329 k( 61) = ( -0.1415889 0.1356708 0.6924866), wk = 0.0028329 k( 62) = ( -0.1524804 0.1461070 0.6924866), wk = 0.0028329 k( 63) = ( -0.1633719 0.1565432 0.6924866), wk = 0.0028329 k( 64) = ( -0.1742633 0.1669794 0.6924866), wk = 0.0028329 k( 65) = ( -0.1851548 0.1774157 0.6924866), wk = 0.0028329 k( 66) = ( -0.1960462 0.1878519 0.6924866), wk = 0.0028329 k( 67) = ( -0.2069377 0.1982881 0.6924866), wk = 0.0028329 k( 68) = ( -0.2178291 0.2087243 0.6924866), wk = 0.0028329 k( 69) = ( -0.2287206 0.2191605 0.6924866), wk = 0.0028329 k( 70) = ( -0.2396121 0.2295967 0.6924866), wk = 0.0028329 k( 71) = ( -0.2505035 0.2400329 0.6924866), wk = 0.0028329 k( 72) = ( -0.2613950 0.2504692 0.6924866), wk = 0.0028329 k( 73) = ( -0.2722864 0.2609054 0.6924866), wk = 0.0028329 k( 74) = ( -0.2722864 0.2609054 0.6924866), wk = 0.0028329 k( 75) = ( -0.2798769 0.2681786 0.6819740), wk = 0.0028329 k( 76) = ( -0.2874673 0.2754517 0.6714615), wk = 0.0028329 k( 77) = ( -0.2950578 0.2827249 0.6609489), wk = 0.0028329 k( 78) = ( -0.3026482 0.2899981 0.6504363), wk = 0.0028329 k( 79) = ( -0.3102387 0.2972713 0.6399237), wk = 0.0028329 k( 80) = ( -0.3178292 0.3045445 0.6294112), wk = 0.0028329 k( 81) = ( -0.3254196 0.3118177 0.6188986), wk = 0.0028329 k( 82) = ( -0.3330101 0.3190908 0.6083860), wk = 0.0028329 k( 83) = ( -0.3406005 0.3263640 0.5978734), wk = 0.0028329 k( 84) = ( -0.3481910 0.3336372 0.5873609), wk = 0.0028329 k( 85) = ( -0.3557814 0.3409104 0.5768483), wk = 0.0028329 k( 86) = ( -0.3633719 0.3481836 0.5663357), wk = 0.0028329 k( 87) = ( -0.3709623 0.3554568 0.5558232), wk = 0.0028329 k( 88) = ( -0.3785528 0.3627300 0.5453106), wk = 0.0028329 k( 89) = ( -0.3861432 0.3700031 0.5347980), wk = 0.0028329 k( 90) = ( -0.3861432 0.3700031 0.5347980), wk = 0.0028329 k( 91) = ( -0.3784204 0.3626031 0.5241020), wk = 0.0028329 k( 92) = ( -0.3706975 0.3552030 0.5134061), wk = 0.0028329 k( 93) = ( -0.3629746 0.3478029 0.5027101), wk = 0.0028329 k( 94) = ( -0.3552518 0.3404029 0.4920142), wk = 0.0028329 k( 95) = ( -0.3475289 0.3330028 0.4813182), wk = 0.0028329 k( 96) = ( -0.3398060 0.3256028 0.4706222), wk = 0.0028329 k( 97) = ( -0.3320832 0.3182027 0.4599263), wk = 0.0028329 k( 98) = ( -0.3243603 0.3108026 0.4492303), wk = 0.0028329 k( 99) = ( -0.3166374 0.3034026 0.4385344), wk = 0.0028329 k( 100) = ( -0.3089146 0.2960025 0.4278384), wk = 0.0028329 k( 101) = ( -0.3011917 0.2886025 0.4171424), wk = 0.0028329 k( 102) = ( -0.2934689 0.2812024 0.4064465), wk = 0.0028329 k( 103) = ( -0.2857460 0.2738023 0.3957505), wk = 0.0028329 k( 104) = ( -0.2780231 0.2664023 0.3850546), wk = 0.0028329 k( 105) = ( -0.2703003 0.2590022 0.3743586), wk = 0.0028329 k( 106) = ( -0.2625774 0.2516021 0.3636626), wk = 0.0028329 k( 107) = ( -0.2548545 0.2442021 0.3529667), wk = 0.0028329 k( 108) = ( -0.2471317 0.2368020 0.3422707), wk = 0.0028329 k( 109) = ( -0.2394088 0.2294019 0.3315748), wk = 0.0028329 k( 110) = ( -0.2316859 0.2220019 0.3208788), wk = 0.0028329 k( 111) = ( -0.2239631 0.2146018 0.3101829), wk = 0.0028329 k( 112) = ( -0.2162402 0.2072018 0.2994869), wk = 0.0028329 k( 113) = ( -0.2085173 0.1998017 0.2887909), wk = 0.0028329 k( 114) = ( -0.2007945 0.1924016 0.2780950), wk = 0.0028329 k( 115) = ( -0.1930716 0.1850016 0.2673990), wk = 0.0028329 k( 116) = ( -0.1853487 0.1776015 0.2567030), wk = 0.0028329 k( 117) = ( -0.1776259 0.1702014 0.2460071), wk = 0.0028329 k( 118) = ( -0.1699030 0.1628014 0.2353111), wk = 0.0028329 k( 119) = ( -0.1621801 0.1554013 0.2246152), wk = 0.0028329 k( 120) = ( -0.1544573 0.1480013 0.2139192), wk = 0.0028329 k( 121) = ( -0.1467344 0.1406012 0.2032232), wk = 0.0028329 k( 122) = ( -0.1390116 0.1332011 0.1925273), wk = 0.0028329 k( 123) = ( -0.1312887 0.1258011 0.1818313), wk = 0.0028329 k( 124) = ( -0.1235658 0.1184010 0.1711354), wk = 0.0028329 k( 125) = ( -0.1158430 0.1110009 0.1604394), wk = 0.0028329 k( 126) = ( -0.1081201 0.1036009 0.1497434), wk = 0.0028329 k( 127) = ( -0.1003972 0.0962008 0.1390475), wk = 0.0028329 k( 128) = ( -0.0926744 0.0888008 0.1283515), wk = 0.0028329 k( 129) = ( -0.0849515 0.0814007 0.1176556), wk = 0.0028329 k( 130) = ( -0.0772286 0.0740006 0.1069596), wk = 0.0028329 k( 131) = ( -0.0695058 0.0666006 0.0962636), wk = 0.0028329 k( 132) = ( -0.0617829 0.0592005 0.0855677), wk = 0.0028329 k( 133) = ( -0.0540600 0.0518004 0.0748717), wk = 0.0028329 k( 134) = ( -0.0463372 0.0444004 0.0641758), wk = 0.0028329 k( 135) = ( -0.0386143 0.0370003 0.0534798), wk = 0.0028329 k( 136) = ( -0.0308915 0.0296003 0.0427838), wk = 0.0028329 k( 137) = ( -0.0231686 0.0222002 0.0320879), wk = 0.0028329 k( 138) = ( -0.0154457 0.0148001 0.0213919), wk = 0.0028329 k( 139) = ( -0.0077229 0.0074001 0.0106960), wk = 0.0028329 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 142) = ( 0.0104167 0.0108711 -0.0000000), wk = 0.0028329 k( 143) = ( 0.0208333 0.0217421 -0.0000000), wk = 0.0028329 k( 144) = ( 0.0312500 0.0326132 -0.0000000), wk = 0.0028329 k( 145) = ( 0.0416667 0.0434842 -0.0000000), wk = 0.0028329 k( 146) = ( 0.0520833 0.0543553 -0.0000000), wk = 0.0028329 k( 147) = ( 0.0625000 0.0652263 -0.0000000), wk = 0.0028329 k( 148) = ( 0.0729167 0.0760974 -0.0000000), wk = 0.0028329 k( 149) = ( 0.0833333 0.0869685 -0.0000000), wk = 0.0028329 k( 150) = ( 0.0937500 0.0978395 -0.0000000), wk = 0.0028329 k( 151) = ( 0.1041667 0.1087106 -0.0000000), wk = 0.0028329 k( 152) = ( 0.1145833 0.1195816 -0.0000000), wk = 0.0028329 k( 153) = ( 0.1250000 0.1304527 -0.0000000), wk = 0.0028329 k( 154) = ( 0.1354167 0.1413237 -0.0000000), wk = 0.0028329 k( 155) = ( 0.1458333 0.1521948 -0.0000000), wk = 0.0028329 k( 156) = ( 0.1562500 0.1630659 -0.0000000), wk = 0.0028329 k( 157) = ( 0.1666667 0.1739369 -0.0000000), wk = 0.0028329 k( 158) = ( 0.1770833 0.1848080 -0.0000000), wk = 0.0028329 k( 159) = ( 0.1875000 0.1956790 -0.0000000), wk = 0.0028329 k( 160) = ( 0.1979167 0.2065501 -0.0000000), wk = 0.0028329 k( 161) = ( 0.2083333 0.2174211 -0.0000000), wk = 0.0028329 k( 162) = ( 0.2187500 0.2282922 -0.0000000), wk = 0.0028329 k( 163) = ( 0.2291667 0.2391633 -0.0000000), wk = 0.0028329 k( 164) = ( 0.2395833 0.2500343 -0.0000000), wk = 0.0028329 k( 165) = ( 0.2500000 0.2609054 -0.0000000), wk = 0.0028329 k( 166) = ( 0.2604167 0.2717764 -0.0000000), wk = 0.0028329 k( 167) = ( 0.2708333 0.2826475 -0.0000000), wk = 0.0028329 k( 168) = ( 0.2812500 0.2935185 -0.0000000), wk = 0.0028329 k( 169) = ( 0.2916667 0.3043896 -0.0000000), wk = 0.0028329 k( 170) = ( 0.3020833 0.3152606 -0.0000000), wk = 0.0028329 k( 171) = ( 0.3125000 0.3261317 -0.0000000), wk = 0.0028329 k( 172) = ( 0.3229167 0.3370028 -0.0000000), wk = 0.0028329 k( 173) = ( 0.3333333 0.3478738 -0.0000000), wk = 0.0028329 k( 174) = ( 0.3437500 0.3587449 -0.0000000), wk = 0.0028329 k( 175) = ( 0.3541667 0.3696159 -0.0000000), wk = 0.0028329 k( 176) = ( 0.3645833 0.3804870 -0.0000000), wk = 0.0028329 k( 177) = ( 0.3750000 0.3913580 -0.0000000), wk = 0.0028329 k( 178) = ( 0.3854167 0.4022291 -0.0000000), wk = 0.0028329 k( 179) = ( 0.3958333 0.4131002 -0.0000000), wk = 0.0028329 k( 180) = ( 0.4062500 0.4239712 -0.0000000), wk = 0.0028329 k( 181) = ( 0.4166667 0.4348423 -0.0000000), wk = 0.0028329 k( 182) = ( 0.4270833 0.4457133 -0.0000000), wk = 0.0028329 k( 183) = ( 0.4375000 0.4565844 -0.0000000), wk = 0.0028329 k( 184) = ( 0.4479167 0.4674554 -0.0000000), wk = 0.0028329 k( 185) = ( 0.4583333 0.4783265 -0.0000000), wk = 0.0028329 k( 186) = ( 0.4687500 0.4891976 -0.0000000), wk = 0.0028329 k( 187) = ( 0.4791667 0.5000686 -0.0000000), wk = 0.0028329 k( 188) = ( 0.4895833 0.5109397 -0.0000000), wk = 0.0028329 k( 189) = ( 0.5000000 0.5218107 -0.0000000), wk = 0.0028329 k( 190) = ( 0.5000000 0.5218107 -0.0000000), wk = 0.0028329 k( 191) = ( 0.4924095 0.5290839 0.0105126), wk = 0.0028329 k( 192) = ( 0.4848191 0.5363571 0.0210251), wk = 0.0028329 k( 193) = ( 0.4772286 0.5436303 0.0315377), wk = 0.0028329 k( 194) = ( 0.4696382 0.5509035 0.0420503), wk = 0.0028329 k( 195) = ( 0.4620477 0.5581767 0.0525629), wk = 0.0028329 k( 196) = ( 0.4544573 0.5654498 0.0630754), wk = 0.0028329 k( 197) = ( 0.4468668 0.5727230 0.0735880), wk = 0.0028329 k( 198) = ( 0.4392764 0.5799962 0.0841006), wk = 0.0028329 k( 199) = ( 0.4316859 0.5872694 0.0946132), wk = 0.0028329 k( 200) = ( 0.4240955 0.5945426 0.1051257), wk = 0.0028329 k( 201) = ( 0.4165050 0.6018158 0.1156383), wk = 0.0028329 k( 202) = ( 0.4089146 0.6090890 0.1261509), wk = 0.0028329 k( 203) = ( 0.4013241 0.6163621 0.1366634), wk = 0.0028329 k( 204) = ( 0.3937337 0.6236353 0.1471760), wk = 0.0028329 k( 205) = ( 0.3861432 0.6309085 0.1576886), wk = 0.0028329 k( 206) = ( 0.3861432 0.6309085 0.1576886), wk = 0.0028329 k( 207) = ( 0.3732718 0.6265601 0.1639737), wk = 0.0028329 k( 208) = ( 0.3604003 0.6222117 0.1702589), wk = 0.0028329 k( 209) = ( 0.3475289 0.6178632 0.1765441), wk = 0.0028329 k( 210) = ( 0.3346575 0.6135148 0.1828292), wk = 0.0028329 k( 211) = ( 0.3217860 0.6091664 0.1891144), wk = 0.0028329 k( 212) = ( 0.3089146 0.6048180 0.1953995), wk = 0.0028329 k( 213) = ( 0.2960431 0.6004695 0.2016847), wk = 0.0028329 k( 214) = ( 0.2831717 0.5961211 0.2079698), wk = 0.0028329 k( 215) = ( 0.2703003 0.5917727 0.2142550), wk = 0.0028329 k( 216) = ( 0.2574288 0.5874243 0.2205402), wk = 0.0028329 k( 217) = ( 0.2445574 0.5830759 0.2268253), wk = 0.0028329 k( 218) = ( 0.2316859 0.5787274 0.2331105), wk = 0.0028329 k( 219) = ( 0.2188145 0.5743790 0.2393956), wk = 0.0028329 k( 220) = ( 0.2059430 0.5700306 0.2456808), wk = 0.0028329 k( 221) = ( 0.1930716 0.5656822 0.2519659), wk = 0.0028329 k( 222) = ( 0.1802002 0.5613337 0.2582511), wk = 0.0028329 k( 223) = ( 0.1673287 0.5569853 0.2645363), wk = 0.0028329 k( 224) = ( 0.1544573 0.5526369 0.2708214), wk = 0.0028329 k( 225) = ( 0.1415859 0.5482885 0.2771066), wk = 0.0028329 k( 226) = ( 0.1287144 0.5439401 0.2833917), wk = 0.0028329 k( 227) = ( 0.1158430 0.5395916 0.2896769), wk = 0.0028329 k( 228) = ( 0.1029715 0.5352432 0.2959620), wk = 0.0028329 k( 229) = ( 0.0901001 0.5308948 0.3022472), wk = 0.0028329 k( 230) = ( 0.0772286 0.5265464 0.3085324), wk = 0.0028329 k( 231) = ( 0.0643572 0.5221979 0.3148175), wk = 0.0028329 k( 232) = ( 0.0514858 0.5178495 0.3211027), wk = 0.0028329 k( 233) = ( 0.0386143 0.5135011 0.3273878), wk = 0.0028329 k( 234) = ( 0.0257429 0.5091527 0.3336730), wk = 0.0028329 k( 235) = ( 0.0128714 0.5048043 0.3399581), wk = 0.0028329 k( 236) = ( 0.0000000 0.5004558 0.3462433), wk = 0.0028329 k( 237) = ( 0.0000000 0.5004558 0.3462433), wk = 0.0028329 k( 238) = ( 0.0075758 0.4931967 0.3567355), wk = 0.0028329 k( 239) = ( 0.0151515 0.4859376 0.3672277), wk = 0.0028329 k( 240) = ( 0.0227273 0.4786785 0.3777200), wk = 0.0028329 k( 241) = ( 0.0303030 0.4714194 0.3882122), wk = 0.0028329 k( 242) = ( 0.0378788 0.4641603 0.3987044), wk = 0.0028329 k( 243) = ( 0.0454546 0.4569012 0.4091966), wk = 0.0028329 k( 244) = ( 0.0530303 0.4496421 0.4196888), wk = 0.0028329 k( 245) = ( 0.0606061 0.4423830 0.4301811), wk = 0.0028329 k( 246) = ( 0.0681818 0.4351239 0.4406733), wk = 0.0028329 k( 247) = ( 0.0757576 0.4278648 0.4511655), wk = 0.0028329 k( 248) = ( 0.0833333 0.4206057 0.4616577), wk = 0.0028329 k( 249) = ( 0.0909091 0.4133466 0.4721500), wk = 0.0028329 k( 250) = ( 0.0984848 0.4060875 0.4826422), wk = 0.0028329 k( 251) = ( 0.1060606 0.3988284 0.4931344), wk = 0.0028329 k( 252) = ( 0.1136364 0.3915693 0.5036266), wk = 0.0028329 k( 253) = ( 0.1212121 0.3843101 0.5141188), wk = 0.0028329 k( 254) = ( 0.1287879 0.3770510 0.5246111), wk = 0.0028329 k( 255) = ( 0.1363636 0.3697919 0.5351033), wk = 0.0028329 k( 256) = ( 0.1439394 0.3625328 0.5455955), wk = 0.0028329 k( 257) = ( 0.1515151 0.3552737 0.5560877), wk = 0.0028329 k( 258) = ( 0.1590909 0.3480146 0.5665799), wk = 0.0028329 k( 259) = ( 0.1666667 0.3407555 0.5770722), wk = 0.0028329 k( 260) = ( 0.1742424 0.3334964 0.5875644), wk = 0.0028329 k( 261) = ( 0.1818182 0.3262373 0.5980566), wk = 0.0028329 k( 262) = ( 0.1893939 0.3189782 0.6085488), wk = 0.0028329 k( 263) = ( 0.1969697 0.3117191 0.6190411), wk = 0.0028329 k( 264) = ( 0.2045454 0.3044600 0.6295333), wk = 0.0028329 k( 265) = ( 0.2121212 0.2972009 0.6400255), wk = 0.0028329 k( 266) = ( 0.2196970 0.2899418 0.6505177), wk = 0.0028329 k( 267) = ( 0.2272727 0.2826827 0.6610099), wk = 0.0028329 k( 268) = ( 0.2348485 0.2754236 0.6715022), wk = 0.0028329 k( 269) = ( 0.2424242 0.2681645 0.6819944), wk = 0.0028329 k( 270) = ( 0.2500000 0.2609054 0.6924866), wk = 0.0028329 k( 271) = ( 0.2500000 0.2609054 0.6924866), wk = 0.0028329 k( 272) = ( 0.2571429 0.2683598 0.6817120), wk = 0.0028329 k( 273) = ( 0.2642857 0.2758142 0.6709375), wk = 0.0028329 k( 274) = ( 0.2714286 0.2832687 0.6601629), wk = 0.0028329 k( 275) = ( 0.2785714 0.2907231 0.6493884), wk = 0.0028329 k( 276) = ( 0.2857143 0.2981776 0.6386138), wk = 0.0028329 k( 277) = ( 0.2928571 0.3056320 0.6278393), wk = 0.0028329 k( 278) = ( 0.3000000 0.3130864 0.6170647), wk = 0.0028329 k( 279) = ( 0.3071429 0.3205409 0.6062902), wk = 0.0028329 k( 280) = ( 0.3142857 0.3279953 0.5955156), wk = 0.0028329 k( 281) = ( 0.3214286 0.3354498 0.5847410), wk = 0.0028329 k( 282) = ( 0.3285714 0.3429042 0.5739665), wk = 0.0028329 k( 283) = ( 0.3357143 0.3503586 0.5631920), wk = 0.0028329 k( 284) = ( 0.3428571 0.3578131 0.5524174), wk = 0.0028329 k( 285) = ( 0.3500000 0.3652675 0.5416428), wk = 0.0028329 k( 286) = ( 0.3571429 0.3727220 0.5308683), wk = 0.0028329 k( 287) = ( 0.3642857 0.3801764 0.5200937), wk = 0.0028329 k( 288) = ( 0.3714286 0.3876308 0.5093192), wk = 0.0028329 k( 289) = ( 0.3785714 0.3950853 0.4985446), wk = 0.0028329 k( 290) = ( 0.3857143 0.4025397 0.4877701), wk = 0.0028329 k( 291) = ( 0.3928571 0.4099941 0.4769955), wk = 0.0028329 k( 292) = ( 0.4000000 0.4174486 0.4662210), wk = 0.0028329 k( 293) = ( 0.4071429 0.4249030 0.4554464), wk = 0.0028329 k( 294) = ( 0.4142857 0.4323575 0.4446718), wk = 0.0028329 k( 295) = ( 0.4214286 0.4398119 0.4338973), wk = 0.0028329 k( 296) = ( 0.4285714 0.4472663 0.4231227), wk = 0.0028329 k( 297) = ( 0.4357143 0.4547208 0.4123482), wk = 0.0028329 k( 298) = ( 0.4428571 0.4621752 0.4015736), wk = 0.0028329 k( 299) = ( 0.4500000 0.4696297 0.3907991), wk = 0.0028329 k( 300) = ( 0.4571429 0.4770841 0.3800245), wk = 0.0028329 k( 301) = ( 0.4642857 0.4845385 0.3692499), wk = 0.0028329 k( 302) = ( 0.4714286 0.4919930 0.3584754), wk = 0.0028329 k( 303) = ( 0.4785714 0.4994474 0.3477008), wk = 0.0028329 k( 304) = ( 0.4857143 0.5069019 0.3369263), wk = 0.0028329 k( 305) = ( 0.4928571 0.5143563 0.3261517), wk = 0.0028329 k( 306) = ( 0.5000000 0.5218107 0.3153772), wk = 0.0028329 k( 307) = ( 0.5000000 0.5218107 0.3153772), wk = 0.0028329 k( 308) = ( 0.5000000 0.5218107 0.3003592), wk = 0.0028329 k( 309) = ( 0.5000000 0.5218107 0.2853413), wk = 0.0028329 k( 310) = ( 0.5000000 0.5218107 0.2703233), wk = 0.0028329 k( 311) = ( 0.5000000 0.5218107 0.2553053), wk = 0.0028329 k( 312) = ( 0.5000000 0.5218107 0.2402874), wk = 0.0028329 k( 313) = ( 0.5000000 0.5218107 0.2252694), wk = 0.0028329 k( 314) = ( 0.5000000 0.5218107 0.2102515), wk = 0.0028329 k( 315) = ( 0.5000000 0.5218107 0.1952335), wk = 0.0028329 k( 316) = ( 0.5000000 0.5218107 0.1802155), wk = 0.0028329 k( 317) = ( 0.5000000 0.5218107 0.1651976), wk = 0.0028329 k( 318) = ( 0.5000000 0.5218107 0.1501796), wk = 0.0028329 k( 319) = ( 0.5000000 0.5218107 0.1351617), wk = 0.0028329 k( 320) = ( 0.5000000 0.5218107 0.1201437), wk = 0.0028329 k( 321) = ( 0.5000000 0.5218107 0.1051257), wk = 0.0028329 k( 322) = ( 0.5000000 0.5218107 0.0901078), wk = 0.0028329 k( 323) = ( 0.5000000 0.5218107 0.0750898), wk = 0.0028329 k( 324) = ( 0.5000000 0.5218107 0.0600718), wk = 0.0028329 k( 325) = ( 0.5000000 0.5218107 0.0450539), wk = 0.0028329 k( 326) = ( 0.5000000 0.5218107 0.0300359), wk = 0.0028329 k( 327) = ( 0.5000000 0.5218107 0.0150180), wk = 0.0028329 k( 328) = ( 0.5000000 0.5218107 -0.0000000), wk = 0.0028329 k( 329) = ( 0.0000000 0.0000000 0.6924866), wk = 0.0028329 k( 330) = ( 0.0104167 0.0108711 0.6924866), wk = 0.0028329 k( 331) = ( 0.0208333 0.0217421 0.6924866), wk = 0.0028329 k( 332) = ( 0.0312500 0.0326132 0.6924866), wk = 0.0028329 k( 333) = ( 0.0416667 0.0434842 0.6924866), wk = 0.0028329 k( 334) = ( 0.0520833 0.0543553 0.6924866), wk = 0.0028329 k( 335) = ( 0.0625000 0.0652263 0.6924866), wk = 0.0028329 k( 336) = ( 0.0729167 0.0760974 0.6924866), wk = 0.0028329 k( 337) = ( 0.0833333 0.0869685 0.6924866), wk = 0.0028329 k( 338) = ( 0.0937500 0.0978395 0.6924866), wk = 0.0028329 k( 339) = ( 0.1041667 0.1087106 0.6924866), wk = 0.0028329 k( 340) = ( 0.1145833 0.1195816 0.6924866), wk = 0.0028329 k( 341) = ( 0.1250000 0.1304527 0.6924866), wk = 0.0028329 k( 342) = ( 0.1354167 0.1413237 0.6924866), wk = 0.0028329 k( 343) = ( 0.1458333 0.1521948 0.6924866), wk = 0.0028329 k( 344) = ( 0.1562500 0.1630659 0.6924866), wk = 0.0028329 k( 345) = ( 0.1666667 0.1739369 0.6924866), wk = 0.0028329 k( 346) = ( 0.1770833 0.1848080 0.6924866), wk = 0.0028329 k( 347) = ( 0.1875000 0.1956790 0.6924866), wk = 0.0028329 k( 348) = ( 0.1979167 0.2065501 0.6924866), wk = 0.0028329 k( 349) = ( 0.2083333 0.2174211 0.6924866), wk = 0.0028329 k( 350) = ( 0.2187500 0.2282922 0.6924866), wk = 0.0028329 k( 351) = ( 0.2291667 0.2391633 0.6924866), wk = 0.0028329 k( 352) = ( 0.2395833 0.2500343 0.6924866), wk = 0.0028329 k( 353) = ( 0.2500000 0.2609054 0.6924866), wk = 0.0028329 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0000000 0.0000000 0.0108696), wk = 0.0028329 k( 3) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0028329 k( 4) = ( 0.0000000 0.0000000 0.0326087), wk = 0.0028329 k( 5) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0028329 k( 6) = ( 0.0000000 0.0000000 0.0543478), wk = 0.0028329 k( 7) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0028329 k( 8) = ( 0.0000000 0.0000000 0.0760870), wk = 0.0028329 k( 9) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0028329 k( 10) = ( 0.0000000 0.0000000 0.0978261), wk = 0.0028329 k( 11) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0028329 k( 12) = ( 0.0000000 0.0000000 0.1195652), wk = 0.0028329 k( 13) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0028329 k( 14) = ( 0.0000000 0.0000000 0.1413043), wk = 0.0028329 k( 15) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0028329 k( 16) = ( 0.0000000 0.0000000 0.1630435), wk = 0.0028329 k( 17) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0028329 k( 18) = ( 0.0000000 0.0000000 0.1847826), wk = 0.0028329 k( 19) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0028329 k( 20) = ( 0.0000000 0.0000000 0.2065217), wk = 0.0028329 k( 21) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0028329 k( 22) = ( 0.0000000 0.0000000 0.2282609), wk = 0.0028329 k( 23) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0028329 k( 24) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028329 k( 25) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0028329 k( 26) = ( 0.0000000 0.0000000 0.2717391), wk = 0.0028329 k( 27) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0028329 k( 28) = ( 0.0000000 0.0000000 0.2934783), wk = 0.0028329 k( 29) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0028329 k( 30) = ( 0.0000000 0.0000000 0.3152174), wk = 0.0028329 k( 31) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0028329 k( 32) = ( 0.0000000 0.0000000 0.3369565), wk = 0.0028329 k( 33) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0028329 k( 34) = ( 0.0000000 0.0000000 0.3586956), wk = 0.0028329 k( 35) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0028329 k( 36) = ( 0.0000000 0.0000000 0.3804348), wk = 0.0028329 k( 37) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0028329 k( 38) = ( 0.0000000 0.0000000 0.4021739), wk = 0.0028329 k( 39) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0028329 k( 40) = ( 0.0000000 0.0000000 0.4239130), wk = 0.0028329 k( 41) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0028329 k( 42) = ( 0.0000000 0.0000000 0.4456522), wk = 0.0028329 k( 43) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0028329 k( 44) = ( 0.0000000 0.0000000 0.4673913), wk = 0.0028329 k( 45) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0028329 k( 46) = ( 0.0000000 0.0000000 0.4891304), wk = 0.0028329 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 48) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 49) = ( -0.0108915 0.0108915 0.5000000), wk = 0.0028329 k( 50) = ( -0.0217829 0.0217829 0.5000000), wk = 0.0028329 k( 51) = ( -0.0326744 0.0326744 0.5000000), wk = 0.0028329 k( 52) = ( -0.0435658 0.0435658 0.5000000), wk = 0.0028329 k( 53) = ( -0.0544573 0.0544573 0.5000000), wk = 0.0028329 k( 54) = ( -0.0653487 0.0653487 0.5000000), wk = 0.0028329 k( 55) = ( -0.0762402 0.0762402 0.5000000), wk = 0.0028329 k( 56) = ( -0.0871317 0.0871317 0.5000000), wk = 0.0028329 k( 57) = ( -0.0980231 0.0980231 0.5000000), wk = 0.0028329 k( 58) = ( -0.1089146 0.1089146 0.5000000), wk = 0.0028329 k( 59) = ( -0.1198060 0.1198060 0.5000000), wk = 0.0028329 k( 60) = ( -0.1306975 0.1306975 0.5000000), wk = 0.0028329 k( 61) = ( -0.1415889 0.1415890 0.5000000), wk = 0.0028329 k( 62) = ( -0.1524804 0.1524804 0.5000000), wk = 0.0028329 k( 63) = ( -0.1633719 0.1633719 0.5000000), wk = 0.0028329 k( 64) = ( -0.1742633 0.1742633 0.5000000), wk = 0.0028329 k( 65) = ( -0.1851548 0.1851548 0.5000000), wk = 0.0028329 k( 66) = ( -0.1960462 0.1960462 0.5000000), wk = 0.0028329 k( 67) = ( -0.2069377 0.2069377 0.5000000), wk = 0.0028329 k( 68) = ( -0.2178291 0.2178292 0.5000000), wk = 0.0028329 k( 69) = ( -0.2287206 0.2287206 0.5000000), wk = 0.0028329 k( 70) = ( -0.2396121 0.2396121 0.5000000), wk = 0.0028329 k( 71) = ( -0.2505035 0.2505035 0.5000000), wk = 0.0028329 k( 72) = ( -0.2613950 0.2613950 0.5000000), wk = 0.0028329 k( 73) = ( -0.2722864 0.2722864 0.5000000), wk = 0.0028329 k( 74) = ( -0.2722864 0.2722864 0.5000000), wk = 0.0028329 k( 75) = ( -0.2798769 0.2798769 0.4924095), wk = 0.0028329 k( 76) = ( -0.2874673 0.2874673 0.4848191), wk = 0.0028329 k( 77) = ( -0.2950578 0.2950578 0.4772286), wk = 0.0028329 k( 78) = ( -0.3026482 0.3026482 0.4696382), wk = 0.0028329 k( 79) = ( -0.3102387 0.3102387 0.4620477), wk = 0.0028329 k( 80) = ( -0.3178292 0.3178292 0.4544573), wk = 0.0028329 k( 81) = ( -0.3254196 0.3254196 0.4468668), wk = 0.0028329 k( 82) = ( -0.3330101 0.3330101 0.4392764), wk = 0.0028329 k( 83) = ( -0.3406005 0.3406005 0.4316859), wk = 0.0028329 k( 84) = ( -0.3481910 0.3481910 0.4240955), wk = 0.0028329 k( 85) = ( -0.3557814 0.3557814 0.4165050), wk = 0.0028329 k( 86) = ( -0.3633719 0.3633719 0.4089146), wk = 0.0028329 k( 87) = ( -0.3709623 0.3709623 0.4013241), wk = 0.0028329 k( 88) = ( -0.3785528 0.3785528 0.3937337), wk = 0.0028329 k( 89) = ( -0.3861432 0.3861432 0.3861432), wk = 0.0028329 k( 90) = ( -0.3861432 0.3861432 0.3861432), wk = 0.0028329 k( 91) = ( -0.3784204 0.3784204 0.3784203), wk = 0.0028329 k( 92) = ( -0.3706975 0.3706975 0.3706975), wk = 0.0028329 k( 93) = ( -0.3629746 0.3629746 0.3629746), wk = 0.0028329 k( 94) = ( -0.3552518 0.3552518 0.3552518), wk = 0.0028329 k( 95) = ( -0.3475289 0.3475289 0.3475289), wk = 0.0028329 k( 96) = ( -0.3398060 0.3398060 0.3398060), wk = 0.0028329 k( 97) = ( -0.3320832 0.3320832 0.3320832), wk = 0.0028329 k( 98) = ( -0.3243603 0.3243603 0.3243603), wk = 0.0028329 k( 99) = ( -0.3166374 0.3166374 0.3166374), wk = 0.0028329 k( 100) = ( -0.3089146 0.3089146 0.3089146), wk = 0.0028329 k( 101) = ( -0.3011917 0.3011917 0.3011917), wk = 0.0028329 k( 102) = ( -0.2934689 0.2934689 0.2934689), wk = 0.0028329 k( 103) = ( -0.2857460 0.2857460 0.2857460), wk = 0.0028329 k( 104) = ( -0.2780231 0.2780231 0.2780231), wk = 0.0028329 k( 105) = ( -0.2703003 0.2703003 0.2703003), wk = 0.0028329 k( 106) = ( -0.2625774 0.2625774 0.2625774), wk = 0.0028329 k( 107) = ( -0.2548545 0.2548545 0.2548545), wk = 0.0028329 k( 108) = ( -0.2471317 0.2471317 0.2471317), wk = 0.0028329 k( 109) = ( -0.2394088 0.2394088 0.2394088), wk = 0.0028329 k( 110) = ( -0.2316859 0.2316859 0.2316859), wk = 0.0028329 k( 111) = ( -0.2239631 0.2239631 0.2239631), wk = 0.0028329 k( 112) = ( -0.2162402 0.2162402 0.2162402), wk = 0.0028329 k( 113) = ( -0.2085173 0.2085173 0.2085173), wk = 0.0028329 k( 114) = ( -0.2007945 0.2007945 0.2007945), wk = 0.0028329 k( 115) = ( -0.1930716 0.1930716 0.1930716), wk = 0.0028329 k( 116) = ( -0.1853487 0.1853487 0.1853487), wk = 0.0028329 k( 117) = ( -0.1776259 0.1776259 0.1776259), wk = 0.0028329 k( 118) = ( -0.1699030 0.1699030 0.1699030), wk = 0.0028329 k( 119) = ( -0.1621801 0.1621802 0.1621801), wk = 0.0028329 k( 120) = ( -0.1544573 0.1544573 0.1544573), wk = 0.0028329 k( 121) = ( -0.1467344 0.1467344 0.1467344), wk = 0.0028329 k( 122) = ( -0.1390116 0.1390116 0.1390116), wk = 0.0028329 k( 123) = ( -0.1312887 0.1312887 0.1312887), wk = 0.0028329 k( 124) = ( -0.1235658 0.1235658 0.1235658), wk = 0.0028329 k( 125) = ( -0.1158430 0.1158430 0.1158430), wk = 0.0028329 k( 126) = ( -0.1081201 0.1081201 0.1081201), wk = 0.0028329 k( 127) = ( -0.1003972 0.1003972 0.1003972), wk = 0.0028329 k( 128) = ( -0.0926744 0.0926744 0.0926744), wk = 0.0028329 k( 129) = ( -0.0849515 0.0849515 0.0849515), wk = 0.0028329 k( 130) = ( -0.0772286 0.0772286 0.0772286), wk = 0.0028329 k( 131) = ( -0.0695058 0.0695058 0.0695058), wk = 0.0028329 k( 132) = ( -0.0617829 0.0617829 0.0617829), wk = 0.0028329 k( 133) = ( -0.0540600 0.0540601 0.0540600), wk = 0.0028329 k( 134) = ( -0.0463372 0.0463372 0.0463372), wk = 0.0028329 k( 135) = ( -0.0386143 0.0386143 0.0386143), wk = 0.0028329 k( 136) = ( -0.0308915 0.0308915 0.0308915), wk = 0.0028329 k( 137) = ( -0.0231686 0.0231686 0.0231686), wk = 0.0028329 k( 138) = ( -0.0154457 0.0154457 0.0154457), wk = 0.0028329 k( 139) = ( -0.0077229 0.0077229 0.0077229), wk = 0.0028329 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 142) = ( 0.0104167 0.0104167 -0.0104167), wk = 0.0028329 k( 143) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0028329 k( 144) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0028329 k( 145) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0028329 k( 146) = ( 0.0520833 0.0520833 -0.0520833), wk = 0.0028329 k( 147) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0028329 k( 148) = ( 0.0729167 0.0729167 -0.0729167), wk = 0.0028329 k( 149) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0028329 k( 150) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0028329 k( 151) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0028329 k( 152) = ( 0.1145833 0.1145833 -0.1145833), wk = 0.0028329 k( 153) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0028329 k( 154) = ( 0.1354167 0.1354167 -0.1354167), wk = 0.0028329 k( 155) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0028329 k( 156) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0028329 k( 157) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0028329 k( 158) = ( 0.1770833 0.1770833 -0.1770833), wk = 0.0028329 k( 159) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0028329 k( 160) = ( 0.1979167 0.1979167 -0.1979167), wk = 0.0028329 k( 161) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0028329 k( 162) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0028329 k( 163) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0028329 k( 164) = ( 0.2395833 0.2395833 -0.2395833), wk = 0.0028329 k( 165) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0028329 k( 166) = ( 0.2604167 0.2604167 -0.2604167), wk = 0.0028329 k( 167) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0028329 k( 168) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0028329 k( 169) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0028329 k( 170) = ( 0.3020833 0.3020833 -0.3020833), wk = 0.0028329 k( 171) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0028329 k( 172) = ( 0.3229167 0.3229167 -0.3229167), wk = 0.0028329 k( 173) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0028329 k( 174) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0028329 k( 175) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0028329 k( 176) = ( 0.3645833 0.3645833 -0.3645833), wk = 0.0028329 k( 177) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0028329 k( 178) = ( 0.3854167 0.3854167 -0.3854167), wk = 0.0028329 k( 179) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0028329 k( 180) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0028329 k( 181) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0028329 k( 182) = ( 0.4270833 0.4270833 -0.4270833), wk = 0.0028329 k( 183) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0028329 k( 184) = ( 0.4479167 0.4479167 -0.4479167), wk = 0.0028329 k( 185) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0028329 k( 186) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0028329 k( 187) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0028329 k( 188) = ( 0.4895833 0.4895833 -0.4895833), wk = 0.0028329 k( 189) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028329 k( 190) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028329 k( 191) = ( 0.4924095 0.5075905 -0.4924096), wk = 0.0028329 k( 192) = ( 0.4848191 0.5151809 -0.4848191), wk = 0.0028329 k( 193) = ( 0.4772286 0.5227714 -0.4772286), wk = 0.0028329 k( 194) = ( 0.4696382 0.5303618 -0.4696382), wk = 0.0028329 k( 195) = ( 0.4620477 0.5379523 -0.4620477), wk = 0.0028329 k( 196) = ( 0.4544573 0.5455427 -0.4544573), wk = 0.0028329 k( 197) = ( 0.4468668 0.5531332 -0.4468668), wk = 0.0028329 k( 198) = ( 0.4392764 0.5607236 -0.4392764), wk = 0.0028329 k( 199) = ( 0.4316859 0.5683141 -0.4316859), wk = 0.0028329 k( 200) = ( 0.4240955 0.5759045 -0.4240955), wk = 0.0028329 k( 201) = ( 0.4165050 0.5834950 -0.4165050), wk = 0.0028329 k( 202) = ( 0.4089146 0.5910854 -0.4089146), wk = 0.0028329 k( 203) = ( 0.4013241 0.5986759 -0.4013241), wk = 0.0028329 k( 204) = ( 0.3937337 0.6062663 -0.3937337), wk = 0.0028329 k( 205) = ( 0.3861432 0.6138568 -0.3861432), wk = 0.0028329 k( 206) = ( 0.3861432 0.6138568 -0.3861432), wk = 0.0028329 k( 207) = ( 0.3732718 0.6100616 -0.3732718), wk = 0.0028329 k( 208) = ( 0.3604003 0.6062663 -0.3604003), wk = 0.0028329 k( 209) = ( 0.3475289 0.6024711 -0.3475289), wk = 0.0028329 k( 210) = ( 0.3346575 0.5986759 -0.3346575), wk = 0.0028329 k( 211) = ( 0.3217860 0.5948807 -0.3217860), wk = 0.0028329 k( 212) = ( 0.3089146 0.5910854 -0.3089146), wk = 0.0028329 k( 213) = ( 0.2960431 0.5872902 -0.2960431), wk = 0.0028329 k( 214) = ( 0.2831717 0.5834950 -0.2831717), wk = 0.0028329 k( 215) = ( 0.2703003 0.5796997 -0.2703003), wk = 0.0028329 k( 216) = ( 0.2574288 0.5759045 -0.2574288), wk = 0.0028329 k( 217) = ( 0.2445574 0.5721093 -0.2445574), wk = 0.0028329 k( 218) = ( 0.2316859 0.5683141 -0.2316859), wk = 0.0028329 k( 219) = ( 0.2188145 0.5645188 -0.2188145), wk = 0.0028329 k( 220) = ( 0.2059430 0.5607236 -0.2059431), wk = 0.0028329 k( 221) = ( 0.1930716 0.5569284 -0.1930716), wk = 0.0028329 k( 222) = ( 0.1802002 0.5531332 -0.1802002), wk = 0.0028329 k( 223) = ( 0.1673287 0.5493379 -0.1673287), wk = 0.0028329 k( 224) = ( 0.1544573 0.5455427 -0.1544573), wk = 0.0028329 k( 225) = ( 0.1415859 0.5417475 -0.1415859), wk = 0.0028329 k( 226) = ( 0.1287144 0.5379523 -0.1287144), wk = 0.0028329 k( 227) = ( 0.1158430 0.5341570 -0.1158430), wk = 0.0028329 k( 228) = ( 0.1029715 0.5303618 -0.1029715), wk = 0.0028329 k( 229) = ( 0.0901001 0.5265666 -0.0901001), wk = 0.0028329 k( 230) = ( 0.0772286 0.5227714 -0.0772286), wk = 0.0028329 k( 231) = ( 0.0643572 0.5189761 -0.0643572), wk = 0.0028329 k( 232) = ( 0.0514858 0.5151809 -0.0514858), wk = 0.0028329 k( 233) = ( 0.0386143 0.5113857 -0.0386143), wk = 0.0028329 k( 234) = ( 0.0257429 0.5075905 -0.0257429), wk = 0.0028329 k( 235) = ( 0.0128714 0.5037952 -0.0128714), wk = 0.0028329 k( 236) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028329 k( 237) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028329 k( 238) = ( 0.0075758 0.4924242 0.0075758), wk = 0.0028329 k( 239) = ( 0.0151515 0.4848485 0.0151515), wk = 0.0028329 k( 240) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0028329 k( 241) = ( 0.0303030 0.4696970 0.0303030), wk = 0.0028329 k( 242) = ( 0.0378788 0.4621212 0.0378788), wk = 0.0028329 k( 243) = ( 0.0454546 0.4545455 0.0454545), wk = 0.0028329 k( 244) = ( 0.0530303 0.4469697 0.0530303), wk = 0.0028329 k( 245) = ( 0.0606061 0.4393939 0.0606061), wk = 0.0028329 k( 246) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0028329 k( 247) = ( 0.0757576 0.4242424 0.0757576), wk = 0.0028329 k( 248) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0028329 k( 249) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0028329 k( 250) = ( 0.0984848 0.4015151 0.0984849), wk = 0.0028329 k( 251) = ( 0.1060606 0.3939394 0.1060606), wk = 0.0028329 k( 252) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0028329 k( 253) = ( 0.1212121 0.3787879 0.1212121), wk = 0.0028329 k( 254) = ( 0.1287879 0.3712121 0.1287879), wk = 0.0028329 k( 255) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0028329 k( 256) = ( 0.1439394 0.3560606 0.1439394), wk = 0.0028329 k( 257) = ( 0.1515151 0.3484849 0.1515151), wk = 0.0028329 k( 258) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0028329 k( 259) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0028329 k( 260) = ( 0.1742424 0.3257576 0.1742424), wk = 0.0028329 k( 261) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0028329 k( 262) = ( 0.1893939 0.3106061 0.1893939), wk = 0.0028329 k( 263) = ( 0.1969697 0.3030303 0.1969697), wk = 0.0028329 k( 264) = ( 0.2045454 0.2954545 0.2045454), wk = 0.0028329 k( 265) = ( 0.2121212 0.2878788 0.2121212), wk = 0.0028329 k( 266) = ( 0.2196970 0.2803030 0.2196970), wk = 0.0028329 k( 267) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0028329 k( 268) = ( 0.2348485 0.2651515 0.2348485), wk = 0.0028329 k( 269) = ( 0.2424242 0.2575758 0.2424242), wk = 0.0028329 k( 270) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028329 k( 271) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028329 k( 272) = ( 0.2571429 0.2571429 0.2350775), wk = 0.0028329 k( 273) = ( 0.2642857 0.2642857 0.2201551), wk = 0.0028329 k( 274) = ( 0.2714286 0.2714286 0.2052326), wk = 0.0028329 k( 275) = ( 0.2785714 0.2785714 0.1903101), wk = 0.0028329 k( 276) = ( 0.2857143 0.2857143 0.1753877), wk = 0.0028329 k( 277) = ( 0.2928571 0.2928571 0.1604652), wk = 0.0028329 k( 278) = ( 0.3000000 0.3000000 0.1455427), wk = 0.0028329 k( 279) = ( 0.3071429 0.3071429 0.1306202), wk = 0.0028329 k( 280) = ( 0.3142857 0.3142857 0.1156978), wk = 0.0028329 k( 281) = ( 0.3214286 0.3214286 0.1007753), wk = 0.0028329 k( 282) = ( 0.3285714 0.3285714 0.0858528), wk = 0.0028329 k( 283) = ( 0.3357143 0.3357143 0.0709304), wk = 0.0028329 k( 284) = ( 0.3428571 0.3428571 0.0560079), wk = 0.0028329 k( 285) = ( 0.3500000 0.3500000 0.0410854), wk = 0.0028329 k( 286) = ( 0.3571429 0.3571429 0.0261630), wk = 0.0028329 k( 287) = ( 0.3642857 0.3642857 0.0112405), wk = 0.0028329 k( 288) = ( 0.3714286 0.3714286 -0.0036820), wk = 0.0028329 k( 289) = ( 0.3785714 0.3785714 -0.0186045), wk = 0.0028329 k( 290) = ( 0.3857143 0.3857143 -0.0335269), wk = 0.0028329 k( 291) = ( 0.3928571 0.3928571 -0.0484494), wk = 0.0028329 k( 292) = ( 0.4000000 0.4000000 -0.0633719), wk = 0.0028329 k( 293) = ( 0.4071429 0.4071429 -0.0782943), wk = 0.0028329 k( 294) = ( 0.4142857 0.4142857 -0.0932168), wk = 0.0028329 k( 295) = ( 0.4214286 0.4214286 -0.1081393), wk = 0.0028329 k( 296) = ( 0.4285714 0.4285714 -0.1230617), wk = 0.0028329 k( 297) = ( 0.4357143 0.4357143 -0.1379842), wk = 0.0028329 k( 298) = ( 0.4428571 0.4428571 -0.1529067), wk = 0.0028329 k( 299) = ( 0.4500000 0.4500000 -0.1678292), wk = 0.0028329 k( 300) = ( 0.4571429 0.4571429 -0.1827516), wk = 0.0028329 k( 301) = ( 0.4642857 0.4642857 -0.1976741), wk = 0.0028329 k( 302) = ( 0.4714286 0.4714286 -0.2125966), wk = 0.0028329 k( 303) = ( 0.4785714 0.4785714 -0.2275190), wk = 0.0028329 k( 304) = ( 0.4857143 0.4857143 -0.2424415), wk = 0.0028329 k( 305) = ( 0.4928571 0.4928571 -0.2573640), wk = 0.0028329 k( 306) = ( 0.5000000 0.5000000 -0.2722864), wk = 0.0028329 k( 307) = ( 0.5000000 0.5000000 -0.2722864), wk = 0.0028329 k( 308) = ( 0.5000000 0.5000000 -0.2831299), wk = 0.0028329 k( 309) = ( 0.5000000 0.5000000 -0.2939734), wk = 0.0028329 k( 310) = ( 0.5000000 0.5000000 -0.3048169), wk = 0.0028329 k( 311) = ( 0.5000000 0.5000000 -0.3156604), wk = 0.0028329 k( 312) = ( 0.5000000 0.5000000 -0.3265039), wk = 0.0028329 k( 313) = ( 0.5000000 0.5000000 -0.3373474), wk = 0.0028329 k( 314) = ( 0.5000000 0.5000000 -0.3481910), wk = 0.0028329 k( 315) = ( 0.5000000 0.5000000 -0.3590345), wk = 0.0028329 k( 316) = ( 0.5000000 0.5000000 -0.3698780), wk = 0.0028329 k( 317) = ( 0.5000000 0.5000000 -0.3807215), wk = 0.0028329 k( 318) = ( 0.5000000 0.5000000 -0.3915650), wk = 0.0028329 k( 319) = ( 0.5000000 0.5000000 -0.4024085), wk = 0.0028329 k( 320) = ( 0.5000000 0.5000000 -0.4132520), wk = 0.0028329 k( 321) = ( 0.5000000 0.5000000 -0.4240955), wk = 0.0028329 k( 322) = ( 0.5000000 0.5000000 -0.4349390), wk = 0.0028329 k( 323) = ( 0.5000000 0.5000000 -0.4457825), wk = 0.0028329 k( 324) = ( 0.5000000 0.5000000 -0.4566260), wk = 0.0028329 k( 325) = ( 0.5000000 0.5000000 -0.4674695), wk = 0.0028329 k( 326) = ( 0.5000000 0.5000000 -0.4783130), wk = 0.0028329 k( 327) = ( 0.5000000 0.5000000 -0.4891565), wk = 0.0028329 k( 328) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028329 k( 329) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028329 k( 330) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0028329 k( 331) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0028329 k( 332) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0028329 k( 333) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0028329 k( 334) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0028329 k( 335) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0028329 k( 336) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0028329 k( 337) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0028329 k( 338) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0028329 k( 339) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0028329 k( 340) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0028329 k( 341) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0028329 k( 342) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0028329 k( 343) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0028329 k( 344) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0028329 k( 345) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0028329 k( 346) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0028329 k( 347) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0028329 k( 348) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0028329 k( 349) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0028329 k( 350) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0028329 k( 351) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0028329 k( 352) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0028329 k( 353) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028329 Dense grid: 52975 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 23355 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 128, 40) NL pseudopotentials 0.10 Mb ( 64, 104) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1103) G-vector shells 0.00 Mb ( 535) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.31 Mb ( 128, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.13 Mb ( 104, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./AlAsO4.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.8 secs Computing kpt #: 2 total cpu time spent up to now is 44.0 secs Computing kpt #: 3 total cpu time spent up to now is 45.2 secs Computing kpt #: 4 total cpu time spent up to now is 46.4 secs Computing kpt #: 5 total cpu time spent up to now is 47.6 secs Computing kpt #: 6 total cpu time spent up to now is 48.8 secs Computing kpt #: 7 total cpu time spent up to now is 50.1 secs Computing kpt #: 8 total cpu time spent up to now is 51.3 secs Computing kpt #: 9 total cpu time spent up to now is 52.5 secs Computing kpt #: 10 total cpu time spent up to now is 53.8 secs Computing kpt #: 11 total cpu time spent up to now is 55.1 secs Computing kpt #: 12 total cpu time spent up to now is 56.3 secs Computing kpt #: 13 total cpu time spent up to now is 57.5 secs Computing kpt #: 14 total cpu time spent up to now is 58.7 secs Computing kpt #: 15 total cpu time spent up to now is 59.9 secs Computing kpt #: 16 total cpu time spent up to now is 61.0 secs Computing kpt #: 17 total cpu time spent up to now is 62.1 secs Computing kpt #: 18 total cpu time spent up to now is 63.2 secs Computing kpt #: 19 total cpu time spent up to now is 64.6 secs Computing kpt #: 20 total cpu time spent up to now is 65.7 secs Computing kpt #: 21 total cpu time spent up to now is 66.8 secs Computing kpt #: 22 total cpu time spent up to now is 67.9 secs Computing kpt #: 23 total cpu time spent up to now is 68.9 secs Computing kpt #: 24 total cpu time spent up to now is 69.8 secs Computing kpt #: 25 total cpu time spent up to now is 70.9 secs Computing kpt #: 26 total cpu time spent up to now is 71.8 secs Computing kpt #: 27 total cpu time spent up to now is 72.7 secs Computing kpt #: 28 total cpu time spent up to now is 73.6 secs Computing kpt #: 29 total cpu time spent up to now is 74.4 secs Computing kpt #: 30 total cpu time spent up to now is 75.3 secs Computing kpt #: 31 total cpu time spent up to now is 76.1 secs Computing kpt #: 32 total cpu time spent up to now is 77.0 secs Computing kpt #: 33 total cpu time spent up to now is 77.8 secs Computing kpt #: 34 total cpu time spent up to now is 78.7 secs Computing kpt #: 35 total cpu time spent up to now is 80.2 secs Computing kpt #: 36 total cpu time spent up to now is 81.4 secs Computing kpt #: 37 total cpu time spent up to now is 82.7 secs Computing kpt #: 38 total cpu time spent up to now is 84.0 secs Computing kpt #: 39 total cpu time spent up to now is 85.1 secs Computing kpt #: 40 total cpu time spent up to now is 86.0 secs Computing kpt #: 41 total cpu time spent up to now is 86.9 secs Computing kpt #: 42 total cpu time spent up to now is 87.7 secs Computing kpt #: 43 total cpu time spent up to now is 88.6 secs Computing kpt #: 44 total cpu time spent up to now is 89.4 secs Computing kpt #: 45 total cpu time spent up to now is 90.3 secs Computing kpt #: 46 total cpu time spent up to now is 91.2 secs Computing kpt #: 47 total cpu time spent up to now is 92.0 secs Computing kpt #: 48 total cpu time spent up to now is 92.9 secs Computing kpt #: 49 total cpu time spent up to now is 93.8 secs Computing kpt #: 50 total cpu time spent up to now is 94.8 secs Computing kpt #: 51 total cpu time spent up to now is 95.8 secs Computing kpt #: 52 total cpu time spent up to now is 96.7 secs Computing kpt #: 53 total cpu time spent up to now is 97.6 secs Computing kpt #: 54 total cpu time spent up to now is 98.5 secs Computing kpt #: 55 total cpu time spent up to now is 99.4 secs Computing kpt #: 56 total cpu time spent up to now is 100.3 secs Computing kpt #: 57 total cpu time spent up to now is 101.2 secs Computing kpt #: 58 total cpu time spent up to now is 102.1 secs Computing kpt #: 59 total cpu time spent up to now is 102.9 secs Computing kpt #: 60 total cpu time spent up to now is 103.7 secs Computing kpt #: 61 total cpu time spent up to now is 104.5 secs Computing kpt #: 62 total cpu time spent up to now is 105.3 secs Computing kpt #: 63 total cpu time spent up to now is 106.1 secs Computing kpt #: 64 total cpu time spent up to now is 106.9 secs Computing kpt #: 65 total cpu time spent up to now is 107.8 secs Computing kpt #: 66 total cpu time spent up to now is 108.6 secs Computing kpt #: 67 total cpu time spent up to now is 109.4 secs Computing kpt #: 68 total cpu time spent up to now is 110.2 secs Computing kpt #: 69 total cpu time spent up to now is 111.1 secs Computing kpt #: 70 total cpu time spent up to now is 111.9 secs Computing kpt #: 71 total cpu time spent up to now is 112.7 secs Computing kpt #: 72 total cpu time spent up to now is 113.6 secs Computing kpt #: 73 total cpu time spent up to now is 114.4 secs Computing kpt #: 74 total cpu time spent up to now is 115.2 secs Computing kpt #: 75 total cpu time spent up to now is 116.0 secs Computing kpt #: 76 total cpu time spent up to now is 116.8 secs Computing kpt #: 77 total cpu time spent up to now is 117.6 secs Computing kpt #: 78 total cpu time spent up to now is 118.4 secs Computing kpt #: 79 total cpu time spent up to now is 119.2 secs Computing kpt #: 80 total cpu time spent up to now is 120.1 secs Computing kpt #: 81 total cpu time spent up to now is 120.9 secs Computing kpt #: 82 total cpu time spent up to now is 121.7 secs Computing kpt #: 83 total cpu time spent up to now is 122.5 secs Computing kpt #: 84 total cpu time spent up to now is 123.3 secs Computing kpt #: 85 total cpu time spent up to now is 124.1 secs Computing kpt #: 86 total cpu time spent up to now is 124.9 secs Computing kpt #: 87 total cpu time spent up to now is 125.7 secs Computing kpt #: 88 total cpu time spent up to now is 126.5 secs Computing kpt #: 89 total cpu time spent up to now is 127.3 secs Computing kpt #: 90 total cpu time spent up to now is 128.1 secs Computing kpt #: 91 total cpu time spent up to now is 128.9 secs Computing kpt #: 92 total cpu time spent up to now is 129.7 secs Computing kpt #: 93 total cpu time spent up to now is 130.7 secs Computing kpt #: 94 total cpu time spent up to now is 131.6 secs Computing kpt #: 95 total cpu time spent up to now is 132.4 secs Computing kpt #: 96 total cpu time spent up to now is 133.2 secs Computing kpt #: 97 total cpu time spent up to now is 134.0 secs Computing kpt #: 98 total cpu time spent up to now is 134.8 secs Computing kpt #: 99 total cpu time spent up to now is 135.6 secs Computing kpt #: 100 total cpu time spent up to now is 136.5 secs Computing kpt #: 101 total cpu time spent up to now is 137.5 secs Computing kpt #: 102 total cpu time spent up to now is 138.3 secs Computing kpt #: 103 total cpu time spent up to now is 139.1 secs Computing kpt #: 104 total cpu time spent up to now is 139.8 secs Computing kpt #: 105 total cpu time spent up to now is 140.8 secs Computing kpt #: 106 total cpu time spent up to now is 141.7 secs Computing kpt #: 107 total cpu time spent up to now is 142.5 secs Computing kpt #: 108 total cpu time spent up to now is 143.6 secs Computing kpt #: 109 total cpu time spent up to now is 144.6 secs Computing kpt #: 110 total cpu time spent up to now is 145.6 secs Computing kpt #: 111 total cpu time spent up to now is 146.6 secs Computing kpt #: 112 total cpu time spent up to now is 147.4 secs Computing kpt #: 113 total cpu time spent up to now is 148.4 secs Computing kpt #: 114 total cpu time spent up to now is 149.5 secs Computing kpt #: 115 total cpu time spent up to now is 150.6 secs Computing kpt #: 116 total cpu time spent up to now is 151.6 secs Computing kpt #: 117 total cpu time spent up to now is 152.6 secs Computing kpt #: 118 total cpu time spent up to now is 153.7 secs Computing kpt #: 119 total cpu time spent up to now is 154.7 secs Computing kpt #: 120 total cpu time spent up to now is 155.8 secs Computing kpt #: 121 total cpu time spent up to now is 156.9 secs Computing kpt #: 122 total cpu time spent up to now is 158.0 secs Computing kpt #: 123 total cpu time spent up to now is 159.1 secs Computing kpt #: 124 total cpu time spent up to now is 160.2 secs Computing kpt #: 125 total cpu time spent up to now is 161.4 secs Computing kpt #: 126 total cpu time spent up to now is 162.6 secs Computing kpt #: 127 total cpu time spent up to now is 163.8 secs Computing kpt #: 128 total cpu time spent up to now is 164.9 secs Computing kpt #: 129 total cpu time spent up to now is 166.1 secs Computing kpt #: 130 total cpu time spent up to now is 167.3 secs Computing kpt #: 131 total cpu time spent up to now is 168.6 secs Computing kpt #: 132 total cpu time spent up to now is 169.8 secs Computing kpt #: 133 total cpu time spent up to now is 171.0 secs Computing kpt #: 134 total cpu time spent up to now is 172.2 secs Computing kpt #: 135 total cpu time spent up to now is 173.4 secs Computing kpt #: 136 total cpu time spent up to now is 174.7 secs Computing kpt #: 137 total cpu time spent up to now is 175.9 secs Computing kpt #: 138 total cpu time spent up to now is 177.1 secs Computing kpt #: 139 total cpu time spent up to now is 178.3 secs Computing kpt #: 140 total cpu time spent up to now is 179.5 secs Computing kpt #: 141 total cpu time spent up to now is 180.6 secs Computing kpt #: 142 total cpu time spent up to now is 181.8 secs Computing kpt #: 143 total cpu time spent up to now is 182.9 secs Computing kpt #: 144 total cpu time spent up to now is 184.1 secs Computing kpt #: 145 total cpu time spent up to now is 185.4 secs Computing kpt #: 146 total cpu time spent up to now is 186.6 secs Computing kpt #: 147 total cpu time spent up to now is 187.8 secs Computing kpt #: 148 total cpu time spent up to now is 189.0 secs Computing kpt #: 149 total cpu time spent up to now is 190.1 secs Computing kpt #: 150 total cpu time spent up to now is 191.4 secs Computing kpt #: 151 total cpu time spent up to now is 192.6 secs Computing kpt #: 152 total cpu time spent up to now is 193.8 secs Computing kpt #: 153 total cpu time spent up to now is 195.0 secs Computing kpt #: 154 total cpu time spent up to now is 196.4 secs Computing kpt #: 155 total cpu time spent up to now is 197.7 secs Computing kpt #: 156 total cpu time spent up to now is 198.8 secs Computing kpt #: 157 total cpu time spent up to now is 199.9 secs Computing kpt #: 158 total cpu time spent up to now is 201.0 secs Computing kpt #: 159 total cpu time spent up to now is 202.1 secs Computing kpt #: 160 total cpu time spent up to now is 203.2 secs Computing kpt #: 161 total cpu time spent up to now is 204.1 secs Computing kpt #: 162 total cpu time spent up to now is 204.9 secs Computing kpt #: 163 total cpu time spent up to now is 205.7 secs Computing kpt #: 164 total cpu time spent up to now is 206.5 secs Computing kpt #: 165 total cpu time spent up to now is 207.4 secs Computing kpt #: 166 total cpu time spent up to now is 208.2 secs Computing kpt #: 167 total cpu time spent up to now is 209.0 secs Computing kpt #: 168 total cpu time spent up to now is 209.8 secs Computing kpt #: 169 total cpu time spent up to now is 210.6 secs Computing kpt #: 170 total cpu time spent up to now is 211.3 secs Computing kpt #: 171 total cpu time spent up to now is 212.1 secs Computing kpt #: 172 total cpu time spent up to now is 212.9 secs Computing kpt #: 173 total cpu time spent up to now is 213.6 secs Computing kpt #: 174 total cpu time spent up to now is 214.5 secs Computing kpt #: 175 total cpu time spent up to now is 215.3 secs Computing kpt #: 176 total cpu time spent up to now is 216.1 secs Computing kpt #: 177 total cpu time spent up to now is 216.9 secs Computing kpt #: 178 total cpu time spent up to now is 217.7 secs Computing kpt #: 179 total cpu time spent up to now is 218.5 secs Computing kpt #: 180 total cpu time spent up to now is 219.3 secs Computing kpt #: 181 total cpu time spent up to now is 220.2 secs Computing kpt #: 182 total cpu time spent up to now is 221.0 secs Computing kpt #: 183 total cpu time spent up to now is 221.8 secs Computing kpt #: 184 total cpu time spent up to now is 222.6 secs Computing kpt #: 185 total cpu time spent up to now is 223.4 secs Computing kpt #: 186 total cpu time spent up to now is 224.2 secs Computing kpt #: 187 total cpu time spent up to now is 225.0 secs Computing kpt #: 188 total cpu time spent up to now is 225.8 secs Computing kpt #: 189 total cpu time spent up to now is 226.7 secs Computing kpt #: 190 total cpu time spent up to now is 227.5 secs Computing kpt #: 191 total cpu time spent up to now is 228.3 secs Computing kpt #: 192 total cpu time spent up to now is 229.1 secs Computing kpt #: 193 total cpu time spent up to now is 229.9 secs Computing kpt #: 194 total cpu time spent up to now is 230.7 secs Computing kpt #: 195 total cpu time spent up to now is 231.5 secs Computing kpt #: 196 total cpu time spent up to now is 232.4 secs Computing kpt #: 197 total cpu time spent up to now is 233.2 secs Computing kpt #: 198 total cpu time spent up to now is 234.0 secs Computing kpt #: 199 total cpu time spent up to now is 234.8 secs Computing kpt #: 200 total cpu time spent up to now is 235.6 secs Computing kpt #: 201 total cpu time spent up to now is 236.4 secs Computing kpt #: 202 total cpu time spent up to now is 237.3 secs Computing kpt #: 203 total cpu time spent up to now is 238.1 secs Computing kpt #: 204 total cpu time spent up to now is 239.0 secs Computing kpt #: 205 total cpu time spent up to now is 239.9 secs Computing kpt #: 206 total cpu time spent up to now is 240.7 secs Computing kpt #: 207 total cpu time spent up to now is 241.5 secs Computing kpt #: 208 total cpu time spent up to now is 242.3 secs Computing kpt #: 209 total cpu time spent up to now is 243.2 secs Computing kpt #: 210 total cpu time spent up to now is 244.0 secs Computing kpt #: 211 total cpu time spent up to now is 244.9 secs Computing kpt #: 212 total cpu time spent up to now is 245.8 secs Computing kpt #: 213 total cpu time spent up to now is 246.6 secs Computing kpt #: 214 total cpu time spent up to now is 247.5 secs Computing kpt #: 215 total cpu time spent up to now is 248.3 secs Computing kpt #: 216 total cpu time spent up to now is 249.0 secs Computing kpt #: 217 total cpu time spent up to now is 249.8 secs Computing kpt #: 218 total cpu time spent up to now is 250.6 secs Computing kpt #: 219 total cpu time spent up to now is 251.5 secs Computing kpt #: 220 total cpu time spent up to now is 252.3 secs Computing kpt #: 221 total cpu time spent up to now is 253.1 secs Computing kpt #: 222 total cpu time spent up to now is 253.9 secs Computing kpt #: 223 total cpu time spent up to now is 254.7 secs Computing kpt #: 224 total cpu time spent up to now is 255.6 secs Computing kpt #: 225 total cpu time spent up to now is 256.5 secs Computing kpt #: 226 total cpu time spent up to now is 257.4 secs Computing kpt #: 227 total cpu time spent up to now is 258.4 secs Computing kpt #: 228 total cpu time spent up to now is 259.3 secs Computing kpt #: 229 total cpu time spent up to now is 260.1 secs Computing kpt #: 230 total cpu time spent up to now is 261.0 secs Computing kpt #: 231 total cpu time spent up to now is 261.9 secs Computing kpt #: 232 total cpu time spent up to now is 263.0 secs Computing kpt #: 233 total cpu time spent up to now is 264.1 secs Computing kpt #: 234 total cpu time spent up to now is 265.0 secs Computing kpt #: 235 total cpu time spent up to now is 265.9 secs Computing kpt #: 236 total cpu time spent up to now is 266.6 secs Computing kpt #: 237 total cpu time spent up to now is 267.5 secs Computing kpt #: 238 total cpu time spent up to now is 268.4 secs Computing kpt #: 239 total cpu time spent up to now is 269.3 secs Computing kpt #: 240 total cpu time spent up to now is 270.1 secs Computing kpt #: 241 total cpu time spent up to now is 271.0 secs Computing kpt #: 242 total cpu time spent up to now is 271.8 secs Computing kpt #: 243 total cpu time spent up to now is 272.8 secs Computing kpt #: 244 total cpu time spent up to now is 273.8 secs Computing kpt #: 245 total cpu time spent up to now is 274.6 secs Computing kpt #: 246 total cpu time spent up to now is 275.4 secs Computing kpt #: 247 total cpu time spent up to now is 276.2 secs Computing kpt #: 248 total cpu time spent up to now is 277.0 secs Computing kpt #: 249 total cpu time spent up to now is 277.8 secs Computing kpt #: 250 total cpu time spent up to now is 278.6 secs Computing kpt #: 251 total cpu time spent up to now is 279.4 secs Computing kpt #: 252 total cpu time spent up to now is 280.2 secs Computing kpt #: 253 total cpu time spent up to now is 281.0 secs Computing kpt #: 254 total cpu time spent up to now is 281.8 secs Computing kpt #: 255 total cpu time spent up to now is 282.6 secs Computing kpt #: 256 total cpu time spent up to now is 283.4 secs Computing kpt #: 257 total cpu time spent up to now is 284.2 secs Computing kpt #: 258 total cpu time spent up to now is 285.0 secs Computing kpt #: 259 total cpu time spent up to now is 285.8 secs Computing kpt #: 260 total cpu time spent up to now is 286.7 secs Computing kpt #: 261 total cpu time spent up to now is 287.6 secs Computing kpt #: 262 total cpu time spent up to now is 288.5 secs Computing kpt #: 263 total cpu time spent up to now is 289.3 secs Computing kpt #: 264 total cpu time spent up to now is 290.1 secs Computing kpt #: 265 total cpu time spent up to now is 290.9 secs Computing kpt #: 266 total cpu time spent up to now is 291.7 secs Computing kpt #: 267 total cpu time spent up to now is 292.6 secs Computing kpt #: 268 total cpu time spent up to now is 293.4 secs Computing kpt #: 269 total cpu time spent up to now is 294.3 secs Computing kpt #: 270 total cpu time spent up to now is 295.2 secs Computing kpt #: 271 total cpu time spent up to now is 296.0 secs Computing kpt #: 272 total cpu time spent up to now is 296.8 secs Computing kpt #: 273 total cpu time spent up to now is 297.6 secs Computing kpt #: 274 total cpu time spent up to now is 298.5 secs Computing kpt #: 275 total cpu time spent up to now is 299.3 secs Computing kpt #: 276 total cpu time spent up to now is 300.1 secs Computing kpt #: 277 total cpu time spent up to now is 300.9 secs Computing kpt #: 278 total cpu time spent up to now is 301.7 secs Computing kpt #: 279 total cpu time spent up to now is 302.5 secs Computing kpt #: 280 total cpu time spent up to now is 303.4 secs Computing kpt #: 281 total cpu time spent up to now is 304.2 secs Computing kpt #: 282 total cpu time spent up to now is 305.0 secs Computing kpt #: 283 total cpu time spent up to now is 305.8 secs Computing kpt #: 284 total cpu time spent up to now is 306.7 secs Computing kpt #: 285 total cpu time spent up to now is 307.5 secs Computing kpt #: 286 total cpu time spent up to now is 308.3 secs Computing kpt #: 287 total cpu time spent up to now is 309.1 secs Computing kpt #: 288 total cpu time spent up to now is 309.9 secs Computing kpt #: 289 total cpu time spent up to now is 310.7 secs Computing kpt #: 290 total cpu time spent up to now is 311.5 secs Computing kpt #: 291 total cpu time spent up to now is 312.4 secs Computing kpt #: 292 total cpu time spent up to now is 313.1 secs Computing kpt #: 293 total cpu time spent up to now is 313.9 secs Computing kpt #: 294 total cpu time spent up to now is 314.7 secs Computing kpt #: 295 total cpu time spent up to now is 315.5 secs Computing kpt #: 296 total cpu time spent up to now is 316.3 secs Computing kpt #: 297 total cpu time spent up to now is 317.2 secs Computing kpt #: 298 total cpu time spent up to now is 318.1 secs Computing kpt #: 299 total cpu time spent up to now is 318.9 secs Computing kpt #: 300 total cpu time spent up to now is 319.7 secs Computing kpt #: 301 total cpu time spent up to now is 320.5 secs Computing kpt #: 302 total cpu time spent up to now is 321.3 secs Computing kpt #: 303 total cpu time spent up to now is 322.2 secs Computing kpt #: 304 total cpu time spent up to now is 323.0 secs Computing kpt #: 305 total cpu time spent up to now is 323.8 secs Computing kpt #: 306 total cpu time spent up to now is 324.6 secs Computing kpt #: 307 total cpu time spent up to now is 325.4 secs Computing kpt #: 308 total cpu time spent up to now is 326.2 secs Computing kpt #: 309 total cpu time spent up to now is 327.0 secs Computing kpt #: 310 total cpu time spent up to now is 327.8 secs Computing kpt #: 311 total cpu time spent up to now is 328.7 secs Computing kpt #: 312 total cpu time spent up to now is 329.6 secs Computing kpt #: 313 total cpu time spent up to now is 330.4 secs Computing kpt #: 314 total cpu time spent up to now is 331.2 secs Computing kpt #: 315 total cpu time spent up to now is 332.0 secs Computing kpt #: 316 total cpu time spent up to now is 332.8 secs Computing kpt #: 317 total cpu time spent up to now is 333.6 secs Computing kpt #: 318 total cpu time spent up to now is 334.5 secs Computing kpt #: 319 total cpu time spent up to now is 335.3 secs Computing kpt #: 320 total cpu time spent up to now is 336.2 secs Computing kpt #: 321 total cpu time spent up to now is 336.9 secs Computing kpt #: 322 total cpu time spent up to now is 337.7 secs Computing kpt #: 323 total cpu time spent up to now is 338.5 secs Computing kpt #: 324 total cpu time spent up to now is 339.4 secs Computing kpt #: 325 total cpu time spent up to now is 340.2 secs Computing kpt #: 326 total cpu time spent up to now is 341.0 secs Computing kpt #: 327 total cpu time spent up to now is 341.8 secs Computing kpt #: 328 total cpu time spent up to now is 342.6 secs Computing kpt #: 329 total cpu time spent up to now is 343.4 secs Computing kpt #: 330 total cpu time spent up to now is 344.3 secs Computing kpt #: 331 total cpu time spent up to now is 345.1 secs Computing kpt #: 332 total cpu time spent up to now is 345.9 secs Computing kpt #: 333 total cpu time spent up to now is 346.8 secs Computing kpt #: 334 total cpu time spent up to now is 347.7 secs Computing kpt #: 335 total cpu time spent up to now is 348.5 secs Computing kpt #: 336 total cpu time spent up to now is 349.4 secs Computing kpt #: 337 total cpu time spent up to now is 350.2 secs Computing kpt #: 338 total cpu time spent up to now is 351.0 secs Computing kpt #: 339 total cpu time spent up to now is 351.9 secs Computing kpt #: 340 total cpu time spent up to now is 352.7 secs Computing kpt #: 341 total cpu time spent up to now is 353.6 secs Computing kpt #: 342 total cpu time spent up to now is 354.4 secs Computing kpt #: 343 total cpu time spent up to now is 355.2 secs Computing kpt #: 344 total cpu time spent up to now is 356.0 secs Computing kpt #: 345 total cpu time spent up to now is 356.8 secs Computing kpt #: 346 total cpu time spent up to now is 357.6 secs Computing kpt #: 347 total cpu time spent up to now is 358.5 secs Computing kpt #: 348 total cpu time spent up to now is 359.3 secs Computing kpt #: 349 total cpu time spent up to now is 360.2 secs Computing kpt #: 350 total cpu time spent up to now is 361.0 secs Computing kpt #: 351 total cpu time spent up to now is 361.8 secs Computing kpt #: 352 total cpu time spent up to now is 362.6 secs Computing kpt #: 353 total cpu time spent up to now is 363.5 secs ethr = 3.13E-11, avg # of iterations = 22.6 total cpu time spent up to now is 363.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2909 PWs) bands (ev): -14.7956 -14.7956 -13.2051 -13.2051 -13.1999 -13.1999 -12.7580 -12.7580 -5.5295 -5.5295 -1.3748 -1.3748 -1.3080 -1.3080 -1.0340 -1.0340 -0.0302 -0.0302 0.7600 0.7600 1.1783 1.1783 1.1804 1.1804 1.8475 1.8475 2.6895 2.6895 2.7105 2.7105 3.1921 3.1921 3.3887 3.3887 6.9014 6.9014 8.7296 8.7296 9.3776 9.3776 k = 0.0000 0.0000 0.0151 ( 2913 PWs) bands (ev): -14.7950 -14.7950 -13.2054 -13.2052 -13.2002 -13.2002 -12.7584 -12.7582 -5.5303 -5.5302 -1.3806 -1.3710 -1.3093 -1.3091 -1.0359 -1.0262 -0.0301 -0.0295 0.7580 0.7589 1.1788 1.1798 1.1825 1.1829 1.8481 1.8484 2.6859 2.6866 2.7075 2.7081 3.1913 3.1921 3.3933 3.3941 6.8991 6.9035 8.7291 8.7296 9.3750 9.3815 k = 0.0000 0.0000 0.0301 ( 2913 PWs) bands (ev): -14.7932 -14.7932 -13.2061 -13.2058 -13.2008 -13.2008 -12.7596 -12.7593 -5.5326 -5.5326 -1.3879 -1.3692 -1.3127 -1.3121 -1.0317 -1.0130 -0.0291 -0.0280 0.7533 0.7550 1.1800 1.1817 1.1904 1.1916 1.8502 1.8509 2.6730 2.6751 2.7027 2.7033 3.1899 3.1913 3.4077 3.4093 6.8967 6.9055 8.7281 8.7290 9.3737 9.3864 k = 0.0000 0.0000 0.0452 ( 2901 PWs) bands (ev): -14.7901 -14.7901 -13.2073 -13.2069 -13.2018 -13.2018 -12.7616 -12.7611 -5.5366 -5.5365 -1.3962 -1.3694 -1.3180 -1.3169 -1.0217 -0.9953 -0.0273 -0.0258 0.7463 0.7487 1.1819 1.1843 1.2036 1.2055 1.8540 1.8549 2.6491 2.6526 2.6990 2.6996 3.1878 3.1898 3.4305 3.4328 6.8941 6.9074 8.7264 8.7277 9.3739 9.3923 k = 0.0000 0.0000 0.0602 ( 2905 PWs) bands (ev): -14.7859 -14.7859 -13.2091 -13.2084 -13.2032 -13.2030 -12.7643 -12.7636 -5.5421 -5.5420 -1.4051 -1.3716 -1.3245 -1.3230 -1.0068 -0.9740 -0.0248 -0.0227 0.7375 0.7406 1.1847 1.1879 1.2214 1.2240 1.8592 1.8605 2.6167 2.6213 2.6958 2.6966 3.1850 3.1875 3.4600 3.4629 6.8912 6.9090 8.7238 8.7258 9.3755 9.3986 k = 0.0000 0.0000 0.0753 ( 2905 PWs) bands (ev): -14.7804 -14.7804 -13.2115 -13.2106 -13.2048 -13.2045 -12.7677 -12.7669 -5.5491 -5.5490 -1.4138 -1.3756 -1.3317 -1.3301 -0.9879 -0.9499 -0.0215 -0.0188 0.7276 0.7312 1.1886 1.1925 1.2430 1.2461 1.8659 1.8675 2.5782 2.5837 2.6925 2.6934 3.1814 3.1844 3.4947 3.4980 6.8879 6.9103 8.7200 8.7232 9.3784 9.4050 k = 0.0000 0.0000 0.0903 ( 2909 PWs) bands (ev): -14.7738 -14.7738 -13.2144 -13.2134 -13.2066 -13.2062 -12.7719 -12.7709 -5.5576 -5.5575 -1.4222 -1.3814 -1.3390 -1.3374 -0.9660 -0.9239 -0.0175 -0.0142 0.7172 0.7213 1.1937 1.1983 1.2677 1.2713 1.8740 1.8759 2.5353 2.5416 2.6888 2.6900 3.1771 3.1804 3.5329 3.5366 6.8842 6.9113 8.7147 8.7197 9.3823 9.4111 k = 0.0000 0.0000 0.1054 ( 2909 PWs) bands (ev): -14.7660 -14.7660 -13.2180 -13.2168 -13.2085 -13.2081 -12.7769 -12.7757 -5.5676 -5.5674 -1.4300 -1.3891 -1.3471 -1.3430 -0.9419 -0.8966 -0.0127 -0.0089 0.7068 0.7113 1.2001 1.2054 1.2947 1.2987 1.8835 1.8857 2.4895 2.4964 2.6848 2.6862 3.1720 3.1758 3.5736 3.5776 6.8798 6.9117 8.7077 8.7152 9.3869 9.4162 k = 0.0000 0.0000 0.1204 ( 2915 PWs) bands (ev): -14.7570 -14.7570 -13.2221 -13.2208 -13.2107 -13.2101 -12.7826 -12.7813 -5.5791 -5.5788 -1.4374 -1.3988 -1.3553 -1.3463 -0.9163 -0.8685 -0.0074 -0.0030 0.6970 0.7017 1.2079 1.2138 1.3235 1.3278 1.8943 1.8968 2.4418 2.4493 2.6805 2.6821 3.1662 3.1703 3.6158 3.6200 6.8746 6.9114 8.6988 8.7097 9.3915 9.4199 k = 0.0000 0.0000 0.1355 ( 2919 PWs) bands (ev): -14.7468 -14.7468 -13.2268 -13.2253 -13.2130 -13.2124 -12.7890 -12.7876 -5.5919 -5.5916 -1.4448 -1.4104 -1.3627 -1.3470 -0.8899 -0.8402 -0.0014 0.0035 0.6880 0.6929 1.2172 1.2238 1.3534 1.3579 1.9061 1.9089 2.3931 2.4013 2.6758 2.6777 3.1597 3.1642 3.6588 3.6632 6.8685 6.9103 8.6879 8.7029 9.3957 9.4220 k = 0.0000 0.0000 0.1505 ( 2909 PWs) bands (ev): -14.7355 -14.7355 -13.2320 -13.2304 -13.2155 -13.2148 -12.7963 -12.7947 -5.6060 -5.6056 -1.4531 -1.4238 -1.3680 -1.3450 -0.8633 -0.8119 0.0051 0.0106 0.6801 0.6852 1.2281 1.2353 1.3839 1.3886 1.9190 1.9220 2.3443 2.3531 2.6710 2.6731 3.1526 3.1573 3.7020 3.7065 6.8613 6.9082 8.6750 8.6949 9.3989 9.4224 k = 0.0000 0.0000 0.1656 ( 2909 PWs) bands (ev): -14.7230 -14.7230 -13.2377 -13.2360 -13.2182 -13.2174 -12.8042 -12.8025 -5.6213 -5.6210 -1.4630 -1.4387 -1.3701 -1.3401 -0.8368 -0.7842 0.0121 0.0182 0.6737 0.6789 1.2407 1.2484 1.4144 1.4193 1.9327 1.9359 2.2962 2.3056 2.6660 2.6684 3.1447 3.1498 3.7450 3.7495 6.8529 6.9048 8.6602 8.6856 9.4007 9.4211 k = 0.0000 0.0000 0.1806 ( 2913 PWs) bands (ev): -14.7095 -14.7095 -13.2438 -13.2420 -13.2211 -13.2202 -12.8130 -12.8111 -5.6378 -5.6374 -1.4752 -1.4548 -1.3683 -1.3323 -0.8109 -0.7573 0.0196 0.0261 0.6690 0.6742 1.2549 1.2632 1.4442 1.4493 1.9469 1.9502 2.2498 2.2597 2.6611 2.6637 3.1362 3.1417 3.7874 3.7919 6.8430 6.9002 8.6435 8.6750 9.4010 9.4183 k = 0.0000 0.0000 0.1957 ( 2909 PWs) bands (ev): -14.6948 -14.6948 -13.2504 -13.2485 -13.2241 -13.2232 -12.8225 -12.8205 -5.6555 -5.6550 -1.4896 -1.4721 -1.3623 -1.3215 -0.7860 -0.7315 0.0275 0.0344 0.6660 0.6712 1.2708 1.2795 1.4725 1.4778 1.9612 1.9644 2.2062 2.2166 2.6564 2.6593 3.1272 3.1330 3.8288 3.8333 6.8316 6.8941 8.6251 8.6632 9.3997 9.4142 k = 0.0000 0.0000 0.2108 ( 2914 PWs) bands (ev): -14.6791 -14.6790 -13.2574 -13.2554 -13.2273 -13.2263 -12.8327 -12.8306 -5.6741 -5.6736 -1.5061 -1.4904 -1.3522 -1.3079 -0.7622 -0.7072 0.0358 0.0431 0.6650 0.6701 1.2883 1.2974 1.4986 1.5040 1.9750 1.9778 2.1669 2.1777 2.6521 2.6552 3.1176 3.1237 3.8690 3.8735 6.8185 6.8863 8.6053 8.6501 9.3968 9.4088 k = 0.0000 0.0000 0.2258 ( 2910 PWs) bands (ev): -14.6622 -14.6622 -13.2647 -13.2626 -13.2307 -13.2295 -12.8437 -12.8415 -5.6936 -5.6931 -1.5241 -1.5096 -1.3384 -1.2914 -0.7399 -0.6844 0.0444 0.0520 0.6660 0.6711 1.3071 1.3166 1.5213 1.5268 1.9875 1.9892 2.1343 2.1447 2.6483 2.6516 3.1075 3.1139 3.9079 3.9122 6.8038 6.8769 8.5841 8.6358 9.3925 9.4024 k = 0.0000 0.0000 0.2409 ( 2908 PWs) bands (ev): -14.6444 -14.6444 -13.2724 -13.2703 -13.2342 -13.2329 -12.8555 -12.8531 -5.7140 -5.7134 -1.5433 -1.5296 -1.3212 -1.2722 -0.7191 -0.6635 0.0534 0.0612 0.6691 0.6741 1.3272 1.3370 1.5394 1.5448 1.9967 1.9975 2.1113 2.1202 2.6452 2.6488 3.0970 3.1038 3.9450 3.9492 6.7874 6.8658 8.5616 8.6204 9.3869 9.3950 k = 0.0000 0.0000 0.2559 ( 2912 PWs) bands (ev): -14.6255 -14.6255 -13.2805 -13.2782 -13.2378 -13.2364 -12.8679 -12.8655 -5.7350 -5.7344 -1.5633 -1.5502 -1.3008 -1.2502 -0.7002 -0.6444 0.0628 0.0707 0.6742 0.6792 1.3483 1.3583 1.5514 1.5567 1.9991 2.0036 2.1006 2.1066 2.6431 2.6470 3.0862 3.0932 3.9803 3.9843 6.7694 6.8529 8.5381 8.6039 9.3801 9.3866 k = 0.0000 0.0000 0.2710 ( 2912 PWs) bands (ev): -14.6057 -14.6057 -13.2888 -13.2865 -13.2414 -13.2400 -12.8811 -12.8786 -5.7567 -5.7560 -1.5840 -1.5713 -1.2775 -1.2256 -0.6830 -0.6273 0.0727 0.0806 0.6812 0.6862 1.3701 1.3802 1.5563 1.5612 1.9984 2.0070 2.1009 2.1041 2.6423 2.6465 3.0751 3.0825 4.0136 4.0173 6.7498 6.8384 8.5137 8.5863 9.3722 9.3773 k = 0.0000 0.0000 0.2860 ( 2918 PWs) bands (ev): -14.5849 -14.5849 -13.2975 -13.2951 -13.2452 -13.2437 -12.8950 -12.8924 -5.7788 -5.7781 -1.6052 -1.5928 -1.2516 -1.1987 -0.6677 -0.6121 0.0831 0.0909 0.6901 0.6951 1.3923 1.4024 1.5537 1.5577 1.9996 2.0109 2.1076 2.1101 2.6428 2.6473 3.0639 3.0715 4.0446 4.0481 6.7290 6.8224 8.4882 8.5675 9.3632 9.3673 k = 0.0000 0.0000 0.3011 ( 2918 PWs) bands (ev): -14.5632 -14.5632 -13.3064 -13.3040 -13.2491 -13.2475 -12.9095 -12.9068 -5.8013 -5.8006 -1.6266 -1.6145 -1.2233 -1.1696 -0.6541 -0.5988 0.0941 0.1016 0.7006 0.7056 1.4143 1.4242 1.5440 1.5470 2.0058 2.0186 2.1174 2.1208 2.6450 2.6498 3.0527 3.0605 4.0732 4.0763 6.7070 6.8052 8.4619 8.5475 9.3532 9.3564 k = 0.0000 0.0000 0.3161 ( 2930 PWs) bands (ev): -14.5406 -14.5406 -13.3156 -13.3132 -13.2530 -13.2513 -12.9247 -12.9220 -5.8241 -5.8234 -1.6482 -1.6364 -1.1931 -1.1386 -0.6422 -0.5873 0.1056 0.1129 0.7124 0.7176 1.4351 1.4446 1.5286 1.5316 2.0176 2.0309 2.1290 2.1331 2.6491 2.6541 3.0416 3.0496 4.0992 4.1019 6.6844 6.7870 8.4345 8.5262 9.3422 9.3449 k = 0.0000 0.0000 0.3312 ( 2926 PWs) bands (ev): -14.5172 -14.5171 -13.3250 -13.3225 -13.2569 -13.2551 -12.9405 -12.9377 -5.8470 -5.8462 -1.6697 -1.6582 -1.1611 -1.1062 -0.6316 -0.5772 0.1178 0.1247 0.7253 0.7306 1.4521 1.4609 1.5102 1.5173 2.0339 2.0474 2.1414 2.1460 2.6550 2.6603 3.0308 3.0389 4.1223 4.1247 6.6613 6.7682 8.4061 8.5034 9.3304 9.3329 k = 0.0000 0.0000 0.3462 ( 2926 PWs) bands (ev): -14.4930 -14.4929 -13.3347 -13.3322 -13.2608 -13.2589 -12.9569 -12.9540 -5.8699 -5.8691 -1.6911 -1.6799 -1.1279 -1.0726 -0.6220 -0.5684 0.1306 0.1371 0.7390 0.7444 1.4553 1.4638 1.5007 1.5140 2.0534 2.0667 2.1543 2.1592 2.6629 2.6685 3.0204 3.0287 4.1425 4.1445 6.6384 6.7492 8.3765 8.4789 9.3177 9.3202 k = 0.0000 0.0000 0.3613 ( 2926 PWs) bands (ev): -14.4680 -14.4679 -13.3446 -13.3421 -13.2648 -13.2628 -12.9738 -12.9708 -5.8927 -5.8919 -1.7123 -1.7014 -1.0940 -1.0385 -0.6129 -0.5603 0.1439 0.1501 0.7530 0.7587 1.4408 1.4460 1.5109 1.5245 2.0745 2.0874 2.1678 2.1728 2.6728 2.6786 3.0106 3.0189 4.1595 4.1610 6.6160 6.7304 8.3456 8.4527 9.3042 9.3070 k = 0.0000 0.0000 0.3764 ( 2922 PWs) bands (ev): -14.4422 -14.4421 -13.3547 -13.3523 -13.2687 -13.2666 -12.9912 -12.9881 -5.9154 -5.9145 -1.7331 -1.7225 -1.0598 -1.0045 -0.6039 -0.5525 0.1578 0.1635 0.7671 0.7731 1.4196 1.4222 1.5264 1.5393 2.0958 2.1080 2.1823 2.1870 2.6846 2.6906 3.0017 3.0099 4.1731 4.1742 6.5948 6.7124 8.3133 8.4246 9.2902 9.2933 k = 0.0000 0.0000 0.3914 ( 2926 PWs) bands (ev): -14.4158 -14.4157 -13.3652 -13.3627 -13.2726 -13.2704 -13.0089 -13.0058 -5.9377 -5.9368 -1.7535 -1.7433 -1.0260 -0.9714 -0.5941 -0.5444 0.1720 0.1773 0.7809 0.7872 1.3975 1.3983 1.5415 1.5537 2.1161 2.1273 2.1984 2.2025 2.6980 2.7042 2.9937 3.0019 4.1832 4.1840 6.5751 6.6957 8.2794 8.3944 9.2756 9.2792 k = 0.0000 0.0000 0.4065 ( 2922 PWs) bands (ev): -14.3888 -14.3887 -13.3759 -13.3734 -13.2764 -13.2741 -13.0270 -13.0238 -5.9595 -5.9587 -1.7734 -1.7635 -0.9933 -0.9400 -0.5829 -0.5354 0.1865 0.1915 0.7941 0.8009 1.3755 1.3767 1.5547 1.5664 2.1346 2.1446 2.2162 2.2193 2.7129 2.7193 2.9870 2.9949 4.1896 4.1902 6.5576 6.6808 8.2440 8.3622 9.2606 9.2646 k = 0.0000 0.0000 0.4215 ( 2926 PWs) bands (ev): -14.3612 -14.3611 -13.3869 -13.3845 -13.2802 -13.2778 -13.0452 -13.0420 -5.9809 -5.9801 -1.7926 -1.7831 -0.9625 -0.9112 -0.5692 -0.5248 0.2011 0.2057 0.8066 0.8139 1.3551 1.3576 1.5656 1.5768 2.1512 2.1597 2.2354 2.2376 2.7291 2.7356 2.9816 2.9892 4.1922 4.1930 6.5428 6.6681 8.2069 8.3277 9.2453 9.2498 k = 0.0000 0.0000 0.4366 ( 2922 PWs) bands (ev): -14.3331 -14.3330 -13.3983 -13.3959 -13.2838 -13.2813 -13.0636 -13.0603 -6.0017 -6.0009 -1.8112 -1.8021 -0.9344 -0.8861 -0.5524 -0.5119 0.2156 0.2199 0.8182 0.8262 1.3373 1.3410 1.5739 1.5846 2.1660 2.1731 2.2553 2.2568 2.7463 2.7529 2.9778 2.9850 4.1912 4.1921 6.5310 6.6580 8.1681 8.2910 9.2298 9.2347 k = 0.0000 0.0000 0.4516 ( 2938 PWs) bands (ev): -14.3046 -14.3045 -13.4100 -13.4077 -13.2874 -13.2848 -13.0819 -13.0786 -6.0217 -6.0209 -1.8290 -1.8203 -0.9096 -0.8653 -0.5320 -0.4961 0.2298 0.2339 0.8291 0.8376 1.3221 1.3270 1.5795 1.5896 2.1794 2.1855 2.2748 2.2764 2.7642 2.7709 2.9756 2.9822 4.1865 4.1876 6.5227 6.6510 8.1277 8.2520 9.2142 9.2195 k = 0.0000 0.0000 0.4667 ( 2942 PWs) bands (ev): -14.2757 -14.2756 -13.4222 -13.4200 -13.2909 -13.2882 -13.1001 -13.0968 -6.0410 -6.0402 -1.8460 -1.8378 -0.8887 -0.8489 -0.5078 -0.4773 0.2435 0.2475 0.8393 0.8485 1.3093 1.3153 1.5824 1.5918 2.1920 2.1972 2.2935 2.2955 2.7827 2.7895 2.9750 2.9810 4.1784 4.1797 6.5182 6.6473 8.0857 8.2110 9.1987 9.2044 k = 0.0000 0.0000 0.4817 ( 2946 PWs) bands (ev): -14.2466 -14.2464 -13.4350 -13.4328 -13.2942 -13.2914 -13.1179 -13.1146 -6.0594 -6.0586 -1.8621 -1.8543 -0.8717 -0.8369 -0.4803 -0.4553 0.2567 0.2605 0.8492 0.8591 1.2988 1.3058 1.5828 1.5915 2.2040 2.2085 2.3111 2.3137 2.8015 2.8084 2.9761 2.9814 4.1670 4.1685 6.5177 6.6470 8.0423 8.1681 9.1833 9.1893 k = 0.0000 0.0000 0.4968 ( 2946 PWs) bands (ev): -14.2172 -14.2170 -13.4483 -13.4463 -13.2974 -13.2945 -13.1353 -13.1320 -6.0768 -6.0761 -1.8773 -1.8700 -0.8585 -0.8286 -0.4503 -0.4306 0.2692 0.2728 0.8592 0.8697 1.2900 1.2980 1.5809 1.5889 2.2155 2.2195 2.3276 2.3306 2.8205 2.8273 2.9786 2.9832 4.1528 4.1544 6.5214 6.6503 7.9978 8.1234 9.1683 9.1744 k = 0.0000 0.0000 0.5118 ( 2946 PWs) bands (ev): -14.1878 -14.1876 -13.4623 -13.4603 -13.3005 -13.2975 -13.1520 -13.1487 -6.0932 -6.0925 -1.8915 -1.8847 -0.8488 -0.8235 -0.4188 -0.4039 0.2808 0.2844 0.8698 0.8809 1.2822 1.2911 1.5770 1.5843 2.2264 2.2301 2.3428 2.3461 2.8394 2.8462 2.9824 2.9863 4.1362 4.1377 6.5291 6.6571 7.9524 8.0771 9.1537 9.1599 k = 0.0000 0.0000 0.5269 ( 2946 PWs) bands (ev): -14.1584 -14.1582 -13.4769 -13.4751 -13.3033 -13.3003 -13.1679 -13.1645 -6.1085 -6.1079 -1.9047 -1.8984 -0.8421 -0.8207 -0.3867 -0.3759 0.2917 0.2951 0.8813 0.8930 1.2748 1.2846 1.5716 1.5781 2.2368 2.2401 2.3568 2.3602 2.8580 2.8648 2.9872 2.9905 4.1174 4.1189 6.5409 6.6671 7.9065 8.0297 9.1397 9.1458 k = 0.0000 0.0000 0.5419 ( 2950 PWs) bands (ev): -14.1292 -14.1290 -13.4922 -13.4906 -13.3060 -13.3030 -13.1827 -13.1794 -6.1227 -6.1221 -1.9169 -1.9111 -0.8376 -0.8197 -0.3551 -0.3477 0.3016 0.3049 0.8940 0.9063 1.2671 1.2778 1.5650 1.5707 2.2464 2.2495 2.3696 2.3732 2.8762 2.8829 2.9928 2.9955 4.0972 4.0986 6.5565 6.6801 7.8607 7.9814 9.1264 9.1324 k = 0.0000 0.0000 0.5570 ( 2946 PWs) bands (ev): -14.1003 -14.1001 -13.5082 -13.5067 -13.3085 -13.3054 -13.1964 -13.1932 -6.1357 -6.1352 -1.9279 -1.9227 -0.8349 -0.8199 -0.3247 -0.3199 0.3108 0.3139 0.9084 0.9211 1.2585 1.2700 1.5578 1.5627 2.2553 2.2581 2.3815 2.3850 2.8937 2.9003 2.9986 3.0011 4.0761 4.0774 6.5755 6.6955 7.8154 7.9327 9.1140 9.1197 k = 0.0000 0.0000 0.5721 ( 2950 PWs) bands (ev): -14.0721 -14.0719 -13.5248 -13.5235 -13.3108 -13.3078 -13.2088 -13.2057 -6.1474 -6.1470 -1.9378 -1.9331 -0.8335 -0.8210 -0.2963 -0.2935 0.3192 0.3221 0.9244 0.9376 1.2485 1.2608 1.5503 1.5544 2.2632 2.2657 2.3925 2.3957 2.9104 2.9168 3.0045 3.0069 4.0547 4.0558 6.5975 6.7126 7.7715 7.8842 9.1024 9.1078 k = 0.0000 0.0000 0.5871 ( 2944 PWs) bands (ev): -14.0447 -14.0445 -13.5417 -13.5406 -13.3128 -13.3099 -13.2198 -13.2168 -6.1579 -6.1575 -1.9466 -1.9425 -0.8329 -0.8225 -0.2704 -0.2690 0.3269 0.3295 0.9422 0.9558 1.2367 1.2496 1.5429 1.5463 2.2702 2.2725 2.4025 2.4054 2.9260 2.9322 3.0102 3.0126 4.0337 4.0347 6.6220 6.7307 7.7298 7.8363 9.0920 9.0969 k = 0.0000 0.0000 0.6022 ( 2942 PWs) bands (ev): -14.0185 -14.0183 -13.5587 -13.5578 -13.3146 -13.3119 -13.2293 -13.2266 -6.1670 -6.1667 -1.9542 -1.9507 -0.8329 -0.8244 -0.2476 -0.2469 0.3339 0.3362 0.9617 0.9756 1.2228 1.2363 1.5361 1.5387 2.2763 2.2783 2.4116 2.4141 2.9404 2.9463 3.0153 3.0180 4.0138 4.0147 6.6481 6.7487 7.6914 7.7900 9.0828 9.0872 k = 0.0000 0.0000 0.6172 ( 2936 PWs) bands (ev): -13.9940 -13.9939 -13.5754 -13.5747 -13.3160 -13.3136 -13.2373 -13.2349 -6.1748 -6.1745 -1.9607 -1.9577 -0.8332 -0.8263 -0.2282 -0.2276 0.3401 0.3421 0.9827 0.9969 1.2068 1.2208 1.5299 1.5320 2.2814 2.2831 2.4196 2.4216 2.9533 2.9588 3.0198 3.0226 3.9956 3.9964 6.6752 6.7653 7.6574 7.7459 9.0749 9.0787 k = 0.0000 0.0000 0.6323 ( 2924 PWs) bands (ev): -13.9719 -13.9718 -13.5912 -13.5906 -13.3172 -13.3152 -13.2438 -13.2417 -6.1812 -6.1809 -1.9659 -1.9635 -0.8335 -0.8282 -0.2122 -0.2115 0.3455 0.3472 1.0050 1.0194 1.1887 1.2031 1.5247 1.5262 2.2856 2.2870 2.4264 2.4280 2.9645 2.9695 3.0236 3.0264 3.9798 3.9804 6.7021 6.7793 7.6293 7.7052 9.0684 9.0715 k = 0.0000 0.0000 0.6473 ( 2928 PWs) bands (ev): -13.9529 -13.9528 -13.6052 -13.6047 -13.3181 -13.3165 -13.2487 -13.2470 -6.1862 -6.1860 -1.9699 -1.9681 -0.8338 -0.8299 -0.1997 -0.1990 0.3499 0.3512 1.0283 1.0429 1.1688 1.1834 1.5205 1.5216 2.2889 2.2900 2.4319 2.4331 2.9739 2.9781 3.0266 3.0291 3.9669 3.9673 6.7277 6.7892 7.6083 7.6688 9.0633 9.0657 k = 0.0000 0.0000 0.6624 ( 2932 PWs) bands (ev): -13.9382 -13.9381 -13.6164 -13.6161 -13.3187 -13.3175 -13.2521 -13.2509 -6.1897 -6.1896 -1.9727 -1.9715 -0.8339 -0.8313 -0.1906 -0.1901 0.3533 0.3542 1.0522 1.0670 1.1472 1.1620 1.5175 1.5182 2.2913 2.2921 2.4359 2.4367 2.9812 2.9843 3.0288 3.0308 3.9573 3.9576 6.7508 6.7938 7.5958 7.6381 9.0598 9.0614 k = 0.0000 0.0000 0.6774 ( 2926 PWs) bands (ev): -13.9287 -13.9287 -13.6237 -13.6235 -13.3189 -13.3183 -13.2540 -13.2534 -6.1919 -6.1918 -1.9742 -1.9736 -0.8337 -0.8324 -0.1851 -0.1848 0.3555 0.3559 1.0765 1.0914 1.1244 1.1393 1.5157 1.5161 2.2928 2.2932 2.4385 2.4389 2.9861 2.9877 3.0304 3.0315 3.9514 3.9515 6.7700 6.7922 7.5926 7.6144 9.0578 9.0586 k = 0.0000 0.0000 0.6925 ( 2926 PWs) bands (ev): -13.9254 -13.9254 -13.6262 -13.6262 -13.3188 -13.3188 -13.2544 -13.2544 -6.1926 -6.1926 -1.9745 -1.9745 -0.8332 -0.8332 -0.1832 -0.1832 0.3564 0.3564 1.1007 1.1007 1.1156 1.1156 1.5153 1.5153 2.2935 2.2935 2.4395 2.4395 2.9883 2.9883 3.0313 3.0313 3.9495 3.9495 6.7841 6.7841 7.5989 7.5989 9.0574 9.0574 k = 0.0000 0.0000 0.6925 ( 2926 PWs) bands (ev): -13.9254 -13.9254 -13.6262 -13.6262 -13.3188 -13.3188 -13.2544 -13.2544 -6.1926 -6.1926 -1.9745 -1.9745 -0.8332 -0.8332 -0.1832 -0.1832 0.3564 0.3564 1.1007 1.1007 1.1156 1.1156 1.5153 1.5153 2.2935 2.2935 2.4395 2.4395 2.9883 2.9883 3.0313 3.0313 3.9495 3.9495 6.7841 6.7841 7.5989 7.5989 9.0574 9.0574 k =-0.0109 0.0104 0.6925 ( 2926 PWs) bands (ev): -13.9252 -13.9251 -13.6261 -13.6260 -13.3190 -13.3188 -13.2547 -13.2546 -6.1930 -6.1930 -1.9754 -1.9729 -0.8321 -0.8317 -0.1840 -0.1835 0.3551 0.3569 1.0865 1.1024 1.1150 1.1291 1.5164 1.5166 2.2929 2.2932 2.4387 2.4390 2.9879 2.9881 3.0298 3.0305 3.9505 3.9508 6.7824 6.7864 7.5973 7.5997 9.0534 9.0587 k =-0.0218 0.0209 0.6925 ( 2928 PWs) bands (ev): -13.9244 -13.9243 -13.6258 -13.6255 -13.3195 -13.3192 -13.2556 -13.2553 -6.1943 -6.1943 -1.9755 -1.9706 -0.8283 -0.8277 -0.1860 -0.1850 0.3529 0.3566 1.0729 1.0898 1.1292 1.1424 1.5201 1.5205 2.2913 2.2919 2.4368 2.4374 2.9869 2.9872 3.0262 3.0276 3.9538 3.9544 6.7811 6.7891 7.5950 7.5998 9.0468 9.0573 k =-0.0327 0.0313 0.6925 ( 2932 PWs) bands (ev): -13.9231 -13.9230 -13.6253 -13.6248 -13.3202 -13.3198 -13.2569 -13.2565 -6.1965 -6.1964 -1.9748 -1.9675 -0.8220 -0.8210 -0.1891 -0.1876 0.3500 0.3555 1.0602 1.0782 1.1429 1.1553 1.5263 1.5270 2.2889 2.2898 2.4336 2.4345 2.9852 2.9856 3.0205 3.0226 3.9594 3.9603 6.7803 6.7923 7.5919 7.5991 9.0374 9.0532 k =-0.0436 0.0417 0.6925 ( 2938 PWs) bands (ev): -13.9213 -13.9212 -13.6245 -13.6239 -13.3213 -13.3206 -13.2588 -13.2583 -6.1996 -6.1994 -1.9732 -1.9636 -0.8132 -0.8119 -0.1933 -0.1914 0.3463 0.3536 1.0486 1.0678 1.1558 1.1675 1.5350 1.5359 2.2855 2.2868 2.4291 2.4303 2.9828 2.9835 3.0129 3.0157 3.9671 3.9682 6.7798 6.7959 7.5881 7.5976 9.0253 9.0463 k =-0.0545 0.0522 0.6925 ( 2930 PWs) bands (ev): -13.9190 -13.9189 -13.6236 -13.6227 -13.3225 -13.3218 -13.2611 -13.2605 -6.2035 -6.2034 -1.9707 -1.9589 -0.8019 -0.8003 -0.1986 -0.1964 0.3420 0.3510 1.0385 1.0590 1.1676 1.1786 1.5461 1.5473 2.2812 2.2828 2.4234 2.4249 2.9798 2.9807 3.0037 3.0073 3.9768 3.9782 6.7796 6.7998 7.5835 7.5955 9.0103 9.0366 k =-0.0653 0.0626 0.6925 ( 2926 PWs) bands (ev): -13.9161 -13.9160 -13.6223 -13.6213 -13.3241 -13.3231 -13.2639 -13.2631 -6.2084 -6.2082 -1.9671 -1.9533 -0.7885 -0.7864 -0.2049 -0.2024 0.3371 0.3478 1.0301 1.0519 1.1783 1.1886 1.5594 1.5610 2.2760 2.2780 2.4162 2.4180 2.9761 2.9773 2.9932 2.9975 3.9883 3.9899 6.7795 6.8039 7.5781 7.5925 8.9925 9.0240 k =-0.0762 0.0731 0.6925 ( 2922 PWs) bands (ev): -13.9129 -13.9127 -13.6209 -13.6198 -13.3258 -13.3248 -13.2672 -13.2663 -6.2141 -6.2140 -1.9624 -1.9467 -0.7729 -0.7704 -0.2122 -0.2095 0.3316 0.3439 1.0235 1.0467 1.1876 1.1973 1.5749 1.5768 2.2699 2.2723 2.4077 2.4096 2.9717 2.9733 2.9817 2.9870 4.0014 4.0032 6.7793 6.8080 7.5719 7.5889 8.9718 9.0085 k =-0.0871 0.0835 0.6925 ( 2926 PWs) bands (ev): -13.9091 -13.9090 -13.6193 -13.6180 -13.3278 -13.3266 -13.2708 -13.2698 -6.2209 -6.2207 -1.9565 -1.9390 -0.7556 -0.7524 -0.2205 -0.2174 0.3258 0.3396 1.0189 1.0436 1.1956 1.2047 1.5922 1.5945 2.2628 2.2657 2.3976 2.3997 2.9660 2.9682 2.9702 2.9763 4.0159 4.0180 6.7790 6.8120 7.5650 7.5844 8.9481 8.9898 k =-0.0980 0.0939 0.6925 ( 2926 PWs) bands (ev): -13.9050 -13.9048 -13.6175 -13.6160 -13.3300 -13.3286 -13.2749 -13.2738 -6.2285 -6.2283 -1.9492 -1.9301 -0.7366 -0.7325 -0.2295 -0.2261 0.3196 0.3348 1.0164 1.0426 1.2023 1.2108 1.6112 1.6139 2.2548 2.2583 2.3860 2.3882 2.9563 2.9584 2.9641 2.9672 4.0316 4.0339 6.7783 6.8157 7.5574 7.5792 8.9213 8.9681 k =-0.1089 0.1044 0.6925 ( 2918 PWs) bands (ev): -13.9004 -13.9002 -13.6155 -13.6139 -13.3324 -13.3309 -13.2793 -13.2781 -6.2372 -6.2370 -1.9405 -1.9200 -0.7165 -0.7112 -0.2392 -0.2351 0.3133 0.3298 1.0161 1.0437 1.2077 1.2158 1.6315 1.6346 2.2459 2.2501 2.3728 2.3752 2.9439 2.9478 2.9587 2.9602 4.0484 4.0508 6.7772 6.8190 7.5490 7.5733 8.8914 8.9431 k =-0.1198 0.1148 0.6925 ( 2928 PWs) bands (ev): -13.8954 -13.8952 -13.6134 -13.6116 -13.3350 -13.3333 -13.2840 -13.2827 -6.2468 -6.2466 -1.9303 -1.9086 -0.6955 -0.6886 -0.2492 -0.2441 0.3069 0.3247 1.0178 1.0469 1.2120 1.2197 1.6527 1.6564 2.2360 2.2410 2.3580 2.3605 2.9314 2.9363 2.9529 2.9539 4.0659 4.0686 6.7753 6.8216 7.5398 7.5666 8.8584 8.9150 k =-0.1307 0.1252 0.6925 ( 2926 PWs) bands (ev): -13.8901 -13.8899 -13.6112 -13.6092 -13.3377 -13.3358 -13.2890 -13.2876 -6.2574 -6.2571 -1.9186 -1.8957 -0.6742 -0.6653 -0.2591 -0.2527 0.3006 0.3196 1.0215 1.0521 1.2152 1.2226 1.6747 1.6788 2.2251 2.2311 2.3416 2.3443 2.9195 2.9249 2.9467 2.9476 4.0842 4.0871 6.7726 6.8235 7.5299 7.5591 8.8223 8.8836 k =-0.1416 0.1357 0.6925 ( 2922 PWs) bands (ev): -13.8845 -13.8842 -13.6089 -13.6066 -13.3405 -13.3385 -13.2942 -13.2927 -6.2689 -6.2687 -1.9052 -1.8815 -0.6531 -0.6418 -0.2683 -0.2603 0.2946 0.3146 1.0272 1.0591 1.2176 1.2247 1.6968 1.7015 2.2133 2.2204 2.3238 2.3269 2.9081 2.9141 2.9404 2.9412 4.1030 4.1060 6.7690 6.8245 7.5193 7.5509 8.7831 8.8491 k =-0.1525 0.1461 0.6925 ( 2928 PWs) bands (ev): -13.8786 -13.8783 -13.6065 -13.6040 -13.3434 -13.3412 -13.2996 -13.2980 -6.2814 -6.2812 -1.8901 -1.8658 -0.6330 -0.6189 -0.2761 -0.2660 0.2890 0.3098 1.0348 1.0677 1.2191 1.2261 1.7189 1.7241 2.2004 2.2089 2.3047 2.3084 2.8976 2.9038 2.9338 2.9346 4.1222 4.1254 6.7643 6.8244 7.5080 7.5418 8.7410 8.8114 k =-0.1634 0.1565 0.6925 ( 2928 PWs) bands (ev): -13.8724 -13.8721 -13.6040 -13.6014 -13.3464 -13.3441 -13.3051 -13.3035 -6.2949 -6.2947 -1.8735 -1.8487 -0.6148 -0.5976 -0.2814 -0.2689 0.2838 0.3055 1.0440 1.0779 1.2200 1.2270 1.7404 1.7462 2.1862 2.1965 2.2847 2.2893 2.8879 2.8945 2.9271 2.9278 4.1416 4.1449 6.7585 6.8232 7.4960 7.5320 8.6961 8.7707 k =-0.1743 0.1670 0.6925 ( 2936 PWs) bands (ev): -13.8661 -13.8657 -13.6015 -13.5987 -13.3495 -13.3470 -13.3107 -13.3090 -6.3093 -6.3090 -1.8553 -1.8302 -0.5993 -0.5788 -0.2830 -0.2681 0.2792 0.3016 1.0547 1.0893 1.2204 1.2275 1.7608 1.7673 2.1708 2.1829 2.2644 2.2702 2.8793 2.8860 2.9203 2.9211 4.1611 4.1646 6.7515 6.8207 7.4833 7.5213 8.6484 8.7270 k =-0.1852 0.1774 0.6925 ( 2932 PWs) bands (ev): -13.8595 -13.8592 -13.5990 -13.5961 -13.3525 -13.3499 -13.3164 -13.3146 -6.3245 -6.3243 -1.8356 -1.8104 -0.5873 -0.5636 -0.2798 -0.2627 0.2754 0.2982 1.0667 1.1015 1.2205 1.2278 1.7796 1.7868 2.1536 2.1678 2.2446 2.2520 2.8715 2.8784 2.9135 2.9143 4.1806 4.1843 6.7433 6.8170 7.4700 7.5098 8.5981 8.6806 k =-0.1960 0.1879 0.6925 ( 2936 PWs) bands (ev): -13.8529 -13.8525 -13.5965 -13.5934 -13.3556 -13.3528 -13.3220 -13.3202 -6.3406 -6.3404 -1.8146 -1.7895 -0.5792 -0.5529 -0.2708 -0.2522 0.2724 0.2957 1.0798 1.1143 1.2205 1.2282 1.7961 1.8041 2.1344 2.1504 2.2268 2.2355 2.8647 2.8717 2.9068 2.9075 4.2000 4.2038 6.7339 6.8120 7.4560 7.4975 8.5455 8.6316 k =-0.2069 0.1983 0.6925 ( 2940 PWs) bands (ev): -13.8462 -13.8458 -13.5941 -13.5909 -13.3586 -13.3556 -13.3276 -13.3257 -6.3574 -6.3572 -1.7924 -1.7676 -0.5748 -0.5467 -0.2559 -0.2366 0.2705 0.2940 1.0935 1.1270 1.2205 1.2293 1.8095 1.8183 2.1129 2.1300 2.2123 2.2219 2.8589 2.8659 2.9001 2.9009 4.2192 4.2231 6.7234 6.8057 7.4415 7.4844 8.4907 8.5801 k =-0.2178 0.2087 0.6925 ( 2944 PWs) bands (ev): -13.8395 -13.8390 -13.5918 -13.5884 -13.3615 -13.3584 -13.3330 -13.3311 -6.3750 -6.3748 -1.7693 -1.7450 -0.5734 -0.5442 -0.2358 -0.2165 0.2697 0.2933 1.1076 1.1387 1.2208 1.2315 1.8193 1.8287 2.0889 2.1063 2.2023 2.2120 2.8538 2.8609 2.8936 2.8944 4.2380 4.2421 6.7118 6.7983 7.4265 7.4706 8.4340 8.5264 k =-0.2287 0.2192 0.6925 ( 2950 PWs) bands (ev): -13.8328 -13.8323 -13.5896 -13.5860 -13.3644 -13.3611 -13.3383 -13.3364 -6.3932 -6.3930 -1.7454 -1.7219 -0.5741 -0.5441 -0.2115 -0.1928 0.2702 0.2939 1.1213 1.1487 1.2220 1.2359 1.8245 1.8345 2.0626 2.0798 2.1971 2.2066 2.8496 2.8566 2.8873 2.8881 4.2565 4.2607 6.6994 6.7898 7.4109 7.4559 8.3755 8.4707 k =-0.2396 0.2296 0.6925 ( 2946 PWs) bands (ev): -13.8262 -13.8257 -13.5876 -13.5839 -13.3671 -13.3637 -13.3433 -13.3414 -6.4119 -6.4117 -1.7213 -1.6986 -0.5756 -0.5452 -0.1842 -0.1666 0.2725 0.2959 1.1339 1.1559 1.2245 1.2433 1.8248 1.8350 2.0344 2.0509 2.1967 2.2059 2.8460 2.8530 2.8812 2.8820 4.2744 4.2788 6.6863 6.7804 7.3948 7.4406 8.3155 8.4132 k =-0.2505 0.2400 0.6925 ( 2944 PWs) bands (ev): -13.8197 -13.8192 -13.5857 -13.5819 -13.3696 -13.3661 -13.3481 -13.3462 -6.4310 -6.4309 -1.6971 -1.6755 -0.5769 -0.5461 -0.1554 -0.1390 0.2766 0.2997 1.1442 1.1599 1.2293 1.2540 1.8199 1.8301 2.0045 2.0204 2.2009 2.2096 2.8431 2.8500 2.8755 2.8763 4.2917 4.2962 6.6727 6.7703 7.3783 7.4246 8.2543 8.3542 k =-0.2614 0.2505 0.6925 ( 2942 PWs) bands (ev): -13.8133 -13.8128 -13.5840 -13.5801 -13.3720 -13.3684 -13.3525 -13.3506 -6.4506 -6.4504 -1.6734 -1.6530 -0.5769 -0.5457 -0.1260 -0.1109 0.2832 0.3056 1.1513 1.1611 1.2373 1.2676 1.8101 1.8199 1.9733 1.9885 2.2092 2.2175 2.8406 2.8476 2.8700 2.8709 4.3084 4.3130 6.6588 6.7597 7.3615 7.4081 8.1920 8.2938 k =-0.2723 0.2609 0.6925 ( 2942 PWs) bands (ev): -13.8072 -13.8067 -13.5826 -13.5785 -13.3742 -13.3705 -13.3566 -13.3548 -6.4703 -6.4702 -1.6506 -1.6316 -0.5747 -0.5430 -0.0972 -0.0834 0.2925 0.3141 1.1545 1.1603 1.2487 1.2833 1.7957 1.8048 1.9412 1.9557 2.2209 2.2288 2.8387 2.8456 2.8649 2.8658 4.3243 4.3290 6.6448 6.7489 7.3443 7.3910 8.1289 8.2322 k =-0.2723 0.2609 0.6925 ( 2942 PWs) bands (ev): -13.8072 -13.8067 -13.5826 -13.5785 -13.3742 -13.3705 -13.3566 -13.3548 -6.4703 -6.4702 -1.6506 -1.6316 -0.5747 -0.5430 -0.0972 -0.0834 0.2925 0.3141 1.1545 1.1603 1.2487 1.2833 1.7957 1.8048 1.9412 1.9557 2.2209 2.2288 2.8387 2.8456 2.8649 2.8658 4.3243 4.3290 6.6448 6.7489 7.3443 7.3910 8.1289 8.2322 k =-0.2799 0.2682 0.6820 ( 2942 PWs) bands (ev): -13.8037 -13.8032 -13.5818 -13.5777 -13.3743 -13.3712 -13.3603 -13.3569 -6.4838 -6.4836 -1.6389 -1.6208 -0.5616 -0.5296 -0.0815 -0.0696 0.3033 0.3255 1.1323 1.1374 1.2618 1.2979 1.8051 1.8150 1.9043 1.9204 2.2332 2.2407 2.8426 2.8452 2.8581 2.8623 4.3348 4.3394 6.6290 6.7372 7.3348 7.3906 8.0834 8.1870 k =-0.2875 0.2755 0.6715 ( 2942 PWs) bands (ev): -13.8016 -13.8011 -13.5806 -13.5764 -13.3782 -13.3763 -13.3582 -13.3544 -6.4965 -6.4964 -1.6275 -1.6104 -0.5471 -0.5147 -0.0699 -0.0598 0.3174 0.3398 1.1081 1.1130 1.2741 1.3112 1.8097 1.8206 1.8719 1.8900 2.2469 2.2539 2.8294 2.8305 2.8679 2.8736 4.3448 4.3495 6.6117 6.7241 7.3286 7.3924 8.0389 8.1428 k =-0.2951 0.2827 0.6609 ( 2936 PWs) bands (ev): -13.8007 -13.8003 -13.5790 -13.5748 -13.3837 -13.3826 -13.3536 -13.3497 -6.5086 -6.5085 -1.6163 -1.6002 -0.5310 -0.4983 -0.0630 -0.0546 0.3352 0.3575 1.0822 1.0873 1.2854 1.3232 1.8024 1.8092 1.8570 1.8717 2.2614 2.2682 2.8146 2.8153 2.8795 2.8853 4.3545 4.3591 6.5935 6.7100 7.3255 7.3958 7.9955 8.0999 k =-0.3026 0.2900 0.6504 ( 2933 PWs) bands (ev): -13.8007 -13.8003 -13.5774 -13.5732 -13.3895 -13.3888 -13.3481 -13.3441 -6.5199 -6.5198 -1.6056 -1.5905 -0.5134 -0.4803 -0.0612 -0.0540 0.3567 0.3784 1.0553 1.0608 1.2955 1.3340 1.7791 1.7811 1.8604 1.8689 2.2764 2.2830 2.8002 2.8008 2.8907 2.8965 4.3635 4.3682 6.5752 6.6954 7.3250 7.4003 7.9538 8.0588 k =-0.3102 0.2973 0.6399 ( 2933 PWs) bands (ev): -13.8014 -13.8010 -13.5757 -13.5716 -13.3952 -13.3946 -13.3421 -13.3382 -6.5304 -6.5303 -1.5954 -1.5812 -0.4944 -0.4608 -0.0647 -0.0578 0.3816 0.4025 1.0277 1.0338 1.3044 1.3434 1.7467 1.7514 1.8680 1.8738 2.2916 2.2980 2.7867 2.7872 2.9013 2.9070 4.3719 4.3766 6.5571 6.6807 7.3267 7.4054 7.9139 8.0196 k =-0.3178 0.3045 0.6294 ( 2929 PWs) bands (ev): -13.8025 -13.8022 -13.5740 -13.5701 -13.4007 -13.3998 -13.3361 -13.3322 -6.5401 -6.5400 -1.5857 -1.5723 -0.4739 -0.4399 -0.0730 -0.0657 0.4092 0.4290 1.0001 1.0069 1.3121 1.3517 1.7142 1.7205 1.8762 1.8809 2.3065 2.3129 2.7742 2.7746 2.9110 2.9167 4.3797 4.3844 6.5399 6.6663 7.3299 7.4107 7.8762 7.9829 k =-0.3254 0.3118 0.6189 ( 2925 PWs) bands (ev): -13.8039 -13.8036 -13.5725 -13.5686 -13.4057 -13.4046 -13.3301 -13.3263 -6.5489 -6.5488 -1.5765 -1.5640 -0.4525 -0.4179 -0.0853 -0.0770 0.4385 0.4570 0.9732 0.9810 1.3187 1.3589 1.6828 1.6899 1.8840 1.8884 2.3208 2.3272 2.7628 2.7632 2.9198 2.9255 4.3867 4.3914 6.5240 6.6527 7.3344 7.4155 7.8413 7.9490 k =-0.3330 0.3191 0.6084 ( 2928 PWs) bands (ev): -13.8054 -13.8052 -13.5712 -13.5674 -13.4102 -13.4089 -13.3244 -13.3207 -6.5567 -6.5566 -1.5679 -1.5562 -0.4304 -0.3952 -0.1004 -0.0913 0.4678 0.4849 0.9484 0.9573 1.3242 1.3649 1.6528 1.6604 1.8912 1.8955 2.3342 2.3407 2.7525 2.7531 2.9277 2.9333 4.3929 4.3977 6.5096 6.6403 7.3394 7.4195 7.8095 7.9183 k =-0.3406 0.3264 0.5979 ( 2922 PWs) bands (ev): -13.8070 -13.8067 -13.5700 -13.5662 -13.4143 -13.4127 -13.3191 -13.3155 -6.5636 -6.5635 -1.5600 -1.5490 -0.4084 -0.3726 -0.1171 -0.1073 0.4952 0.5108 0.9272 0.9375 1.3288 1.3699 1.6242 1.6321 1.8977 1.9021 2.3463 2.3530 2.7434 2.7443 2.9347 2.9402 4.3984 4.4032 6.4972 6.6294 7.3447 7.4221 7.7813 7.8913 k =-0.3482 0.3336 0.5874 ( 2920 PWs) bands (ev): -13.8084 -13.8082 -13.5689 -13.5653 -13.4178 -13.4159 -13.3144 -13.3109 -6.5695 -6.5694 -1.5527 -1.5424 -0.3878 -0.3511 -0.1337 -0.1236 0.5181 0.5320 0.9121 0.9239 1.3324 1.3740 1.5972 1.6050 1.9035 1.9080 2.3570 2.3638 2.7356 2.7368 2.9406 2.9461 4.4030 4.4079 6.4868 6.6203 7.3497 7.4230 7.7573 7.8685 k =-0.3558 0.3409 0.5768 ( 2929 PWs) bands (ev): -13.8097 -13.8095 -13.5680 -13.5644 -13.4208 -13.4187 -13.3103 -13.3069 -6.5744 -6.5743 -1.5462 -1.5364 -0.3707 -0.3330 -0.1478 -0.1375 0.5337 0.5457 0.9060 0.9194 1.3352 1.3772 1.5715 1.5792 1.9085 1.9132 2.3658 2.3728 2.7292 2.7308 2.9454 2.9508 4.4068 4.4118 6.4788 6.6132 7.3539 7.4219 7.7378 7.8502 k =-0.3634 0.3482 0.5663 ( 2937 PWs) bands (ev): -13.8108 -13.8106 -13.5672 -13.5637 -13.4232 -13.4208 -13.3071 -13.3037 -6.5782 -6.5781 -1.5403 -1.5310 -0.3599 -0.3213 -0.1566 -0.1453 0.5394 0.5496 0.9111 0.9258 1.3372 1.3795 1.5472 1.5546 1.9127 1.9175 2.3727 2.3798 2.7242 2.7261 2.9492 2.9545 4.4098 4.4149 6.4732 6.6082 7.3568 7.4186 7.7232 7.8368 k =-0.3710 0.3555 0.5558 ( 2933 PWs) bands (ev): -13.8117 -13.8114 -13.5666 -13.5631 -13.4251 -13.4225 -13.3046 -13.3014 -6.5810 -6.5809 -1.5353 -1.5263 -0.3585 -0.3192 -0.1572 -0.1434 0.5346 0.5430 0.9281 0.9438 1.3386 1.3811 1.5241 1.5311 1.9162 1.9211 2.3775 2.3847 2.7205 2.7228 2.9519 2.9571 4.4120 4.4171 6.4700 6.6054 7.3580 7.4133 7.7138 7.8285 k =-0.3786 0.3627 0.5453 ( 2934 PWs) bands (ev): -13.8122 -13.8120 -13.5661 -13.5626 -13.4264 -13.4236 -13.3031 -13.3000 -6.5826 -6.5826 -1.5310 -1.5223 -0.3670 -0.3278 -0.1479 -0.1312 0.5206 0.5275 0.9554 0.9717 1.3396 1.3821 1.5020 1.5087 1.9189 1.9240 2.3800 2.3874 2.7182 2.7209 2.9535 2.9586 4.4133 4.4185 6.4694 6.6048 7.3573 7.4064 7.7096 7.8254 k =-0.3861 0.3700 0.5348 ( 2932 PWs) bands (ev): -13.8124 -13.8122 -13.5658 -13.5623 -13.4271 -13.4241 -13.3024 -13.2995 -6.5832 -6.5832 -1.5277 -1.5191 -0.3833 -0.3446 -0.1306 -0.1118 0.4997 0.5055 0.9905 1.0072 1.3404 1.3826 1.4810 1.4873 1.9211 1.9262 2.3802 2.3878 2.7173 2.7203 2.9541 2.9590 4.4138 4.4191 6.4712 6.6065 7.3544 7.3985 7.7104 7.8272 k =-0.3861 0.3700 0.5348 ( 2932 PWs) bands (ev): -13.8124 -13.8122 -13.5658 -13.5623 -13.4271 -13.4241 -13.3024 -13.2995 -6.5832 -6.5832 -1.5277 -1.5191 -0.3833 -0.3446 -0.1306 -0.1118 0.4997 0.5055 0.9905 1.0072 1.3404 1.3826 1.4810 1.4873 1.9211 1.9262 2.3802 2.3878 2.7173 2.7203 2.9541 2.9590 4.4138 4.4191 6.4712 6.6065 7.3544 7.3985 7.7104 7.8272 k =-0.3784 0.3626 0.5241 ( 2940 PWs) bands (ev): -13.8265 -13.8263 -13.5617 -13.5582 -13.4282 -13.4250 -13.2925 -13.2894 -6.5625 -6.5624 -1.5306 -1.5208 -0.4125 -0.3740 -0.1454 -0.1255 0.4721 0.4777 0.9647 0.9827 1.3273 1.3662 1.5044 1.5112 1.9695 1.9750 2.3732 2.3812 2.7037 2.7070 2.9694 2.9745 4.4066 4.4120 6.4629 6.5988 7.3902 7.4327 7.7713 7.8919 k =-0.3707 0.3552 0.5134 ( 2940 PWs) bands (ev): -13.8425 -13.8422 -13.5570 -13.5535 -13.4284 -13.4251 -13.2821 -13.2789 -6.5408 -6.5408 -1.5349 -1.5237 -0.4401 -0.4017 -0.1585 -0.1376 0.4451 0.4506 0.9362 0.9556 1.3097 1.3456 1.5303 1.5377 2.0164 2.0222 2.3676 2.3760 2.6897 2.6932 2.9850 2.9901 4.3989 4.4044 6.4559 6.5923 7.4271 7.4683 7.8332 7.9571 k =-0.3630 0.3478 0.5027 ( 2936 PWs) bands (ev): -13.8602 -13.8599 -13.5516 -13.5482 -13.4278 -13.4244 -13.2712 -13.2678 -6.5184 -6.5183 -1.5407 -1.5279 -0.4661 -0.4280 -0.1697 -0.1476 0.4187 0.4242 0.9054 0.9266 1.2896 1.3227 1.5565 1.5640 2.0615 2.0674 2.3635 2.3724 2.6755 2.6792 3.0006 3.0058 4.3909 4.3963 6.4502 6.5871 7.4649 7.5050 7.8956 8.0227 k =-0.3553 0.3404 0.4920 ( 2930 PWs) bands (ev): -13.8796 -13.8793 -13.5457 -13.5422 -13.4263 -13.4229 -13.2598 -13.2564 -6.4951 -6.4951 -1.5478 -1.5335 -0.4907 -0.4530 -0.1788 -0.1557 0.3933 0.3989 0.8728 0.8959 1.2680 1.2986 1.5819 1.5890 2.1042 2.1103 2.3611 2.3704 2.6610 2.6650 3.0161 3.0214 4.3825 4.3879 6.4460 6.5832 7.5036 7.5426 7.9584 8.0883 k =-0.3475 0.3330 0.4813 ( 2934 PWs) bands (ev): -13.9006 -13.9002 -13.5391 -13.5357 -13.4241 -13.4206 -13.2479 -13.2445 -6.4712 -6.4711 -1.5563 -1.5403 -0.5142 -0.4769 -0.1858 -0.1616 0.3691 0.3747 0.8387 0.8639 1.2457 1.2737 1.6054 1.6121 2.1443 2.1505 2.3604 2.3702 2.6464 2.6506 3.0313 3.0366 4.3739 4.3792 6.4432 6.5807 7.5429 7.5811 8.0211 8.1536 k =-0.3398 0.3256 0.4706 ( 2934 PWs) bands (ev): -13.9229 -13.9226 -13.5319 -13.5286 -13.4211 -13.4176 -13.2357 -13.2321 -6.4466 -6.4465 -1.5660 -1.5484 -0.5368 -0.5000 -0.1908 -0.1655 0.3462 0.3521 0.8034 0.8308 1.2231 1.2486 1.6267 1.6328 2.1815 2.1877 2.3615 2.3717 2.6317 2.6362 3.0458 3.0512 4.3650 4.3702 6.4419 6.5797 7.5828 7.6203 8.0836 8.2185 k =-0.3321 0.3182 0.4599 ( 2938 PWs) bands (ev): -13.9465 -13.9462 -13.5243 -13.5210 -13.4176 -13.4141 -13.2231 -13.2195 -6.4215 -6.4214 -1.5768 -1.5575 -0.5587 -0.5224 -0.1940 -0.1677 0.3251 0.3311 0.7673 0.7969 1.2007 1.2236 1.6453 1.6509 2.2154 2.2216 2.3644 2.3749 2.6172 2.6219 3.0596 3.0651 4.3561 4.3611 6.4422 6.5801 7.6231 7.6601 8.1455 8.2827 k =-0.3244 0.3108 0.4492 ( 2934 PWs) bands (ev): -13.9712 -13.9709 -13.5161 -13.5129 -13.4135 -13.4099 -13.2101 -13.2064 -6.3958 -6.3957 -1.5885 -1.5675 -0.5801 -0.5445 -0.1955 -0.1683 0.3059 0.3120 0.7307 0.7625 1.1788 1.1993 1.6610 1.6663 2.2460 2.2519 2.3689 2.3796 2.6029 2.6078 3.0725 3.0781 4.3470 4.3519 6.4441 6.5821 7.6638 7.7002 8.2067 8.3459 k =-0.3166 0.3034 0.4385 ( 2932 PWs) bands (ev): -13.9969 -13.9965 -13.5076 -13.5044 -13.4088 -13.4053 -13.1968 -13.1931 -6.3697 -6.3696 -1.6008 -1.5782 -0.6014 -0.5664 -0.1959 -0.1680 0.2888 0.2952 0.6939 0.7278 1.1579 1.1759 1.6738 1.6787 2.2732 2.2785 2.3749 2.3855 2.5889 2.5940 3.0841 3.0899 4.3381 4.3426 6.4477 6.5856 7.7048 7.7407 8.2670 8.4080 k =-0.3089 0.2960 0.4278 ( 2940 PWs) bands (ev): -14.0233 -14.0230 -13.4986 -13.4955 -13.4038 -13.4002 -13.1831 -13.1794 -6.3432 -6.3431 -1.6136 -1.5894 -0.6226 -0.5882 -0.1957 -0.1671 0.2743 0.2809 0.6573 0.6931 1.1382 1.1539 1.6834 1.6882 2.2969 2.3013 2.3820 2.3922 2.5754 2.5806 3.0944 3.1003 4.3291 4.3334 6.4530 6.5907 7.7458 7.7813 8.3261 8.4688 k =-0.3012 0.2886 0.4171 ( 2946 PWs) bands (ev): -14.0505 -14.0501 -13.4893 -13.4863 -13.3983 -13.3948 -13.1693 -13.1655 -6.3164 -6.3163 -1.6266 -1.6009 -0.6439 -0.6103 -0.1955 -0.1665 0.2623 0.2693 0.6211 0.6586 1.1202 1.1338 1.6899 1.6947 2.3173 2.3204 2.3895 2.3988 2.5627 2.5679 3.1033 3.1094 4.3203 4.3242 6.4599 6.5972 7.7869 7.8220 8.3839 8.5281 k =-0.2935 0.2812 0.4064 ( 2942 PWs) bands (ev): -14.0781 -14.0778 -13.4797 -13.4768 -13.3925 -13.3890 -13.1551 -13.1514 -6.2892 -6.2891 -1.6397 -1.6124 -0.6654 -0.6325 -0.1959 -0.1668 0.2531 0.2605 0.5859 0.6246 1.1044 1.1159 1.6936 1.6984 2.3346 2.3362 2.3966 2.4048 2.5510 2.5561 3.1106 3.1169 4.3115 4.3152 6.4685 6.6054 7.8279 7.8627 8.4403 8.5857 k =-0.2857 0.2738 0.3958 ( 2942 PWs) bands (ev): -14.1062 -14.1060 -13.4699 -13.4670 -13.3864 -13.3829 -13.1408 -13.1370 -6.2619 -6.2618 -1.6525 -1.6238 -0.6872 -0.6551 -0.1975 -0.1685 0.2466 0.2545 0.5520 0.5916 1.0910 1.1007 1.6943 1.6993 2.3483 2.3491 2.4027 2.4095 2.5408 2.5456 3.1162 3.1228 4.3029 4.3062 6.4787 6.6149 7.8688 7.9032 8.4950 8.6415 k =-0.2780 0.2664 0.3851 ( 2936 PWs) bands (ev): -14.1347 -14.1344 -13.4598 -13.4570 -13.3801 -13.3766 -13.1263 -13.1225 -6.2344 -6.2342 -1.6648 -1.6347 -0.7093 -0.6781 -0.2007 -0.1723 0.2426 0.2510 0.5199 0.5597 1.0807 1.0888 1.6924 1.6975 2.3575 2.3596 2.4070 2.4124 2.5324 2.5368 3.1203 3.1272 4.2943 4.2972 6.4905 6.6259 7.9094 7.9435 8.5480 8.6953 k =-0.2703 0.2590 0.3744 ( 2924 PWs) bands (ev): -14.1633 -14.1631 -13.4496 -13.4468 -13.3735 -13.3701 -13.1116 -13.1079 -6.2067 -6.2065 -1.6766 -1.6452 -0.7318 -0.7014 -0.2061 -0.1786 0.2406 0.2497 0.4901 0.5295 1.0737 1.0804 1.6880 1.6932 2.3629 2.3661 2.4088 2.4133 2.5266 2.5303 3.1227 3.1301 4.2857 4.2883 6.5037 6.6381 7.9498 7.9835 8.5993 8.7472 k =-0.2626 0.2516 0.3637 ( 2932 PWs) bands (ev): -14.1921 -14.1918 -13.4392 -13.4365 -13.3668 -13.3634 -13.0969 -13.0931 -6.1789 -6.1788 -1.6875 -1.6548 -0.7547 -0.7252 -0.2137 -0.1877 0.2399 0.2499 0.4632 0.5014 1.0706 1.0762 1.6812 1.6866 2.3643 2.3681 2.4074 2.4118 2.5241 2.5270 3.1237 3.1315 4.2770 4.2793 6.5183 6.6515 7.9898 8.0231 8.6486 8.7969 k =-0.2549 0.2442 0.3530 ( 2932 PWs) bands (ev): -14.2208 -14.2206 -13.4288 -13.4260 -13.3599 -13.3565 -13.0820 -13.0783 -6.1511 -6.1510 -1.6975 -1.6636 -0.7779 -0.7494 -0.2239 -0.1996 0.2397 0.2508 0.4396 0.4758 1.0717 1.0764 1.6723 1.6778 2.3615 2.3655 2.4024 2.4073 2.5254 2.5271 3.1234 3.1317 4.2680 4.2700 6.5341 6.6659 8.0293 8.0623 8.6961 8.8444 k =-0.2471 0.2368 0.3423 ( 2928 PWs) bands (ev): -14.2495 -14.2493 -13.4182 -13.4156 -13.3529 -13.3496 -13.0671 -13.0634 -6.1233 -6.1231 -1.7064 -1.6714 -0.8014 -0.7739 -0.2367 -0.2144 0.2390 0.2516 0.4201 0.4533 1.0774 1.0815 1.6614 1.6670 2.3549 2.3588 2.3934 2.3992 2.5303 2.5307 3.1220 3.1307 4.2586 4.2604 6.5510 6.6811 8.0684 8.1009 8.7417 8.8897 k =-0.2394 0.2294 0.3316 ( 2924 PWs) bands (ev): -14.2781 -14.2779 -13.4077 -13.4050 -13.3459 -13.3426 -13.0522 -13.0486 -6.0956 -6.0954 -1.7141 -1.6780 -0.8252 -0.7987 -0.2522 -0.2318 0.2369 0.2512 0.4051 0.4346 1.0879 1.0915 1.6488 1.6544 2.3450 2.3488 2.3808 2.3871 2.5372 2.5382 3.1196 3.1289 4.2486 4.2503 6.5688 6.6970 8.1069 8.1390 8.7853 8.9328 k =-0.2317 0.2220 0.3209 ( 2924 PWs) bands (ev): -14.3064 -14.3062 -13.3971 -13.3945 -13.3387 -13.3355 -13.0373 -13.0337 -6.0679 -6.0677 -1.7205 -1.6834 -0.8493 -0.8238 -0.2702 -0.2517 0.2326 0.2488 0.3950 0.4202 1.1032 1.1065 1.6345 1.6402 2.3322 2.3359 2.3648 2.3716 2.5457 2.5481 3.1166 3.1264 4.2379 4.2396 6.5873 6.7133 8.1449 8.1764 8.8271 8.9736 k =-0.2240 0.2146 0.3102 ( 2920 PWs) bands (ev): -14.3344 -14.3342 -13.3866 -13.3840 -13.3316 -13.3284 -13.0225 -13.0189 -6.0403 -6.0401 -1.7256 -1.6874 -0.8735 -0.8491 -0.2908 -0.2738 0.2260 0.2438 0.3896 0.4104 1.1232 1.1263 1.6187 1.6245 2.3170 2.3203 2.3462 2.3530 2.5554 2.5593 3.1132 3.1236 4.2262 4.2280 6.6063 6.7299 8.1822 8.2131 8.8670 9.0123 k =-0.2162 0.2072 0.2995 ( 2924 PWs) bands (ev): -14.3620 -14.3619 -13.3761 -13.3736 -13.3245 -13.3214 -13.0078 -13.0042 -6.0130 -6.0127 -1.7291 -1.6900 -0.8978 -0.8744 -0.3139 -0.2975 0.2173 0.2360 0.3884 0.4054 1.1478 1.1508 1.6017 1.6076 2.2994 2.3018 2.3259 2.3322 2.5659 2.5710 3.1097 3.1206 4.2134 4.2153 6.6256 6.7466 8.2188 8.2490 8.9051 9.0488 k =-0.2085 0.1998 0.2888 ( 2916 PWs) bands (ev): -14.3892 -14.3891 -13.3658 -13.3633 -13.3173 -13.3143 -12.9932 -12.9897 -5.9858 -5.9856 -1.7312 -1.6911 -0.9221 -0.8999 -0.3394 -0.3227 0.2069 0.2258 0.3908 0.4047 1.1766 1.1794 1.5835 1.5895 2.2791 2.2802 2.3047 2.3101 2.5766 2.5828 3.1063 3.1178 4.1994 4.2015 6.6450 6.7632 8.2547 8.2841 8.9415 9.0833 k =-0.2008 0.1924 0.2781 ( 2912 PWs) bands (ev): -14.4159 -14.4158 -13.3555 -13.3532 -13.3103 -13.3073 -12.9787 -12.9753 -5.9589 -5.9586 -1.7317 -1.6907 -0.9464 -0.9252 -0.3668 -0.3491 0.1954 0.2136 0.3961 0.4076 1.2088 1.2117 1.5643 1.5704 2.2545 2.2569 2.2832 2.2878 2.5873 2.5944 3.1033 3.1152 4.1839 4.1862 6.6643 6.7794 8.2897 8.3183 8.9762 9.1157 k =-0.1931 0.1850 0.2674 ( 2912 PWs) bands (ev): -14.4420 -14.4419 -13.3454 -13.3431 -13.3033 -13.3004 -12.9644 -12.9611 -5.9323 -5.9320 -1.7306 -1.6888 -0.9706 -0.9505 -0.3960 -0.3765 0.1831 0.2001 0.4037 0.4136 1.2440 1.2469 1.5443 1.5505 2.2268 2.2313 2.2616 2.2660 2.5976 2.6056 3.1008 3.1132 4.1669 4.1694 6.6833 6.7951 8.3239 8.3516 9.0093 9.1463 k =-0.1853 0.1776 0.2567 ( 2908 PWs) bands (ev): -14.4675 -14.4674 -13.3355 -13.3333 -13.2964 -13.2936 -12.9504 -12.9472 -5.9060 -5.9057 -1.7279 -1.6852 -0.9946 -0.9755 -0.4264 -0.4048 0.1702 0.1858 0.4135 0.4221 1.2811 1.2843 1.5237 1.5301 2.1975 2.2034 2.2400 2.2447 2.6075 2.6161 3.0992 3.1119 4.1483 4.1510 6.7019 6.8101 8.3572 8.3839 9.0409 9.1750 k =-0.1776 0.1702 0.2460 ( 2908 PWs) bands (ev): -14.4923 -14.4922 -13.3258 -13.3236 -13.2896 -13.2870 -12.9366 -12.9335 -5.8802 -5.8799 -1.7235 -1.6801 -1.0183 -1.0003 -0.4578 -0.4338 0.1571 0.1711 0.4250 0.4327 1.3191 1.3228 1.5026 1.5093 2.1675 2.1743 2.2187 2.2235 2.6168 2.6260 3.0984 3.1114 4.1278 4.1307 6.7199 6.8243 8.3895 8.4150 9.0711 9.2019 k =-0.1699 0.1628 0.2353 ( 2908 PWs) bands (ev): -14.5164 -14.5163 -13.3164 -13.3142 -13.2830 -13.2804 -12.9232 -12.9201 -5.8547 -5.8545 -1.7176 -1.6734 -1.0417 -1.0246 -0.4897 -0.4635 0.1438 0.1563 0.4381 0.4451 1.3566 1.3613 1.4813 1.4888 2.1377 2.1451 2.1977 2.2025 2.6254 2.6350 3.0986 3.1118 4.1055 4.1086 6.7372 6.8376 8.4207 8.4450 9.0998 9.2273 k =-0.1622 0.1554 0.2246 ( 2902 PWs) bands (ev): -14.5397 -14.5397 -13.3072 -13.3051 -13.2765 -13.2741 -12.9100 -12.9070 -5.8298 -5.8296 -1.7101 -1.6651 -1.0646 -1.0486 -0.5221 -0.4935 0.1305 0.1416 0.4526 0.4590 1.3905 1.3976 1.4608 1.4701 2.1093 2.1168 2.1773 2.1819 2.6335 2.6433 3.0998 3.1130 4.0813 4.0846 6.7536 6.8499 8.4508 8.4738 9.1273 9.2510 k =-0.1545 0.1480 0.2139 ( 2896 PWs) bands (ev): -14.5623 -14.5622 -13.2982 -13.2962 -13.2702 -13.2679 -12.8972 -12.8943 -5.8055 -5.8052 -1.7010 -1.6552 -1.0871 -1.0720 -0.5545 -0.5239 0.1173 0.1271 0.4682 0.4742 1.4118 1.4223 1.4492 1.4611 2.0834 2.0906 2.1582 2.1624 2.6408 2.6507 3.1020 3.1151 4.0552 4.0586 6.7690 6.8611 8.4796 8.5013 9.1535 9.2733 k =-0.1467 0.1406 0.2032 ( 2900 PWs) bands (ev): -14.5839 -14.5839 -13.2896 -13.2877 -13.2641 -13.2619 -12.8848 -12.8820 -5.7818 -5.7815 -1.6903 -1.6439 -1.1090 -1.0948 -0.5870 -0.5544 0.1043 0.1129 0.4848 0.4905 1.4057 1.4110 1.4691 1.4743 2.0611 2.0675 2.1412 2.1449 2.6475 2.6574 3.1051 3.1180 4.0271 4.0306 6.7835 6.8711 8.5072 8.5275 9.1784 9.2941 k =-0.1390 0.1332 0.1925 ( 2906 PWs) bands (ev): -14.6047 -14.6047 -13.2813 -13.2795 -13.2582 -13.2561 -12.8728 -12.8702 -5.7587 -5.7584 -1.6782 -1.6311 -1.1303 -1.1170 -0.6194 -0.5849 0.0915 0.0992 0.5023 0.5076 1.3872 1.3912 1.4911 1.4933 2.0430 2.0480 2.1279 2.1313 2.6536 2.6633 3.1091 3.1217 3.9971 4.0007 6.7968 6.8800 8.5333 8.5522 9.2021 9.3135 k =-0.1313 0.1258 0.1818 ( 2906 PWs) bands (ev): -14.6246 -14.6245 -13.2733 -13.2716 -13.2526 -13.2506 -12.8613 -12.8588 -5.7364 -5.7361 -1.6646 -1.6168 -1.1509 -1.1384 -0.6515 -0.6154 0.0791 0.0860 0.5203 0.5254 1.3666 1.3704 1.5053 1.5063 2.0286 2.0313 2.1207 2.1248 2.6592 2.6686 3.1138 3.1260 3.9652 3.9689 6.8092 6.8877 8.5580 8.5754 9.2245 9.3315 k =-0.1236 0.1184 0.1711 ( 2906 PWs) bands (ev): -14.6435 -14.6434 -13.2657 -13.2640 -13.2471 -13.2452 -12.8503 -12.8478 -5.7149 -5.7146 -1.6497 -1.6013 -1.1707 -1.1590 -0.6833 -0.6457 0.0672 0.0734 0.5388 0.5437 1.3459 1.3498 1.5097 1.5105 2.0156 2.0159 2.1227 2.1282 2.6642 2.6733 3.1191 3.1308 3.9314 3.9353 6.8204 6.8943 8.5811 8.5970 9.2457 9.3482 k =-0.1158 0.1110 0.1604 ( 2906 PWs) bands (ev): -14.6614 -14.6613 -13.2585 -13.2569 -13.2419 -13.2402 -12.8397 -12.8374 -5.6942 -5.6939 -1.6335 -1.5845 -1.1897 -1.1787 -0.7146 -0.6758 0.0557 0.0615 0.5575 0.5623 1.3258 1.3296 1.5042 1.5056 2.0004 2.0019 2.1366 2.1430 2.6687 2.6774 3.1249 3.1360 3.8960 3.8999 6.8306 6.8998 8.6025 8.6169 9.2656 9.3634 k =-0.1081 0.1036 0.1497 ( 2904 PWs) bands (ev): -14.6782 -14.6782 -13.2517 -13.2502 -13.2370 -13.2354 -12.8297 -12.8276 -5.6745 -5.6742 -1.6161 -1.5665 -1.2079 -1.1974 -0.7455 -0.7056 0.0449 0.0502 0.5763 0.5809 1.3065 1.3102 1.4900 1.4922 1.9843 1.9868 2.1618 2.1685 2.6728 2.6810 3.1310 3.1415 3.8589 3.8629 6.8398 6.9042 8.6223 8.6352 9.2841 9.3772 k =-0.1004 0.0962 0.1390 ( 2900 PWs) bands (ev): -14.6941 -14.6940 -13.2453 -13.2439 -13.2323 -13.2309 -12.8203 -12.8183 -5.6558 -5.6555 -1.5976 -1.5475 -1.2251 -1.2151 -0.7759 -0.7352 0.0346 0.0396 0.5950 0.5995 1.2882 1.2918 1.4693 1.4721 1.9680 1.9710 2.1962 2.2027 2.6766 2.6842 3.1373 3.1472 3.8204 3.8244 6.8481 6.9077 8.6402 8.6517 9.3011 9.3894 k =-0.0927 0.0888 0.1284 ( 2902 PWs) bands (ev): -14.7088 -14.7088 -13.2393 -13.2380 -13.2279 -13.2266 -12.8115 -12.8096 -5.6381 -5.6378 -1.5782 -1.5277 -1.2413 -1.2316 -0.8057 -0.7644 0.0250 0.0298 0.6134 0.6179 1.2711 1.2746 1.4437 1.4471 1.9518 1.9550 2.2373 2.2434 2.6800 2.6870 3.1437 3.1529 3.7806 3.7846 6.8554 6.9103 8.6564 8.6664 9.3165 9.3998 k =-0.0850 0.0814 0.1177 ( 2904 PWs) bands (ev): -14.7225 -14.7224 -13.2338 -13.2325 -13.2238 -13.2227 -12.8032 -12.8015 -5.6215 -5.6213 -1.5579 -1.5071 -1.2565 -1.2470 -0.8349 -0.7932 0.0162 0.0206 0.6315 0.6359 1.2554 1.2586 1.4150 1.4189 1.9363 1.9394 2.2829 2.2886 2.6831 2.6895 3.1500 3.1585 3.7398 3.7437 6.8619 6.9121 8.6707 8.6794 9.3302 9.4083 k =-0.0772 0.0740 0.1070 ( 2906 PWs) bands (ev): -14.7350 -14.7350 -13.2288 -13.2276 -13.2199 -13.2190 -12.7956 -12.7940 -5.6062 -5.6060 -1.5371 -1.4861 -1.2705 -1.2610 -0.8633 -0.8215 0.0080 0.0122 0.6490 0.6533 1.2411 1.2441 1.3847 1.3889 1.9216 1.9245 2.3314 2.3367 2.6859 2.6917 3.1562 3.1639 3.6982 3.7021 6.8677 6.9131 8.6831 8.6906 9.3420 9.4146 k =-0.0695 0.0666 0.0963 ( 2914 PWs) bands (ev): -14.7464 -14.7464 -13.2242 -13.2231 -13.2164 -13.2156 -12.7887 -12.7872 -5.5921 -5.5919 -1.5158 -1.4648 -1.2833 -1.2736 -0.8909 -0.8494 0.0006 0.0045 0.6659 0.6702 1.2283 1.2312 1.3538 1.3581 1.9079 1.9106 2.3814 2.3863 2.6884 2.6936 3.1621 3.1690 3.6562 3.6600 6.8728 6.9135 8.6938 8.7001 9.3518 9.4184 k =-0.0618 0.0592 0.0856 ( 2920 PWs) bands (ev): -14.7566 -14.7566 -13.2202 -13.2192 -13.2131 -13.2125 -12.7824 -12.7811 -5.5793 -5.5791 -1.4944 -1.4437 -1.2947 -1.2846 -0.9174 -0.8766 -0.0060 -0.0024 0.6821 0.6862 1.2172 1.2197 1.3233 1.3277 1.8954 1.8979 2.4318 2.4362 2.6908 2.6953 3.1676 3.1738 3.6142 3.6179 6.8774 6.9134 8.7027 8.7080 9.3594 9.4194 k =-0.0541 0.0518 0.0749 ( 2920 PWs) bands (ev): -14.7657 -14.7657 -13.2166 -13.2157 -13.2102 -13.2098 -12.7768 -12.7757 -5.5678 -5.5677 -1.4733 -1.4232 -1.3046 -1.2940 -0.9427 -0.9031 -0.0119 -0.0086 0.6974 0.7014 1.2075 1.2098 1.2939 1.2983 1.8843 1.8865 2.4814 2.4854 2.6929 2.6968 3.1728 3.1782 3.5728 3.5763 6.8814 6.9129 8.7100 8.7144 9.3650 9.4175 k =-0.0463 0.0444 0.0642 ( 2919 PWs) bands (ev): -14.7736 -14.7736 -13.2135 -13.2127 -13.2076 -13.2073 -12.7719 -12.7709 -5.5578 -5.5577 -1.4527 -1.4042 -1.3125 -1.3016 -0.9663 -0.9287 -0.0169 -0.0141 0.7116 0.7154 1.1995 1.2015 1.2665 1.2706 1.8745 1.8764 2.5292 2.5327 2.6948 2.6980 3.1774 3.1820 3.5327 3.5360 6.8851 6.9119 8.7159 8.7194 9.3686 9.4132 k =-0.0386 0.0370 0.0535 ( 2919 PWs) bands (ev): -14.7803 -14.7803 -13.2110 -13.2103 -13.2053 -13.2051 -12.7677 -12.7669 -5.5493 -5.5491 -1.4333 -1.3879 -1.3178 -1.3072 -0.9878 -0.9530 -0.0212 -0.0187 0.7246 0.7281 1.1929 1.1946 1.2417 1.2454 1.8662 1.8678 2.5740 2.5769 2.6966 2.6991 3.1814 3.1853 3.4948 3.4978 6.8883 6.9107 8.7204 8.7232 9.3707 9.4070 k =-0.0309 0.0296 0.0428 ( 2915 PWs) bands (ev): -14.7858 -14.7858 -13.2089 -13.2083 -13.2034 -13.2033 -12.7643 -12.7636 -5.5422 -5.5421 -1.4159 -1.3760 -1.3195 -1.3106 -1.0065 -0.9756 -0.0246 -0.0226 0.7361 0.7391 1.1876 1.1891 1.2202 1.2234 1.8594 1.8606 2.6142 2.6165 2.6984 2.7002 3.1849 3.1880 3.4603 3.4629 6.8913 6.9091 8.7238 8.7260 9.3717 9.4000 k =-0.0232 0.0222 0.0321 ( 2907 PWs) bands (ev): -14.7901 -14.7901 -13.2073 -13.2068 -13.2019 -13.2019 -12.7616 -12.7611 -5.5367 -5.5366 -1.4010 -1.3699 -1.3172 -1.3116 -1.0214 -0.9959 -0.0273 -0.0257 0.7458 0.7482 1.1837 1.1849 1.2027 1.2052 1.8540 1.8550 2.6481 2.6496 2.7005 2.7014 3.1877 3.1900 3.4308 3.4329 6.8941 6.9074 8.7263 8.7279 9.3724 9.3930 k =-0.0154 0.0148 0.0214 ( 2903 PWs) bands (ev): -14.7931 -14.7931 -13.2061 -13.2058 -13.2008 -13.2008 -12.7596 -12.7593 -5.5327 -5.5326 -1.3893 -1.3689 -1.3128 -1.3108 -1.0315 -1.0131 -0.0291 -0.0280 0.7532 0.7549 1.1809 1.1819 1.1898 1.1915 1.8503 1.8509 2.6731 2.6735 2.7034 2.7037 3.1899 3.1914 3.4079 3.4094 6.8967 6.9055 8.7280 8.7290 9.3733 9.3867 k =-0.0077 0.0074 0.0107 ( 2915 PWs) bands (ev): -14.7950 -14.7950 -13.2054 -13.2052 -13.2002 -13.2002 -12.7584 -12.7583 -5.5303 -5.5303 -1.3808 -1.3709 -1.3093 -1.3090 -1.0359 -1.0262 -0.0301 -0.0295 0.7580 0.7589 1.1790 1.1799 1.1823 1.1830 1.8481 1.8484 2.6860 2.6864 2.7075 2.7082 3.1913 3.1921 3.3934 3.3942 6.8991 6.9035 8.7291 8.7296 9.3749 9.3815 k = 0.0000 0.0000 0.0000 ( 2909 PWs) bands (ev): -14.7956 -14.7956 -13.2051 -13.2051 -13.1999 -13.1999 -12.7580 -12.7580 -5.5295 -5.5295 -1.3748 -1.3748 -1.3080 -1.3080 -1.0340 -1.0340 -0.0302 -0.0302 0.7600 0.7600 1.1783 1.1783 1.1804 1.1804 1.8475 1.8475 2.6895 2.6895 2.7105 2.7105 3.1921 3.1921 3.3887 3.3887 6.9014 6.9014 8.7296 8.7296 9.3776 9.3776 k = 0.0000 0.0000 0.0000 ( 2909 PWs) bands (ev): -14.7956 -14.7956 -13.2051 -13.2051 -13.1999 -13.1999 -12.7580 -12.7580 -5.5295 -5.5295 -1.3748 -1.3748 -1.3080 -1.3080 -1.0340 -1.0340 -0.0302 -0.0302 0.7600 0.7600 1.1783 1.1783 1.1804 1.1804 1.8475 1.8475 2.6895 2.6895 2.7105 2.7105 3.1921 3.1921 3.3887 3.3887 6.9014 6.9014 8.7296 8.7296 9.3776 9.3776 k = 0.0104 0.0109-0.0000 ( 2909 PWs) bands (ev): -14.7950 -14.7950 -13.2053 -13.2053 -13.2001 -13.2001 -12.7583 -12.7583 -5.5313 -5.5313 -1.3737 -1.3737 -1.3069 -1.3069 -1.0312 -1.0312 -0.0350 -0.0350 0.7645 0.7645 1.1790 1.1790 1.1812 1.1812 1.8463 1.8463 2.6891 2.6891 2.7101 2.7101 3.1787 3.1787 3.4007 3.4007 6.9024 6.9024 8.7317 8.7317 9.3751 9.3751 k = 0.0208 0.0217-0.0000 ( 2909 PWs) bands (ev): -14.7931 -14.7931 -13.2059 -13.2059 -13.2007 -13.2007 -12.7594 -12.7594 -5.5367 -5.5367 -1.3701 -1.3701 -1.3035 -1.3035 -1.0227 -1.0227 -0.0489 -0.0489 0.7776 0.7776 1.1812 1.1812 1.1834 1.1834 1.8430 1.8430 2.6880 2.6880 2.7089 2.7090 3.1454 3.1454 3.4301 3.4301 6.9053 6.9053 8.7379 8.7379 9.3678 9.3678 k = 0.0312 0.0326-0.0000 ( 2913 PWs) bands (ev): -14.7901 -14.7901 -13.2068 -13.2068 -13.2017 -13.2017 -12.7613 -12.7613 -5.5458 -5.5458 -1.3643 -1.3643 -1.2978 -1.2978 -1.0087 -1.0087 -0.0710 -0.0710 0.7984 0.7984 1.1848 1.1848 1.1870 1.1870 1.8375 1.8375 2.6862 2.6862 2.7071 2.7071 3.1016 3.1016 3.4674 3.4674 6.9102 6.9102 8.7481 8.7481 9.3557 9.3557 k = 0.0417 0.0435-0.0000 ( 2909 PWs) bands (ev): -14.7858 -14.7858 -13.2082 -13.2082 -13.2030 -13.2030 -12.7638 -12.7638 -5.5583 -5.5583 -1.3562 -1.3562 -1.2899 -1.2899 -0.9891 -0.9891 -0.1001 -0.1001 0.8255 0.8255 1.1898 1.1898 1.1921 1.1921 1.8300 1.8300 2.6837 2.6837 2.7045 2.7045 3.0522 3.0522 3.5078 3.5078 6.9169 6.9169 8.7625 8.7625 9.3389 9.3389 k = 0.0521 0.0544-0.0000 ( 2925 PWs) bands (ev): -14.7803 -14.7803 -13.2099 -13.2099 -13.2047 -13.2047 -12.7671 -12.7671 -5.5741 -5.5741 -1.3458 -1.3458 -1.2798 -1.2798 -0.9643 -0.9643 -0.1347 -0.1347 0.8575 0.8575 1.1962 1.1962 1.1986 1.1986 1.8206 1.8206 2.6804 2.6804 2.7011 2.7011 2.9996 2.9996 3.5489 3.5490 6.9252 6.9252 8.7809 8.7809 9.3173 9.3173 k = 0.0625 0.0652-0.0000 ( 2925 PWs) bands (ev): -14.7736 -14.7736 -13.2119 -13.2119 -13.2068 -13.2068 -12.7712 -12.7712 -5.5932 -5.5932 -1.3331 -1.3331 -1.2675 -1.2675 -0.9343 -0.9343 -0.1737 -0.1737 0.8930 0.8930 1.2040 1.2040 1.2065 1.2065 1.8098 1.8098 2.6765 2.6765 2.6970 2.6970 2.9448 2.9448 3.5899 3.5899 6.9351 6.9351 8.8032 8.8032 9.2913 9.2913 k = 0.0729 0.0761-0.0000 ( 2925 PWs) bands (ev): -14.7657 -14.7657 -13.2144 -13.2144 -13.2092 -13.2092 -12.7760 -12.7760 -5.6152 -5.6152 -1.3183 -1.3183 -1.2529 -1.2529 -0.8995 -0.8995 -0.2159 -0.2159 0.9307 0.9307 1.2130 1.2131 1.2158 1.2158 1.7978 1.7978 2.6719 2.6719 2.6923 2.6923 2.8884 2.8884 3.6302 3.6302 6.9462 6.9462 8.8294 8.8294 9.2608 9.2608 k = 0.0833 0.0870-0.0000 ( 2925 PWs) bands (ev): -14.7566 -14.7566 -13.2171 -13.2171 -13.2120 -13.2120 -12.7816 -12.7816 -5.6400 -5.6400 -1.3013 -1.3012 -1.2363 -1.2363 -0.8601 -0.8601 -0.2603 -0.2603 0.9695 0.9695 1.2234 1.2234 1.2263 1.2263 1.7850 1.7850 2.6666 2.6666 2.6869 2.6869 2.8308 2.8308 3.6696 3.6696 6.9585 6.9585 8.8594 8.8594 9.2261 9.2261 k = 0.0938 0.0978-0.0000 ( 2933 PWs) bands (ev): -14.7463 -14.7463 -13.2202 -13.2202 -13.2151 -13.2151 -12.7879 -12.7879 -5.6674 -5.6674 -1.2821 -1.2821 -1.2175 -1.2175 -0.8165 -0.8165 -0.3062 -0.3062 1.0082 1.0082 1.2350 1.2350 1.2381 1.2381 1.7720 1.7720 2.6606 2.6606 2.6809 2.6809 2.7724 2.7724 3.7079 3.7079 6.9716 6.9716 8.8930 8.8930 9.1873 9.1873 k = 0.1042 0.1087-0.0000 ( 2933 PWs) bands (ev): -14.7349 -14.7349 -13.2236 -13.2236 -13.2185 -13.2185 -12.7950 -12.7950 -5.6971 -5.6971 -1.2609 -1.2609 -1.1967 -1.1967 -0.7694 -0.7694 -0.3526 -0.3526 1.0459 1.0459 1.2477 1.2477 1.2510 1.2510 1.7594 1.7594 2.6536 2.6536 2.6744 2.6744 2.7138 2.7138 3.7450 3.7450 6.9853 6.9853 8.9300 8.9300 9.1447 9.1447 k = 0.1146 0.1196-0.0000 ( 2953 PWs) bands (ev): -14.7223 -14.7223 -13.2273 -13.2273 -13.2223 -13.2223 -12.8029 -12.8029 -5.7289 -5.7289 -1.2378 -1.2378 -1.1739 -1.1739 -0.7198 -0.7198 -0.3984 -0.3984 1.0816 1.0816 1.2615 1.2615 1.2651 1.2651 1.7480 1.7480 2.6402 2.6402 2.6602 2.6603 2.6675 2.6675 3.7809 3.7809 6.9993 6.9993 8.9702 8.9702 9.0988 9.0988 k = 0.1250 0.1305-0.0000 ( 2953 PWs) bands (ev): -14.7085 -14.7085 -13.2313 -13.2313 -13.2263 -13.2262 -12.8116 -12.8116 -5.7625 -5.7625 -1.2126 -1.2126 -1.1491 -1.1491 -0.6699 -0.6699 -0.4411 -0.4411 1.1140 1.1141 1.2762 1.2763 1.2801 1.2801 1.7386 1.7386 2.5898 2.5898 2.6433 2.6434 2.6598 2.6599 3.8156 3.8156 7.0134 7.0134 9.0103 9.0103 9.0528 9.0528 k = 0.1354 0.1413-0.0000 ( 2953 PWs) bands (ev): -14.6936 -14.6936 -13.2356 -13.2356 -13.2305 -13.2305 -12.8210 -12.8210 -5.7978 -5.7978 -1.1856 -1.1856 -1.1224 -1.1224 -0.6271 -0.6271 -0.4735 -0.4735 1.1423 1.1423 1.2919 1.2919 1.2960 1.2960 1.7323 1.7323 2.5302 2.5302 2.6349 2.6349 2.6520 2.6520 3.8491 3.8491 7.0272 7.0272 8.9909 8.9909 9.0662 9.0662 k = 0.1458 0.1522-0.0000 ( 2945 PWs) bands (ev): -14.6776 -14.6776 -13.2401 -13.2401 -13.2350 -13.2350 -12.8313 -12.8313 -5.8344 -5.8344 -1.1567 -1.1567 -1.0939 -1.0939 -0.6133 -0.6133 -0.4738 -0.4738 1.1651 1.1651 1.3083 1.3083 1.3127 1.3127 1.7300 1.7300 2.4701 2.4701 2.6269 2.6269 2.6438 2.6438 3.8814 3.8814 7.0405 7.0405 8.9362 8.9362 9.0988 9.0988 k = 0.1562 0.1631-0.0000 ( 2938 PWs) bands (ev): -14.6605 -14.6605 -13.2448 -13.2448 -13.2397 -13.2397 -12.8424 -12.8424 -5.8721 -5.8721 -1.1261 -1.1261 -1.0636 -1.0636 -0.6376 -0.6376 -0.4329 -0.4329 1.1818 1.1818 1.3253 1.3253 1.3300 1.3301 1.7323 1.7323 2.4101 2.4101 2.6189 2.6189 2.6354 2.6355 3.9125 3.9125 7.0530 7.0530 8.8775 8.8775 9.0385 9.0385 k = 0.1667 0.1739-0.0000 ( 2946 PWs) bands (ev): -14.6424 -14.6424 -13.2497 -13.2497 -13.2447 -13.2447 -12.8543 -12.8543 -5.9107 -5.9107 -1.0938 -1.0938 -1.0317 -1.0317 -0.6774 -0.6774 -0.3736 -0.3736 1.1918 1.1918 1.3428 1.3428 1.3478 1.3479 1.7398 1.7398 2.3507 2.3507 2.6108 2.6109 2.6270 2.6270 3.9425 3.9425 7.0644 7.0644 8.8159 8.8160 8.9748 8.9748 k = 0.1771 0.1848-0.0000 ( 2938 PWs) bands (ev): -14.6231 -14.6231 -13.2548 -13.2548 -13.2498 -13.2498 -12.8671 -12.8671 -5.9499 -5.9499 -1.0599 -1.0599 -0.9981 -0.9981 -0.7217 -0.7217 -0.3070 -0.3070 1.1951 1.1951 1.3606 1.3606 1.3659 1.3660 1.7521 1.7521 2.2923 2.2923 2.6029 2.6030 2.6186 2.6186 3.9714 3.9714 7.0746 7.0746 8.7520 8.7520 8.9088 8.9088 k = 0.1875 0.1957-0.0000 ( 2926 PWs) bands (ev): -14.6029 -14.6029 -13.2600 -13.2600 -13.2550 -13.2550 -12.8807 -12.8807 -5.9897 -5.9897 -1.0244 -1.0244 -0.9630 -0.9630 -0.7671 -0.7671 -0.2367 -0.2367 1.1922 1.1922 1.3785 1.3785 1.3841 1.3842 1.7683 1.7683 2.2355 2.2355 2.5953 2.5953 2.6104 2.6105 3.9993 3.9993 7.0833 7.0833 8.6859 8.6859 8.8406 8.8406 k = 0.1979 0.2066-0.0000 ( 2926 PWs) bands (ev): -14.5816 -14.5816 -13.2654 -13.2654 -13.2604 -13.2604 -12.8951 -12.8951 -6.0297 -6.0297 -0.9876 -0.9876 -0.9265 -0.9265 -0.8127 -0.8127 -0.1638 -0.1638 1.1840 1.1840 1.3963 1.3964 1.4023 1.4023 1.7868 1.7868 2.1814 2.1814 2.5880 2.5881 2.6026 2.6026 4.0262 4.0262 7.0902 7.0902 8.6180 8.6180 8.7706 8.7706 k = 0.2083 0.2174-0.0000 ( 2934 PWs) bands (ev): -14.5594 -14.5594 -13.2709 -13.2709 -13.2659 -13.2659 -12.9104 -12.9104 -6.0697 -6.0697 -0.9494 -0.9494 -0.8887 -0.8887 -0.8576 -0.8576 -0.0893 -0.0893 1.1714 1.1715 1.4138 1.4138 1.4201 1.4201 1.8048 1.8048 2.1318 2.1318 2.5813 2.5814 2.5953 2.5954 4.0520 4.0520 7.0952 7.0952 8.5485 8.5485 8.6990 8.6990 k = 0.2188 0.2283-0.0000 ( 2930 PWs) bands (ev): -14.5362 -14.5362 -13.2765 -13.2765 -13.2715 -13.2715 -12.9265 -12.9265 -6.1097 -6.1097 -0.9102 -0.9102 -0.9021 -0.9021 -0.8492 -0.8492 -0.0135 -0.0135 1.1557 1.1557 1.4307 1.4308 1.4373 1.4373 1.8185 1.8185 2.0898 2.0898 2.5754 2.5754 2.5888 2.5888 4.0770 4.0770 7.0982 7.0982 8.4777 8.4777 8.6260 8.6260 k = 0.2292 0.2392-0.0000 ( 2934 PWs) bands (ev): -14.5120 -14.5120 -13.2821 -13.2821 -13.2772 -13.2772 -12.9435 -12.9435 -6.1494 -6.1494 -0.9459 -0.9459 -0.8692 -0.8692 -0.8090 -0.8090 0.0630 0.0630 1.1376 1.1376 1.4468 1.4468 1.4537 1.4537 1.8217 1.8217 2.0609 2.0609 2.5704 2.5704 2.5831 2.5832 4.1011 4.1011 7.0990 7.0990 8.4059 8.4059 8.5520 8.5520 k = 0.2396 0.2500-0.0000 ( 2934 PWs) bands (ev): -14.4870 -14.4870 -13.2878 -13.2878 -13.2829 -13.2829 -12.9614 -12.9614 -6.1886 -6.1886 -0.9884 -0.9884 -0.8276 -0.8276 -0.7676 -0.7676 0.1398 0.1398 1.1181 1.1181 1.4618 1.4618 1.4689 1.4690 1.8088 1.8088 2.0501 2.0501 2.5666 2.5666 2.5787 2.5787 4.1243 4.1243 7.0975 7.0975 8.3332 8.3332 8.4772 8.4772 k = 0.2500 0.2609-0.0000 ( 2926 PWs) bands (ev): -14.4611 -14.4611 -13.2935 -13.2935 -13.2886 -13.2885 -12.9801 -12.9801 -6.2273 -6.2273 -1.0297 -1.0297 -0.7850 -0.7850 -0.7253 -0.7253 0.2166 0.2166 1.0978 1.0978 1.4754 1.4754 1.4828 1.4828 1.7801 1.7801 2.0567 2.0567 2.5642 2.5642 2.5756 2.5756 4.1468 4.1468 7.0937 7.0937 8.2601 8.2601 8.4018 8.4018 k = 0.2604 0.2718-0.0000 ( 2934 PWs) bands (ev): -14.4344 -14.4344 -13.2991 -13.2991 -13.2942 -13.2942 -12.9997 -12.9997 -6.2652 -6.2652 -1.0698 -1.0698 -0.7416 -0.7416 -0.6822 -0.6822 0.2928 0.2928 1.0773 1.0773 1.4873 1.4873 1.4949 1.4950 1.7410 1.7410 2.0751 2.0751 2.5633 2.5634 2.5741 2.5741 4.1685 4.1685 7.0876 7.0876 8.1866 8.1867 8.3262 8.3262 k = 0.2708 0.2826-0.0000 ( 2934 PWs) bands (ev): -14.4069 -14.4069 -13.3048 -13.3048 -13.2999 -13.2999 -13.0202 -13.0202 -6.3024 -6.3024 -1.1086 -1.1086 -0.6975 -0.6975 -0.6384 -0.6384 0.3680 0.3680 1.0573 1.0573 1.4973 1.4973 1.5051 1.5051 1.6965 1.6965 2.0998 2.0998 2.5642 2.5643 2.5743 2.5744 4.1895 4.1895 7.0791 7.0791 8.1133 8.1133 8.2506 8.2506 k = 0.2812 0.2935-0.0000 ( 2934 PWs) bands (ev): -14.3786 -14.3786 -13.3104 -13.3103 -13.3055 -13.3055 -13.0415 -13.0415 -6.3385 -6.3385 -1.1461 -1.1461 -0.6529 -0.6529 -0.5940 -0.5940 0.4415 0.4415 1.0384 1.0384 1.5051 1.5051 1.5130 1.5131 1.6499 1.6499 2.1277 2.1277 2.5671 2.5671 2.5765 2.5766 4.2098 4.2098 7.0683 7.0683 8.0402 8.0402 8.1753 8.1753 k = 0.2917 0.3044-0.0000 ( 2938 PWs) bands (ev): -14.3496 -14.3496 -13.3158 -13.3158 -13.3110 -13.3110 -13.0636 -13.0636 -6.3736 -6.3736 -1.1821 -1.1821 -0.6079 -0.6079 -0.5492 -0.5492 0.5124 0.5124 1.0212 1.0212 1.5105 1.5106 1.5184 1.5185 1.6030 1.6030 2.1569 2.1569 2.5719 2.5720 2.5808 2.5809 4.2295 4.2295 7.0552 7.0552 7.9676 7.9676 8.1006 8.1006 k = 0.3021 0.3153-0.0000 ( 2914 PWs) bands (ev): -14.3199 -14.3199 -13.3212 -13.3212 -13.3163 -13.3163 -13.0866 -13.0866 -6.4075 -6.4075 -1.2166 -1.2166 -0.5626 -0.5626 -0.5041 -0.5041 0.5799 0.5799 1.0066 1.0066 1.5131 1.5132 1.5209 1.5209 1.5575 1.5575 2.1866 2.1866 2.5789 2.5790 2.5872 2.5873 4.2485 4.2485 7.0400 7.0400 7.8960 7.8960 8.0267 8.0267 k = 0.3125 0.3261-0.0000 ( 2910 PWs) bands (ev): -14.2896 -14.2896 -13.3265 -13.3265 -13.3216 -13.3216 -13.1104 -13.1104 -6.4402 -6.4402 -1.2496 -1.2496 -0.5173 -0.5173 -0.4588 -0.4588 0.6421 0.6421 0.9960 0.9960 1.5046 1.5046 1.5166 1.5166 1.5261 1.5261 2.2159 2.2159 2.5880 2.5881 2.5957 2.5958 4.2670 4.2670 7.0229 7.0229 7.8254 7.8255 7.9539 7.9539 k = 0.3229 0.3370-0.0000 ( 2910 PWs) bands (ev): -14.2587 -14.2587 -13.3316 -13.3316 -13.3267 -13.3267 -13.1349 -13.1349 -6.4715 -6.4715 -1.2810 -1.2810 -0.4720 -0.4720 -0.4137 -0.4136 0.6969 0.6969 0.9911 0.9911 1.4655 1.4655 1.5131 1.5131 1.5212 1.5213 2.2446 2.2446 2.5991 2.5992 2.6063 2.6064 4.2849 4.2849 7.0039 7.0039 7.7563 7.7563 7.8826 7.8826 k = 0.3333 0.3479-0.0000 ( 2914 PWs) bands (ev): -14.2272 -14.2272 -13.3365 -13.3365 -13.3316 -13.3316 -13.1603 -13.1603 -6.5014 -6.5014 -1.3109 -1.3109 -0.4270 -0.4270 -0.3687 -0.3687 0.7412 0.7412 0.9941 0.9941 1.4259 1.4259 1.5083 1.5084 1.5161 1.5162 2.2724 2.2724 2.6121 2.6122 2.6188 2.6189 4.3021 4.3021 6.9834 6.9834 7.6889 7.6890 7.8129 7.8129 k = 0.3438 0.3587-0.0000 ( 2906 PWs) bands (ev): -14.1953 -14.1953 -13.3412 -13.3412 -13.3364 -13.3364 -13.1864 -13.1864 -6.5298 -6.5298 -1.3390 -1.3390 -0.3824 -0.3824 -0.3241 -0.3241 0.7723 0.7723 1.0067 1.0067 1.3900 1.3900 1.5014 1.5015 1.5088 1.5088 2.2990 2.2990 2.6268 2.6269 2.6330 2.6331 4.3188 4.3188 6.9616 6.9616 7.6236 7.6236 7.7453 7.7453 k = 0.3542 0.3696-0.0000 ( 2906 PWs) bands (ev): -14.1628 -14.1628 -13.3458 -13.3458 -13.3409 -13.3409 -13.2132 -13.2132 -6.5567 -6.5567 -1.3655 -1.3655 -0.3385 -0.3385 -0.2802 -0.2802 0.7903 0.7903 1.0267 1.0267 1.3600 1.3600 1.4924 1.4925 1.4992 1.4993 2.3243 2.3243 2.6430 2.6431 2.6486 2.6487 4.3349 4.3349 6.9387 6.9387 7.5605 7.5605 7.6801 7.6801 k = 0.3646 0.3805-0.0000 ( 2898 PWs) bands (ev): -14.1300 -14.1300 -13.3501 -13.3501 -13.3452 -13.3452 -13.2407 -13.2407 -6.5819 -6.5819 -1.3903 -1.3903 -0.2955 -0.2955 -0.2372 -0.2371 0.7985 0.7985 1.0480 1.0480 1.3389 1.3389 1.4815 1.4816 1.4878 1.4879 2.3482 2.3482 2.6602 2.6603 2.6654 2.6655 4.3503 4.3503 6.9150 6.9150 7.5001 7.5001 7.6174 7.6174 k = 0.3750 0.3914-0.0000 ( 2910 PWs) bands (ev): -14.0969 -14.0969 -13.3541 -13.3541 -13.3493 -13.3493 -13.2689 -13.2689 -6.6055 -6.6055 -1.4134 -1.4134 -0.2537 -0.2537 -0.1952 -0.1952 0.8008 0.8008 1.0626 1.0626 1.3304 1.3304 1.4690 1.4691 1.4747 1.4748 2.3706 2.3706 2.6782 2.6783 2.6829 2.6830 4.3651 4.3651 6.8909 6.8910 7.4426 7.4426 7.5577 7.5577 k = 0.3854 0.4022-0.0000 ( 2918 PWs) bands (ev): -14.0635 -14.0635 -13.3580 -13.3580 -13.3531 -13.3531 -13.2976 -13.2976 -6.6273 -6.6273 -1.4347 -1.4347 -0.2133 -0.2133 -0.1546 -0.1546 0.8004 0.8004 1.0654 1.0654 1.3364 1.3364 1.4554 1.4555 1.4604 1.4605 2.3913 2.3913 2.6966 2.6967 2.7009 2.7010 4.3791 4.3791 6.8668 6.8668 7.3883 7.3883 7.5013 7.5013 k = 0.3958 0.4131-0.0000 ( 2922 PWs) bands (ev): -14.0300 -14.0300 -13.3615 -13.3615 -13.3566 -13.3566 -13.3268 -13.3268 -6.6474 -6.6474 -1.4542 -1.4542 -0.1747 -0.1747 -0.1157 -0.1157 0.7990 0.7990 1.0564 1.0564 1.3547 1.3547 1.4411 1.4412 1.4452 1.4453 2.4105 2.4105 2.7151 2.7152 2.7190 2.7191 4.3924 4.3924 6.8430 6.8430 7.3375 7.3375 7.4484 7.4485 k = 0.4062 0.4240-0.0000 ( 2922 PWs) bands (ev): -13.9963 -13.9963 -13.3653 -13.3653 -13.3598 -13.3598 -13.3560 -13.3559 -6.6656 -6.6656 -1.4719 -1.4719 -0.1381 -0.1381 -0.0787 -0.0787 0.7978 0.7978 1.0393 1.0393 1.3792 1.3792 1.4270 1.4271 1.4304 1.4304 2.4279 2.4279 2.7332 2.7333 2.7367 2.7368 4.4048 4.4048 6.8198 6.8198 7.2905 7.2905 7.3995 7.3995 k = 0.4167 0.4348-0.0000 ( 2938 PWs) bands (ev): -13.9627 -13.9627 -13.3871 -13.3871 -13.3672 -13.3672 -13.3627 -13.3627 -6.6821 -6.6821 -1.4878 -1.4878 -0.1038 -0.1038 -0.0441 -0.0441 0.7974 0.7974 1.0180 1.0180 1.3960 1.3961 1.4126 1.4127 1.4264 1.4264 2.4435 2.4435 2.7506 2.7507 2.7537 2.7539 4.4162 4.4162 6.7977 6.7977 7.2476 7.2476 7.3547 7.3547 k = 0.4271 0.4457-0.0000 ( 2938 PWs) bands (ev): -13.9293 -13.9293 -13.4172 -13.4172 -13.3699 -13.3699 -13.3653 -13.3653 -6.6966 -6.6966 -1.5019 -1.5019 -0.0724 -0.0724 -0.0123 -0.0122 0.7982 0.7982 0.9948 0.9948 1.3887 1.3888 1.3975 1.3976 1.4480 1.4480 2.4574 2.4574 2.7670 2.7671 2.7697 2.7699 4.4267 4.4267 6.7771 6.7771 7.2091 7.2091 7.3144 7.3144 k = 0.4375 0.4566-0.0000 ( 2938 PWs) bands (ev): -13.8962 -13.8962 -13.4474 -13.4474 -13.3723 -13.3723 -13.3676 -13.3676 -6.7093 -6.7093 -1.5141 -1.5141 -0.0440 -0.0440 0.0165 0.0165 0.8004 0.8004 0.9713 0.9713 1.3756 1.3757 1.3831 1.3832 1.4745 1.4745 2.4695 2.4695 2.7819 2.7820 2.7843 2.7845 4.4360 4.4360 6.7583 6.7583 7.1752 7.1752 7.2789 7.2789 k = 0.4479 0.4675-0.0000 ( 2938 PWs) bands (ev): -13.8639 -13.8639 -13.4774 -13.4774 -13.3742 -13.3742 -13.3695 -13.3695 -6.7201 -6.7201 -1.5244 -1.5244 -0.0192 -0.0192 0.0418 0.0418 0.8043 0.8043 0.9484 0.9484 1.3628 1.3628 1.3700 1.3701 1.4990 1.4990 2.4797 2.4797 2.7951 2.7952 2.7973 2.7974 4.4441 4.4441 6.7417 6.7417 7.1460 7.1460 7.2483 7.2483 k = 0.4583 0.4783-0.0000 ( 2926 PWs) bands (ev): -13.8327 -13.8327 -13.5066 -13.5066 -13.3758 -13.3758 -13.3711 -13.3711 -6.7289 -6.7289 -1.5329 -1.5329 0.0018 0.0018 0.0631 0.0631 0.8100 0.8100 0.9267 0.9267 1.3512 1.3513 1.3586 1.3587 1.5201 1.5201 2.4882 2.4882 2.8063 2.8064 2.8082 2.8083 4.4508 4.4508 6.7277 6.7277 7.1219 7.1219 7.2230 7.2230 k = 0.4688 0.4892-0.0000 ( 2926 PWs) bands (ev): -13.8037 -13.8037 -13.5341 -13.5341 -13.3771 -13.3771 -13.3724 -13.3724 -6.7358 -6.7358 -1.5395 -1.5395 0.0185 0.0185 0.0802 0.0802 0.8173 0.8173 0.9065 0.9065 1.3417 1.3418 1.3493 1.3493 1.5370 1.5370 2.4947 2.4947 2.8153 2.8154 2.8170 2.8171 4.4562 4.4562 6.7164 6.7164 7.1030 7.1030 7.2031 7.2031 k = 0.4792 0.5001-0.0000 ( 2926 PWs) bands (ev): -13.7785 -13.7785 -13.5583 -13.5583 -13.3780 -13.3780 -13.3733 -13.3733 -6.7407 -6.7407 -1.5442 -1.5442 0.0306 0.0306 0.0927 0.0927 0.8262 0.8262 0.8882 0.8882 1.3346 1.3346 1.3423 1.3424 1.5493 1.5493 2.4994 2.4994 2.8219 2.8219 2.8234 2.8235 4.4601 4.4601 6.7082 6.7082 7.0894 7.0894 7.1888 7.1888 k = 0.4896 0.5109-0.0000 ( 2926 PWs) bands (ev): -13.7601 -13.7601 -13.5760 -13.5760 -13.3785 -13.3785 -13.3738 -13.3738 -6.7437 -6.7437 -1.5471 -1.5471 0.0380 0.0380 0.1003 0.1003 0.8360 0.8360 0.8728 0.8728 1.3302 1.3302 1.3381 1.3381 1.5568 1.5568 2.5022 2.5022 2.8259 2.8259 2.8273 2.8273 4.4624 4.4624 6.7032 6.7032 7.0811 7.0811 7.1801 7.1801 k = 0.5000 0.5218-0.0000 ( 2930 PWs) bands (ev): -13.7531 -13.7531 -13.5827 -13.5827 -13.3787 -13.3787 -13.3740 -13.3740 -6.7447 -6.7447 -1.5480 -1.5480 0.0405 0.0405 0.1028 0.1028 0.8420 0.8420 0.8648 0.8648 1.3287 1.3287 1.3367 1.3367 1.5593 1.5593 2.5031 2.5031 2.8273 2.8273 2.8286 2.8286 4.4632 4.4632 6.7015 6.7015 7.0784 7.0784 7.1772 7.1772 k = 0.5000 0.5218-0.0000 ( 2930 PWs) bands (ev): -13.7531 -13.7531 -13.5827 -13.5827 -13.3787 -13.3787 -13.3740 -13.3740 -6.7447 -6.7447 -1.5480 -1.5480 0.0405 0.0405 0.1028 0.1028 0.8420 0.8420 0.8648 0.8648 1.3287 1.3287 1.3367 1.3367 1.5593 1.5593 2.5031 2.5031 2.8273 2.8273 2.8286 2.8286 4.4632 4.4632 6.7015 6.7015 7.0784 7.0784 7.1772 7.1772 k = 0.4924 0.5291 0.0105 ( 2934 PWs) bands (ev): -13.7532 -13.7532 -13.5828 -13.5825 -13.3789 -13.3786 -13.3740 -13.3739 -6.7439 -6.7439 -1.5479 -1.5476 0.0352 0.0405 0.0996 0.1005 0.8388 0.8403 0.8670 0.8687 1.3274 1.3321 1.3394 1.3400 1.5576 1.5600 2.5019 2.5025 2.8269 2.8272 2.8286 2.8293 4.4628 4.4633 6.6867 6.7132 7.0666 7.0941 7.1801 7.1809 k = 0.4848 0.5364 0.0210 ( 2928 PWs) bands (ev): -13.7535 -13.7534 -13.5828 -13.5822 -13.3796 -13.3791 -13.3738 -13.3735 -6.7416 -6.7415 -1.5471 -1.5466 0.0242 0.0352 0.0911 0.0933 0.8295 0.8323 0.8767 0.8793 1.3252 1.3324 1.3513 1.3541 1.5550 1.5596 2.4990 2.5001 2.8254 2.8259 2.8301 2.8313 4.4621 4.4630 6.6696 6.7207 7.0605 7.1111 7.1887 7.1927 k = 0.4772 0.5436 0.0315 ( 2928 PWs) bands (ev): -13.7539 -13.7537 -13.5827 -13.5817 -13.3813 -13.3805 -13.3727 -13.3722 -6.7377 -6.7377 -1.5459 -1.5451 0.0073 0.0243 0.0784 0.0828 0.8141 0.8185 0.8934 0.8970 1.3209 1.3305 1.3717 1.3774 1.5517 1.5581 2.4942 2.4959 2.8227 2.8233 2.8330 2.8348 4.4610 4.4624 6.6513 6.7233 7.0612 7.1271 7.2024 7.2138 k = 0.4696 0.5509 0.0421 ( 2934 PWs) bands (ev): -13.7545 -13.7543 -13.5825 -13.5812 -13.3840 -13.3830 -13.3707 -13.3699 -6.7323 -6.7323 -1.5441 -1.5430 -0.0154 0.0072 0.0632 0.0701 0.7943 0.8001 0.9156 0.9197 1.3153 1.3276 1.3988 1.4073 1.5479 1.5556 2.4880 2.4901 2.8189 2.8197 2.8372 2.8395 4.4595 4.4614 6.6325 6.7213 7.0685 7.1419 7.2213 7.2437 k = 0.4620 0.5582 0.0526 ( 2934 PWs) bands (ev): -13.7555 -13.7553 -13.5821 -13.5805 -13.3875 -13.3863 -13.3678 -13.3667 -6.7254 -6.7254 -1.5420 -1.5405 -0.0431 -0.0158 0.0469 0.0560 0.7716 0.7783 0.9418 0.9455 1.3090 1.3243 1.4300 1.4421 1.5445 1.5527 2.4803 2.4830 2.8141 2.8151 2.8427 2.8454 4.4576 4.4600 6.6138 6.7152 7.0815 7.1566 7.2454 7.2806 k = 0.4545 0.5654 0.0631 ( 2934 PWs) bands (ev): -13.7568 -13.7566 -13.5816 -13.5797 -13.3915 -13.3902 -13.3642 -13.3629 -6.7171 -6.7171 -1.5395 -1.5377 -0.0745 -0.0439 0.0301 0.0408 0.7468 0.7541 0.9699 0.9725 1.3026 1.3211 1.4608 1.4796 1.5434 1.5513 2.4714 2.4746 2.8083 2.8094 2.8494 2.8524 4.4554 4.4581 6.5954 6.7063 7.0990 7.1723 7.2745 7.3227 k = 0.4469 0.5727 0.0736 ( 2928 PWs) bands (ev): -13.7587 -13.7584 -13.5810 -13.5788 -13.3961 -13.3945 -13.3599 -13.3583 -6.7073 -6.7073 -1.5368 -1.5346 -0.1085 -0.0755 0.0128 0.0246 0.7208 0.7284 0.9973 0.9990 1.2973 1.3193 1.4824 1.5110 1.5506 1.5613 2.4616 2.4653 2.8014 2.8028 2.8572 2.8606 4.4527 4.4559 6.5777 6.6954 7.1200 7.1897 7.3085 7.3689 k = 0.4393 0.5800 0.0841 ( 2928 PWs) bands (ev): -13.7612 -13.7609 -13.5802 -13.5777 -13.4009 -13.3991 -13.3549 -13.3531 -6.6961 -6.6961 -1.5341 -1.5315 -0.1441 -0.1094 -0.0051 0.0076 0.6939 0.7015 1.0205 1.0241 1.2942 1.3201 1.4879 1.5171 1.5825 1.5908 2.4511 2.4553 2.7937 2.7952 2.8661 2.8699 4.4496 4.4531 6.5608 6.6834 7.1436 7.2090 7.3472 7.4185 k = 0.4317 0.5873 0.0946 ( 2930 PWs) bands (ev): -13.7646 -13.7643 -13.5792 -13.5765 -13.4057 -13.4038 -13.3492 -13.3472 -6.6836 -6.6836 -1.5315 -1.5283 -0.1804 -0.1444 -0.0236 -0.0099 0.6665 0.6740 1.0376 1.0444 1.2952 1.3251 1.4834 1.5104 1.6271 1.6320 2.4401 2.4449 2.7850 2.7868 2.8761 2.8801 4.4460 4.4499 6.5448 6.6710 7.1692 7.2303 7.3902 7.4710 k = 0.4241 0.5945 0.1051 ( 2928 PWs) bands (ev): -13.7690 -13.7687 -13.5779 -13.5750 -13.4105 -13.4084 -13.3429 -13.3407 -6.6698 -6.6698 -1.5292 -1.5253 -0.2167 -0.1797 -0.0423 -0.0278 0.6388 0.6460 1.0474 1.0572 1.3016 1.3351 1.4752 1.5002 1.6747 1.6784 2.4290 2.4343 2.7755 2.7774 2.8871 2.8913 4.4419 4.4461 6.5298 6.6586 7.1965 7.2537 7.4368 7.5259 k = 0.4165 0.6018 0.1156 ( 2920 PWs) bands (ev): -13.7746 -13.7743 -13.5764 -13.5732 -13.4150 -13.4127 -13.3360 -13.3336 -6.6547 -6.6547 -1.5273 -1.5227 -0.2525 -0.2148 -0.0610 -0.0458 0.6109 0.6178 1.0490 1.0612 1.3133 1.3502 1.4659 1.4888 1.7237 1.7272 2.4181 2.4239 2.7652 2.7674 2.8990 2.9034 4.4373 4.4418 6.5159 6.6467 7.2254 7.2791 7.4868 7.5831 k = 0.4089 0.6091 0.1262 ( 2928 PWs) bands (ev): -13.7816 -13.7813 -13.5745 -13.5712 -13.4191 -13.4165 -13.3285 -13.3259 -6.6385 -6.6384 -1.5260 -1.5206 -0.2873 -0.2491 -0.0795 -0.0635 0.5829 0.5895 1.0430 1.0567 1.3281 1.3682 1.4580 1.4776 1.7732 1.7771 2.4075 2.4137 2.7542 2.7565 2.9117 2.9163 4.4322 4.4369 6.5030 6.6353 7.2557 7.3064 7.5396 7.6420 k = 0.4013 0.6164 0.1367 ( 2932 PWs) bands (ev): -13.7901 -13.7899 -13.5721 -13.5687 -13.4225 -13.4198 -13.3203 -13.3176 -6.6211 -6.6211 -1.5256 -1.5192 -0.3208 -0.2823 -0.0975 -0.0806 0.5550 0.5612 1.0304 1.0451 1.3409 1.3843 1.4555 1.4700 1.8229 1.8272 2.3975 2.4042 2.7424 2.7450 2.9252 2.9300 4.4266 4.4315 6.4913 6.6248 7.2873 7.3354 7.5947 7.7025 k = 0.3937 0.6236 0.1472 ( 2936 PWs) bands (ev): -13.8004 -13.8001 -13.5692 -13.5657 -13.4252 -13.4223 -13.3117 -13.3088 -6.6027 -6.6026 -1.5261 -1.5187 -0.3529 -0.3142 -0.1146 -0.0968 0.5272 0.5332 1.0125 1.0282 1.3457 1.3903 1.4632 1.4721 1.8723 1.8771 2.3883 2.3955 2.7301 2.7329 2.9394 2.9442 4.4204 4.4256 6.4807 6.6151 7.3203 7.3662 7.6518 7.7643 k = 0.3861 0.6309 0.1577 ( 2932 PWs) bands (ev): -13.8124 -13.8122 -13.5658 -13.5623 -13.4271 -13.4241 -13.3024 -13.2995 -6.5832 -6.5832 -1.5277 -1.5191 -0.3833 -0.3446 -0.1306 -0.1118 0.4997 0.5055 0.9905 1.0072 1.3404 1.3826 1.4810 1.4873 1.9211 1.9262 2.3802 2.3878 2.7173 2.7203 2.9541 2.9590 4.4138 4.4191 6.4712 6.6065 7.3544 7.3985 7.7104 7.8272 k = 0.3861 0.6309 0.1577 ( 2932 PWs) bands (ev): -13.8124 -13.8122 -13.5658 -13.5623 -13.4271 -13.4241 -13.3024 -13.2995 -6.5832 -6.5832 -1.5277 -1.5191 -0.3833 -0.3446 -0.1306 -0.1118 0.4997 0.5055 0.9905 1.0072 1.3404 1.3826 1.4810 1.4873 1.9211 1.9262 2.3802 2.3878 2.7173 2.7203 2.9541 2.9590 4.4138 4.4191 6.4712 6.6065 7.3544 7.3985 7.7104 7.8272 k = 0.3733 0.6266 0.1640 ( 2934 PWs) bands (ev): -13.8220 -13.8217 -13.5635 -13.5600 -13.4265 -13.4234 -13.2965 -13.2934 -6.5706 -6.5706 -1.5288 -1.5195 -0.4016 -0.3630 -0.1411 -0.1216 0.4842 0.4899 0.9771 0.9945 1.3319 1.3720 1.4942 1.5008 1.9501 1.9554 2.3751 2.3829 2.7094 2.7126 2.9626 2.9676 4.4094 4.4147 6.4669 6.6023 7.3759 7.4207 7.7470 7.8662 k = 0.3604 0.6222 0.1703 ( 2934 PWs) bands (ev): -13.8345 -13.8342 -13.5618 -13.5584 -13.4225 -13.4193 -13.2901 -13.2869 -6.5567 -6.5567 -1.5293 -1.5192 -0.4212 -0.3827 -0.1543 -0.1338 0.4705 0.4762 0.9657 0.9836 1.3184 1.3562 1.5085 1.5158 1.9790 1.9848 2.3689 2.3769 2.7018 2.7051 2.9703 2.9753 4.4043 4.4097 6.4642 6.5995 7.3990 7.4475 7.7857 7.9074 k = 0.3475 0.6179 0.1765 ( 2934 PWs) bands (ev): -13.8492 -13.8488 -13.5617 -13.5586 -13.4152 -13.4119 -13.2831 -13.2798 -6.5415 -6.5415 -1.5295 -1.5186 -0.4422 -0.4039 -0.1700 -0.1480 0.4587 0.4643 0.9564 0.9749 1.3008 1.3363 1.5235 1.5314 2.0075 2.0137 2.3617 2.3699 2.6944 2.6978 2.9773 2.9824 4.3988 4.4041 6.4632 6.5979 7.4239 7.4783 7.8262 7.9504 k = 0.3347 0.6135 0.1828 ( 2934 PWs) bands (ev): -13.8652 -13.8647 -13.5635 -13.5607 -13.4049 -13.4016 -13.2755 -13.2721 -6.5251 -6.5251 -1.5293 -1.5174 -0.4649 -0.4269 -0.1875 -0.1641 0.4487 0.4544 0.9495 0.9683 1.2798 1.3129 1.5387 1.5470 2.0350 2.0416 2.3537 2.3620 2.6873 2.6909 2.9837 2.9887 4.3929 4.3983 6.4636 6.5975 7.4507 7.5124 7.8679 7.9947 k = 0.3218 0.6092 0.1891 ( 2932 PWs) bands (ev): -13.8821 -13.8816 -13.5671 -13.5645 -13.3925 -13.3891 -13.2674 -13.2639 -6.5077 -6.5076 -1.5287 -1.5159 -0.4894 -0.4520 -0.2064 -0.1814 0.4408 0.4464 0.9447 0.9640 1.2561 1.2868 1.5539 1.5624 2.0612 2.0682 2.3449 2.3534 2.6807 2.6844 2.9895 2.9945 4.3869 4.3921 6.4655 6.5982 7.4794 7.5491 7.9106 8.0400 k = 0.3089 0.6048 0.1954 ( 2930 PWs) bands (ev): -13.8994 -13.8989 -13.5721 -13.5697 -13.3787 -13.3752 -13.2587 -13.2551 -6.4892 -6.4891 -1.5278 -1.5141 -0.5161 -0.4797 -0.2258 -0.1995 0.4349 0.4404 0.9419 0.9616 1.2306 1.2587 1.5689 1.5775 2.0854 2.0928 2.3356 2.3442 2.6746 2.6783 2.9948 2.9998 4.3807 4.3859 6.4688 6.6001 7.5100 7.5879 7.9539 8.0856 k = 0.2960 0.6005 0.2017 ( 2931 PWs) bands (ev): -13.9169 -13.9164 -13.5780 -13.5759 -13.3642 -13.3607 -13.2493 -13.2457 -6.4698 -6.4697 -1.5267 -1.5119 -0.5452 -0.5103 -0.2451 -0.2177 0.4311 0.4364 0.9406 0.9607 1.2041 1.2292 1.5836 1.5921 2.1073 2.1150 2.3261 2.3346 2.6691 2.6727 2.9996 3.0046 4.3746 4.3797 6.4734 6.6029 7.5424 7.6284 7.9973 8.1313 k = 0.2832 0.5961 0.2080 ( 2935 PWs) bands (ev): -13.9344 -13.9339 -13.5846 -13.5826 -13.3496 -13.3461 -13.2393 -13.2356 -6.4496 -6.4495 -1.5254 -1.5095 -0.5768 -0.5441 -0.2634 -0.2357 0.4293 0.4343 0.9401 0.9610 1.1773 1.1990 1.5980 1.6063 2.1263 2.1342 2.3166 2.3251 2.6641 2.6677 3.0040 3.0088 4.3687 4.3736 6.4793 6.6068 7.5763 7.6702 8.0404 8.1766 k = 0.2703 0.5918 0.2143 ( 2930 PWs) bands (ev): -13.9518 -13.9512 -13.5915 -13.5897 -13.3353 -13.3318 -13.2287 -13.2250 -6.4287 -6.4286 -1.5238 -1.5068 -0.6111 -0.5810 -0.2802 -0.2528 0.4295 0.4342 0.9395 0.9616 1.1514 1.1691 1.6119 1.6201 2.1420 2.1498 2.3077 2.3158 2.6597 2.6633 3.0079 3.0126 4.3630 4.3678 6.4864 6.6115 7.6116 7.7130 8.0828 8.2211 k = 0.2574 0.5874 0.2205 ( 2932 PWs) bands (ev): -13.9688 -13.9682 -13.5987 -13.5971 -13.3216 -13.3182 -13.2174 -13.2139 -6.4072 -6.4071 -1.5221 -1.5038 -0.6480 -0.6209 -0.2953 -0.2688 0.4314 0.4358 0.9377 0.9615 1.1277 1.1409 1.6255 1.6334 2.1538 2.1613 2.2998 2.3073 2.6561 2.6596 3.0112 3.0159 4.3577 4.3623 6.4946 6.6172 7.6479 7.7564 8.1242 8.2643 k = 0.2446 0.5831 0.2268 ( 2934 PWs) bands (ev): -13.9853 -13.9847 -13.6060 -13.6045 -13.3086 -13.3053 -13.2057 -13.2023 -6.3852 -6.3852 -1.5202 -1.5006 -0.6873 -0.6632 -0.3086 -0.2835 0.4350 0.4391 0.9329 0.9592 1.1077 1.1164 1.6386 1.6464 2.1612 2.1682 2.2933 2.2997 2.6533 2.6567 3.0140 3.0186 4.3528 4.3572 6.5039 6.6236 7.6851 7.8002 8.1642 8.3060 k = 0.2317 0.5787 0.2331 ( 2930 PWs) bands (ev): -14.0014 -14.0008 -13.6133 -13.6118 -13.2963 -13.2933 -13.1936 -13.1904 -6.3630 -6.3629 -1.5182 -1.4973 -0.7287 -0.7074 -0.3201 -0.2967 0.4400 0.4438 0.9236 0.9527 1.0918 1.0989 1.6514 1.6589 2.1642 2.1706 2.2883 2.2934 2.6513 2.6547 3.0162 3.0206 4.3484 4.3526 6.5142 6.6308 7.7230 7.8441 8.2025 8.3458 k = 0.2188 0.5744 0.2394 ( 2934 PWs) bands (ev): -14.0169 -14.0163 -13.6204 -13.6191 -13.2849 -13.2821 -13.1812 -13.1783 -6.3405 -6.3405 -1.5160 -1.4937 -0.7718 -0.7528 -0.3299 -0.3086 0.4462 0.4498 0.9093 0.9400 1.0810 1.0902 1.6637 1.6710 2.1627 2.1688 2.2845 2.2883 2.6503 2.6535 3.0177 3.0220 4.3445 4.3485 6.5254 6.6385 7.7611 7.8878 8.2388 8.3833 k = 0.2059 0.5700 0.2457 ( 2933 PWs) bands (ev): -14.0317 -14.0311 -13.6274 -13.6261 -13.2744 -13.2718 -13.1689 -13.1662 -6.3181 -6.3180 -1.5138 -1.4900 -0.8163 -0.7985 -0.3384 -0.3191 0.4534 0.4569 0.8905 0.9213 1.0770 1.0883 1.6756 1.6827 2.1575 2.1638 2.2811 2.2841 2.6502 2.6533 3.0185 3.0226 4.3412 4.3450 6.5375 6.6467 7.7994 7.9310 8.2730 8.4183 k = 0.1931 0.5657 0.2520 ( 2937 PWs) bands (ev): -14.0459 -14.0453 -13.6341 -13.6330 -13.2646 -13.2622 -13.1566 -13.1543 -6.2958 -6.2957 -1.5116 -1.4862 -0.8616 -0.8439 -0.3457 -0.3285 0.4613 0.4648 0.8687 0.8984 1.0787 1.0911 1.6870 1.6939 2.1495 2.1565 2.2772 2.2803 2.6510 2.6540 3.0185 3.0225 4.3384 4.3420 6.5502 6.6553 7.8377 7.9734 8.3047 8.4506 k = 0.1802 0.5613 0.2583 ( 2931 PWs) bands (ev): -14.0593 -14.0587 -13.6405 -13.6395 -13.2555 -13.2534 -13.1447 -13.1426 -6.2737 -6.2737 -1.5094 -1.4824 -0.9072 -0.8885 -0.3520 -0.3369 0.4697 0.4733 0.8456 0.8734 1.0844 1.0970 1.6979 1.7045 2.1399 2.1477 2.2725 2.2761 2.6527 2.6556 3.0178 3.0215 4.3362 4.3395 6.5635 6.6641 7.8756 8.0148 8.3340 8.4800 k = 0.1673 0.5570 0.2645 ( 2927 PWs) bands (ev): -14.0719 -14.0714 -13.6467 -13.6457 -13.2471 -13.2452 -13.1332 -13.1313 -6.2522 -6.2521 -1.5072 -1.4785 -0.9524 -0.9317 -0.3575 -0.3445 0.4784 0.4821 0.8224 0.8480 1.0924 1.1049 1.7082 1.7146 2.1294 2.1381 2.2666 2.2711 2.6552 2.6579 3.0162 3.0197 4.3345 4.3376 6.5773 6.6729 7.9131 8.0548 8.3606 8.5063 k = 0.1545 0.5526 0.2708 ( 2927 PWs) bands (ev): -14.0837 -14.0832 -13.6525 -13.6516 -13.2393 -13.2377 -13.1222 -13.1206 -6.2313 -6.2312 -1.5051 -1.4748 -0.9963 -0.9733 -0.3624 -0.3512 0.4869 0.4910 0.7998 0.8232 1.1019 1.1139 1.7178 1.7240 2.1187 2.1284 2.2597 2.2650 2.6583 2.6610 3.0138 3.0172 4.3332 4.3361 6.5913 6.6817 7.9499 8.0931 8.3847 8.5295 k = 0.1416 0.5483 0.2771 ( 2924 PWs) bands (ev): -14.0947 -14.0942 -13.6579 -13.6571 -13.2322 -13.2308 -13.1119 -13.1105 -6.2112 -6.2111 -1.5032 -1.4713 -1.0385 -1.0129 -0.3668 -0.3574 0.4952 0.4996 0.7787 0.7998 1.1121 1.1235 1.7267 1.7326 2.1085 2.1189 2.2518 2.2577 2.6620 2.6646 3.0108 3.0139 4.3325 4.3351 6.6055 6.6902 7.9858 8.1293 8.4064 8.5494 k = 0.1287 0.5439 0.2834 ( 2923 PWs) bands (ev): -14.1048 -14.1043 -13.6629 -13.6622 -13.2256 -13.2244 -13.1023 -13.1011 -6.1921 -6.1920 -1.5014 -1.4681 -1.0782 -1.0502 -0.3708 -0.3630 0.5028 0.5077 0.7594 0.7784 1.1226 1.1334 1.7346 1.7404 2.0991 2.1102 2.2429 2.2494 2.6661 2.6685 3.0072 3.0101 4.3321 4.3345 6.6196 6.6982 8.0207 8.1631 8.4258 8.5660 k = 0.1158 0.5396 0.2897 ( 2921 PWs) bands (ev): -14.1140 -14.1136 -13.6675 -13.6668 -13.2197 -13.2186 -13.0935 -13.0925 -6.1741 -6.1740 -1.4998 -1.4655 -1.1149 -1.0849 -0.3745 -0.3681 0.5096 0.5150 0.7424 0.7593 1.1331 1.1431 1.7417 1.7471 2.0909 2.1025 2.2332 2.2401 2.6704 2.6727 3.0031 3.0057 4.3320 4.3342 6.6335 6.7057 8.0543 8.1940 8.4432 8.5793 k = 0.1030 0.5352 0.2960 ( 2921 PWs) bands (ev): -14.1222 -14.1219 -13.6716 -13.6710 -13.2143 -13.2135 -13.0856 -13.0847 -6.1575 -6.1574 -1.4984 -1.4635 -1.1482 -1.1167 -0.3778 -0.3728 0.5154 0.5211 0.7278 0.7427 1.1433 1.1524 1.7478 1.7529 2.0843 2.0962 2.2229 2.2302 2.6748 2.6769 2.9987 3.0011 4.3322 4.3342 6.6470 6.7124 8.0866 8.2214 8.4590 8.5894 k = 0.0901 0.5309 0.3022 ( 2925 PWs) bands (ev): -14.1296 -14.1293 -13.6753 -13.6748 -13.2096 -13.2088 -13.0785 -13.0777 -6.1424 -6.1423 -1.4971 -1.4625 -1.1774 -1.1454 -0.3809 -0.3770 0.5200 0.5260 0.7159 0.7289 1.1529 1.1611 1.7528 1.7575 2.0794 2.0914 2.2124 2.2199 2.6792 2.6811 2.9942 2.9963 4.3326 4.3343 6.6600 6.7181 8.1174 8.2448 8.4737 8.5963 k = 0.0772 0.5265 0.3085 ( 2933 PWs) bands (ev): -14.1360 -14.1357 -13.6785 -13.6781 -13.2054 -13.2048 -13.0723 -13.0717 -6.1290 -6.1289 -1.4959 -1.4626 -1.2022 -1.1708 -0.3837 -0.3807 0.5235 0.5294 0.7066 0.7178 1.1618 1.1690 1.7568 1.7611 2.0764 2.0882 2.2017 2.2093 2.6834 2.6850 2.9897 2.9916 4.3330 4.3345 6.6723 6.7228 8.1464 8.2637 8.4878 8.6002 k = 0.0644 0.5222 0.3148 ( 2929 PWs) bands (ev): -14.1414 -14.1412 -13.6813 -13.6809 -13.2019 -13.2014 -13.0670 -13.0665 -6.1173 -6.1173 -1.4946 -1.4638 -1.2223 -1.1929 -0.3862 -0.3840 0.5259 0.5315 0.6998 0.7092 1.1698 1.1759 1.7599 1.7636 2.0751 2.0865 2.1914 2.1989 2.6872 2.6887 2.9855 2.9871 4.3336 4.3348 6.6836 6.7263 8.1735 8.2776 8.5016 8.6011 k = 0.0515 0.5178 0.3211 ( 2925 PWs) bands (ev): -14.1459 -14.1457 -13.6835 -13.6832 -13.1990 -13.1986 -13.0627 -13.0623 -6.1076 -6.1076 -1.4931 -1.4663 -1.2376 -1.2116 -0.3883 -0.3867 0.5274 0.5323 0.6952 0.7027 1.1767 1.1817 1.7622 1.7653 2.0756 2.0859 2.1819 2.1890 2.6906 2.6918 2.9818 2.9830 4.3342 4.3352 6.6940 6.7285 8.1985 8.2863 8.5155 8.5992 k = 0.0386 0.5135 0.3274 ( 2924 PWs) bands (ev): -14.1493 -14.1492 -13.6853 -13.6851 -13.1967 -13.1964 -13.0593 -13.0590 -6.0999 -6.0999 -1.4912 -1.4697 -1.2480 -1.2271 -0.3900 -0.3889 0.5284 0.5323 0.6924 0.6981 1.1824 1.1862 1.7639 1.7663 2.0774 2.0862 2.1737 2.1799 2.6935 2.6943 2.9787 2.9796 4.3347 4.3354 6.7032 6.7293 8.2211 8.2898 8.5294 8.5947 k = 0.0257 0.5092 0.3337 ( 2923 PWs) bands (ev): -14.1518 -14.1517 -13.6865 -13.6864 -13.1950 -13.1948 -13.0568 -13.0567 -6.0944 -6.0944 -1.4888 -1.4737 -1.2540 -1.2392 -0.3912 -0.3905 0.5290 0.5318 0.6910 0.6948 1.1867 1.1893 1.7650 1.7667 2.0800 2.0866 2.1674 2.1722 2.6956 2.6962 2.9764 2.9770 4.3351 4.3356 6.7111 6.7286 8.2411 8.2883 8.5430 8.5878 k = 0.0129 0.5048 0.3400 ( 2916 PWs) bands (ev): -14.1533 -14.1532 -13.6873 -13.6872 -13.1940 -13.1939 -13.0554 -13.0553 -6.0910 -6.0910 -1.4857 -1.4780 -1.2557 -1.2481 -0.3919 -0.3916 0.5296 0.5310 0.6908 0.6927 1.1896 1.1909 1.7658 1.7667 2.0828 2.0864 2.1639 2.1666 2.6970 2.6973 2.9750 2.9753 4.3354 4.3357 6.7177 6.7265 8.2582 8.2822 8.5561 8.5789 k = 0.0000 0.5005 0.3462 ( 2916 PWs) bands (ev): -14.1538 -14.1538 -13.6875 -13.6875 -13.1936 -13.1936 -13.0548 -13.0548 -6.0899 -6.0899 -1.4821 -1.4821 -1.2537 -1.2537 -0.3920 -0.3920 0.5303 0.5303 0.6913 0.6913 1.1910 1.1910 1.7664 1.7664 2.0851 2.0851 2.1636 2.1636 2.6976 2.6976 2.9746 2.9746 4.3356 4.3356 6.7228 6.7228 8.2721 8.2721 8.5682 8.5682 k = 0.0000 0.5005 0.3462 ( 2916 PWs) bands (ev): -14.1538 -14.1538 -13.6875 -13.6875 -13.1936 -13.1936 -13.0548 -13.0548 -6.0899 -6.0899 -1.4821 -1.4821 -1.2537 -1.2537 -0.3920 -0.3920 0.5303 0.5303 0.6913 0.6913 1.1910 1.1910 1.7664 1.7664 2.0851 2.0851 2.1636 2.1636 2.6976 2.6976 2.9746 2.9746 4.3356 4.3356 6.7228 6.7228 8.2721 8.2721 8.5682 8.5682 k = 0.0076 0.4932 0.3567 ( 2920 PWs) bands (ev): -14.1534 -14.1534 -13.6873 -13.6872 -13.1941 -13.1940 -13.0552 -13.0551 -6.0901 -6.0901 -1.4852 -1.4800 -1.2565 -1.2501 -0.3925 -0.3903 0.5276 0.5300 0.6912 0.6920 1.1908 1.1925 1.7640 1.7652 2.0853 2.0867 2.1649 2.1665 2.6974 2.6979 2.9749 2.9752 4.3348 4.3349 6.7217 6.7236 8.2704 8.2742 8.5661 8.5698 k = 0.0152 0.4859 0.3672 ( 2924 PWs) bands (ev): -14.1522 -14.1522 -13.6865 -13.6863 -13.1955 -13.1953 -13.0563 -13.0560 -6.0906 -6.0905 -1.4892 -1.4790 -1.2585 -1.2459 -0.3916 -0.3872 0.5221 0.5269 0.6916 0.6931 1.1918 1.1951 1.7584 1.7607 2.0871 2.0897 2.1704 2.1736 2.6974 2.6984 2.9759 2.9766 4.3326 4.3328 6.7202 6.7240 8.2691 8.2768 8.5633 8.5709 k = 0.0227 0.4787 0.3777 ( 2922 PWs) bands (ev): -14.1502 -14.1502 -13.6852 -13.6850 -13.1977 -13.1974 -13.0580 -13.0576 -6.0913 -6.0913 -1.4939 -1.4791 -1.2596 -1.2411 -0.3896 -0.3829 0.5140 0.5212 0.6926 0.6949 1.1940 1.1989 1.7501 1.7533 2.0900 2.0935 2.1802 2.1848 2.6976 2.6992 2.9776 2.9787 4.3291 4.3294 6.7184 6.7241 8.2682 8.2798 8.5601 8.5715 k = 0.0303 0.4714 0.3882 ( 2922 PWs) bands (ev): -14.1475 -14.1474 -13.6835 -13.6831 -13.2008 -13.2004 -13.0603 -13.0598 -6.0924 -6.0923 -1.4994 -1.4802 -1.2597 -1.2358 -0.3866 -0.3777 0.5036 0.5130 0.6942 0.6973 1.1973 1.2036 1.7398 1.7437 2.0934 2.0973 2.1941 2.1998 2.6980 2.7001 2.9800 2.9814 4.3242 4.3246 6.7163 6.7238 8.2677 8.2832 8.5562 8.5716 k = 0.0379 0.4642 0.3987 ( 2918 PWs) bands (ev): -14.1440 -14.1439 -13.6812 -13.6807 -13.2047 -13.2042 -13.0633 -13.0626 -6.0938 -6.0937 -1.5053 -1.4824 -1.2589 -1.2301 -0.3830 -0.3718 0.4914 0.5030 0.6966 0.7003 1.2016 1.2091 1.7279 1.7325 2.0971 2.1011 2.2115 2.2180 2.6987 2.7014 2.9829 2.9847 4.3181 4.3186 6.7139 6.7232 8.2675 8.2870 8.5518 8.5713 k = 0.0455 0.4569 0.4092 ( 2916 PWs) bands (ev): -14.1397 -14.1396 -13.6784 -13.6778 -13.2095 -13.2089 -13.0669 -13.0661 -6.0954 -6.0953 -1.5116 -1.4855 -1.2571 -1.2242 -0.3792 -0.3658 0.4779 0.4917 0.6997 0.7041 1.2069 1.2152 1.7152 1.7203 2.1008 2.1048 2.2316 2.2388 2.6997 2.7030 2.9863 2.9884 4.3110 4.3115 6.7113 6.7223 8.2675 8.2911 8.5468 8.5705 k = 0.0530 0.4496 0.4197 ( 2924 PWs) bands (ev): -14.1346 -14.1346 -13.6751 -13.6745 -13.2150 -13.2143 -13.0712 -13.0702 -6.0973 -6.0971 -1.5181 -1.4894 -1.2545 -1.2179 -0.3757 -0.3600 0.4638 0.4799 0.7037 0.7086 1.2129 1.2220 1.7020 1.7075 2.1048 2.1086 2.2534 2.2611 2.7011 2.7049 2.9899 2.9923 4.3028 4.3034 6.7086 6.7212 8.2678 8.2955 8.5412 8.5694 k = 0.0606 0.4424 0.4302 ( 2922 PWs) bands (ev): -14.1289 -14.1288 -13.6714 -13.6707 -13.2213 -13.2205 -13.0760 -13.0749 -6.0994 -6.0992 -1.5247 -1.4938 -1.2511 -1.2115 -0.3731 -0.3551 0.4500 0.4681 0.7084 0.7139 1.2195 1.2291 1.6886 1.6945 2.1090 2.1127 2.2762 2.2843 2.7029 2.7073 2.9936 2.9962 4.2939 4.2945 6.7058 6.7200 8.2682 8.3002 8.5352 8.5680 k = 0.0682 0.4351 0.4407 ( 2922 PWs) bands (ev): -14.1224 -14.1223 -13.6672 -13.6664 -13.2282 -13.2274 -13.0814 -13.0802 -6.1017 -6.1015 -1.5313 -1.4987 -1.2470 -1.2048 -0.3719 -0.3516 0.4371 0.4574 0.7140 0.7199 1.2266 1.2366 1.6751 1.6814 2.1137 2.1172 2.2993 2.3076 2.7052 2.7102 2.9972 3.0000 4.2843 4.2850 6.7029 6.7186 8.2686 8.3051 8.5286 8.5664 k = 0.0758 0.4279 0.4512 ( 2922 PWs) bands (ev): -14.1152 -14.1151 -13.6627 -13.6618 -13.2359 -13.2349 -13.0875 -13.0861 -6.1042 -6.1040 -1.5378 -1.5038 -1.2423 -1.1980 -0.3727 -0.3503 0.4261 0.4485 0.7203 0.7267 1.2342 1.2442 1.6617 1.6683 2.1190 2.1224 2.3220 2.3304 2.7081 2.7136 3.0005 3.0035 4.2743 4.2751 6.7001 6.7172 8.2691 8.3101 8.5216 8.5646 k = 0.0833 0.4206 0.4617 ( 2922 PWs) bands (ev): -14.1074 -14.1073 -13.6578 -13.6567 -13.2441 -13.2430 -13.0940 -13.0925 -6.1069 -6.1067 -1.5440 -1.5090 -1.2370 -1.1910 -0.3762 -0.3516 0.4177 0.4421 0.7274 0.7342 1.2420 1.2521 1.6485 1.6553 2.1250 2.1283 2.3437 2.3523 2.7115 2.7176 3.0033 3.0065 4.2641 4.2649 6.6975 6.7158 8.2694 8.3152 8.5142 8.5626 k = 0.0909 0.4133 0.4721 ( 2922 PWs) bands (ev): -14.0989 -14.0988 -13.6525 -13.6513 -13.2529 -13.2517 -13.1011 -13.0995 -6.1097 -6.1094 -1.5499 -1.5142 -1.2312 -1.1839 -0.3827 -0.3561 0.4126 0.4389 0.7353 0.7423 1.2501 1.2599 1.6353 1.6424 2.1319 2.1351 2.3642 2.3728 2.7154 2.7220 3.0055 3.0089 4.2539 4.2546 6.6950 6.7144 8.2695 8.3204 8.5064 8.5606 k = 0.0985 0.4061 0.4826 ( 2924 PWs) bands (ev): -14.0899 -14.0898 -13.6470 -13.6457 -13.2622 -13.2609 -13.1087 -13.1069 -6.1126 -6.1123 -1.5554 -1.5192 -1.2250 -1.1766 -0.3927 -0.3643 0.4112 0.4393 0.7439 0.7512 1.2582 1.2678 1.6222 1.6296 2.1398 2.1428 2.3831 2.3916 2.7198 2.7269 3.0068 3.0104 4.2437 4.2445 6.6929 6.7132 8.2694 8.3255 8.4982 8.5586 k = 0.1061 0.3988 0.4931 ( 2924 PWs) bands (ev): -14.0802 -14.0801 -13.6412 -13.6398 -13.2719 -13.2704 -13.1168 -13.1149 -6.1156 -6.1153 -1.5604 -1.5239 -1.2184 -1.1691 -0.4062 -0.3762 0.4139 0.4435 0.7532 0.7607 1.2664 1.2757 1.6091 1.6167 2.1487 2.1516 2.4002 2.4087 2.7245 2.7320 3.0073 3.0109 4.2339 4.2347 6.6910 6.7121 8.2691 8.3305 8.4899 8.5566 k = 0.1136 0.3916 0.5036 ( 2928 PWs) bands (ev): -14.0701 -14.0700 -13.6353 -13.6337 -13.2818 -13.2802 -13.1254 -13.1233 -6.1186 -6.1183 -1.5650 -1.5282 -1.2114 -1.1614 -0.4233 -0.3919 0.4207 0.4516 0.7631 0.7708 1.2746 1.2834 1.5960 1.6037 2.1587 2.1615 2.4155 2.4238 2.7293 2.7373 3.0067 3.0105 4.2246 4.2253 6.6896 6.7113 8.2683 8.3354 8.4813 8.5547 k = 0.1212 0.3843 0.5141 ( 2934 PWs) bands (ev): -14.0594 -14.0594 -13.6293 -13.6275 -13.2919 -13.2902 -13.1343 -13.1322 -6.1217 -6.1214 -1.5689 -1.5321 -1.2040 -1.1534 -0.4437 -0.4113 0.4314 0.4635 0.7736 0.7814 1.2827 1.2910 1.5826 1.5905 2.1698 2.1725 2.4289 2.4370 2.7340 2.7423 3.0051 3.0089 4.2159 4.2166 6.6886 6.7108 8.2672 8.3401 8.4726 8.5529 k = 0.1288 0.3771 0.5246 ( 2932 PWs) bands (ev): -14.0484 -14.0483 -13.6233 -13.6213 -13.3021 -13.3002 -13.1437 -13.1414 -6.1247 -6.1244 -1.5723 -1.5355 -1.1961 -1.1451 -0.4672 -0.4339 0.4457 0.4788 0.7846 0.7927 1.2907 1.2984 1.5691 1.5771 2.1820 2.1846 2.4405 2.4485 2.7382 2.7468 3.0025 3.0064 4.2080 4.2086 6.6880 6.7105 8.2656 8.3445 8.4639 8.5513 k = 0.1364 0.3698 0.5351 ( 2924 PWs) bands (ev): -14.0369 -14.0369 -13.6174 -13.6152 -13.3121 -13.3101 -13.1534 -13.1510 -6.1277 -6.1274 -1.5752 -1.5385 -1.1878 -1.1365 -0.4934 -0.4592 0.4630 0.4971 0.7961 0.8045 1.2984 1.3056 1.5552 1.5633 2.1954 2.1979 2.4506 2.4584 2.7416 2.7504 2.9988 3.0028 4.2009 4.2014 6.6880 6.7105 8.2637 8.3485 8.4553 8.5499 k = 0.1439 0.3625 0.5456 ( 2926 PWs) bands (ev): -14.0252 -14.0252 -13.6117 -13.6093 -13.3219 -13.3197 -13.1635 -13.1610 -6.1307 -6.1304 -1.5774 -1.5409 -1.1790 -1.1275 -0.5217 -0.4870 0.4829 0.5178 0.8079 0.8168 1.3059 1.3126 1.5410 1.5492 2.2098 2.2123 2.4593 2.4670 2.7438 2.7528 2.9943 2.9983 4.1946 4.1951 6.6885 6.7109 8.2614 8.3521 8.4469 8.5487 k = 0.1515 0.3553 0.5561 ( 2924 PWs) bands (ev): -14.0133 -14.0132 -13.6064 -13.6038 -13.3311 -13.3288 -13.1739 -13.1712 -6.1336 -6.1332 -1.5791 -1.5429 -1.1697 -1.1180 -0.5519 -0.5165 0.5047 0.5405 0.8202 0.8297 1.3131 1.3193 1.5264 1.5346 2.2252 2.2278 2.4668 2.4744 2.7445 2.7536 2.9891 2.9931 4.1892 4.1897 6.6895 6.7115 8.2587 8.3552 8.4390 8.5477 k = 0.1591 0.3480 0.5666 ( 2924 PWs) bands (ev): -14.0013 -14.0012 -13.6017 -13.5988 -13.3397 -13.3372 -13.1844 -13.1816 -6.1363 -6.1360 -1.5803 -1.5444 -1.1597 -1.1079 -0.5833 -0.5474 0.5277 0.5644 0.8327 0.8431 1.3200 1.3256 1.5113 1.5196 2.2415 2.2442 2.4734 2.4809 2.7434 2.7527 2.9833 2.9873 4.1847 4.1852 6.6909 6.7123 8.2557 8.3576 8.4315 8.5469 k = 0.1667 0.3408 0.5771 ( 2930 PWs) bands (ev): -13.9892 -13.9891 -13.5976 -13.5944 -13.3474 -13.3447 -13.1952 -13.1922 -6.1390 -6.1386 -1.5811 -1.5454 -1.1489 -1.0972 -0.6156 -0.5793 0.5513 0.5890 0.8456 0.8571 1.3264 1.3316 1.4959 1.5041 2.2586 2.2614 2.4793 2.4868 2.7404 2.7497 2.9771 2.9812 4.1810 4.1815 6.6928 6.7134 8.2525 8.3593 8.4248 8.5463 k = 0.1742 0.3335 0.5876 ( 2932 PWs) bands (ev): -13.9772 -13.9771 -13.5944 -13.5909 -13.3539 -13.3511 -13.2061 -13.2030 -6.1414 -6.1410 -1.5814 -1.5461 -1.1374 -1.0857 -0.6485 -0.6116 0.5750 0.6137 0.8587 0.8717 1.3324 1.3372 1.4800 1.4883 2.2762 2.2793 2.4846 2.4922 2.7353 2.7447 2.9708 2.9749 4.1781 4.1785 6.6950 6.7146 8.2491 8.3600 8.4191 8.5458 k = 0.1818 0.3262 0.5981 ( 2932 PWs) bands (ev): -13.9655 -13.9653 -13.5921 -13.5883 -13.3590 -13.3561 -13.2170 -13.2138 -6.1437 -6.1433 -1.5814 -1.5465 -1.1249 -1.0733 -0.6815 -0.6442 0.5981 0.6378 0.8722 0.8868 1.3379 1.3424 1.4639 1.4722 2.2941 2.2976 2.4897 2.4973 2.7282 2.7376 2.9646 2.9685 4.1758 4.1763 6.6975 6.7159 8.2457 8.3598 8.4146 8.5455 k = 0.1894 0.3190 0.6085 ( 2930 PWs) bands (ev): -13.9541 -13.9539 -13.5908 -13.5868 -13.3626 -13.3597 -13.2280 -13.2246 -6.1458 -6.1454 -1.5810 -1.5466 -1.1115 -1.0601 -0.7144 -0.6767 0.6200 0.6608 0.8859 0.9023 1.3429 1.3471 1.4476 1.4560 2.3121 2.3160 2.4945 2.5024 2.7193 2.7286 2.9585 2.9624 4.1742 4.1747 6.7003 6.7172 8.2423 8.3585 8.4112 8.5453 k = 0.1970 0.3117 0.6190 ( 2934 PWs) bands (ev): -13.9433 -13.9430 -13.5905 -13.5863 -13.3646 -13.3616 -13.2388 -13.2352 -6.1477 -6.1473 -1.5805 -1.5465 -1.0970 -1.0457 -0.7469 -0.7088 0.6402 0.6820 0.8999 0.9180 1.3474 1.3514 1.4314 1.4399 2.3297 2.3342 2.4993 2.5074 2.7088 2.7179 2.9528 2.9565 4.1730 4.1736 6.7031 6.7185 8.2390 8.3565 8.4090 8.5452 k = 0.2045 0.3045 0.6295 ( 2932 PWs) bands (ev): -13.9333 -13.9329 -13.5911 -13.5867 -13.3649 -13.3620 -13.2494 -13.2456 -6.1494 -6.1490 -1.5799 -1.5463 -1.0813 -1.0303 -0.7788 -0.7403 0.6584 0.7011 0.9138 0.9338 1.3512 1.3551 1.4157 1.4242 2.3467 2.3518 2.5042 2.5127 2.6970 2.7059 2.9475 2.9510 4.1723 4.1729 6.7061 6.7196 8.2359 8.3539 8.4076 8.5452 k = 0.2121 0.2972 0.6400 ( 2922 PWs) bands (ev): -13.9242 -13.9238 -13.5924 -13.5879 -13.3638 -13.3610 -13.2595 -13.2555 -6.1509 -6.1504 -1.5792 -1.5460 -1.0646 -1.0137 -0.8097 -0.7709 0.6741 0.7175 0.9274 0.9491 1.3544 1.3583 1.4007 1.4093 2.3625 2.3683 2.5093 2.5182 2.6845 2.6931 2.9429 2.9461 4.1718 4.1725 6.7090 6.7205 8.2332 8.3511 8.4070 8.5453 k = 0.2197 0.2899 0.6505 ( 2920 PWs) bands (ev): -13.9163 -13.9158 -13.5941 -13.5894 -13.3614 -13.3589 -13.2691 -13.2648 -6.1520 -6.1516 -1.5785 -1.5457 -1.0467 -0.9959 -0.8394 -0.8006 0.6872 0.7310 0.9401 0.9633 1.3568 1.3610 1.3873 1.3958 2.3765 2.3831 2.5147 2.5239 2.6719 2.6800 2.9388 2.9419 4.1716 4.1723 6.7117 6.7211 8.2308 8.3485 8.4067 8.5453 k = 0.2273 0.2827 0.6610 ( 2916 PWs) bands (ev): -13.9099 -13.9093 -13.5959 -13.5911 -13.3583 -13.3561 -13.2776 -13.2731 -6.1530 -6.1525 -1.5779 -1.5454 -1.0278 -0.9769 -0.8675 -0.8292 0.6974 0.7416 0.9513 0.9757 1.3582 1.3630 1.3762 1.3842 2.3881 2.3954 2.5202 2.5296 2.6601 2.6674 2.9356 2.9384 4.1714 4.1722 6.7142 6.7213 8.2289 8.3462 8.4066 8.5454 k = 0.2348 0.2754 0.6715 ( 2910 PWs) bands (ev): -13.9051 -13.9045 -13.5975 -13.5926 -13.3550 -13.3533 -13.2846 -13.2799 -6.1537 -6.1532 -1.5775 -1.5452 -1.0086 -0.9572 -0.8930 -0.8564 0.7048 0.7492 0.9600 0.9855 1.3577 1.3645 1.3690 1.3754 2.3969 2.4048 2.5255 2.5348 2.6504 2.6565 2.9332 2.9358 4.1714 4.1722 6.7164 6.7212 8.2275 8.3444 8.4067 8.5454 k = 0.2424 0.2682 0.6820 ( 2916 PWs) bands (ev): -13.9022 -13.9015 -13.5986 -13.5937 -13.3523 -13.3511 -13.2894 -13.2844 -6.1541 -6.1536 -1.5772 -1.5450 -0.9907 -0.9393 -0.9116 -0.8818 0.7092 0.7537 0.9657 0.9917 1.3553 1.3651 1.3665 1.3700 2.4023 2.4106 2.5295 2.5385 2.6439 2.6486 2.9317 2.9342 4.1714 4.1722 6.7182 6.7206 8.2266 8.3433 8.4067 8.5455 k = 0.2500 0.2609 0.6925 ( 2920 PWs) bands (ev): -13.9012 -13.9005 -13.5989 -13.5940 -13.3513 -13.3504 -13.2911 -13.2860 -6.1542 -6.1538 -1.5771 -1.5450 -0.9817 -0.9355 -0.9072 -0.9019 0.7106 0.7552 0.9676 0.9939 1.3539 1.3651 1.3661 1.3684 2.4041 2.4125 2.5311 2.5399 2.6417 2.6456 2.9313 2.9337 4.1714 4.1722 6.7196 6.7197 8.2263 8.3429 8.4067 8.5455 k = 0.2500 0.2609 0.6925 ( 2920 PWs) bands (ev): -13.9012 -13.9005 -13.5989 -13.5940 -13.3513 -13.3504 -13.2911 -13.2860 -6.1542 -6.1538 -1.5771 -1.5450 -0.9817 -0.9355 -0.9072 -0.9019 0.7106 0.7552 0.9676 0.9939 1.3539 1.3651 1.3661 1.3684 2.4041 2.4125 2.5311 2.5399 2.6417 2.6456 2.9313 2.9337 4.1714 4.1722 6.7196 6.7197 8.2263 8.3429 8.4067 8.5455 k = 0.2571 0.2684 0.6817 ( 2916 PWs) bands (ev): -13.9017 -13.9011 -13.5988 -13.5939 -13.3518 -13.3507 -13.2901 -13.2851 -6.1542 -6.1538 -1.5786 -1.5467 -0.9851 -0.9359 -0.9119 -0.8873 0.7092 0.7535 0.9671 0.9931 1.3499 1.3582 1.3708 1.3760 2.4025 2.4109 2.5301 2.5389 2.6438 2.6481 2.9318 2.9342 4.1710 4.1718 6.7189 6.7204 8.2230 8.3291 8.4205 8.5487 k = 0.2643 0.2758 0.6709 ( 2914 PWs) bands (ev): -13.9032 -13.9025 -13.5986 -13.5937 -13.3534 -13.3520 -13.2871 -13.2823 -6.1543 -6.1539 -1.5832 -1.5521 -0.9912 -0.9420 -0.9017 -0.8671 0.7048 0.7485 0.9658 0.9909 1.3446 1.3515 1.3787 1.3848 2.3980 2.4060 2.5275 2.5364 2.6499 2.6552 2.9333 2.9358 4.1697 4.1706 6.7187 6.7211 8.2134 8.3018 8.4474 8.5577 k = 0.2714 0.2833 0.6602 ( 2916 PWs) bands (ev): -13.9053 -13.9047 -13.5983 -13.5935 -13.3558 -13.3540 -13.2826 -13.2780 -6.1546 -6.1542 -1.5909 -1.5608 -0.9956 -0.9486 -0.8827 -0.8444 0.6974 0.7401 0.9635 0.9872 1.3407 1.3467 1.3868 1.3935 2.3906 2.3982 2.5240 2.5328 2.6592 2.6654 2.9359 2.9384 4.1677 4.1685 6.7191 6.7218 8.1982 8.2710 8.4770 8.5714 k = 0.2786 0.2907 0.6494 ( 2918 PWs) bands (ev): -13.9078 -13.9072 -13.5980 -13.5933 -13.3587 -13.3567 -13.2768 -13.2725 -6.1552 -6.1547 -1.6013 -1.5727 -0.9970 -0.9524 -0.8598 -0.8198 0.6871 0.7285 0.9606 0.9823 1.3386 1.3437 1.3950 1.4020 2.3807 2.3879 2.5202 2.5287 2.6709 2.6777 2.9394 2.9420 4.1648 4.1656 6.7200 6.7227 8.1787 8.2390 8.5067 8.5882 k = 0.2857 0.2982 0.6386 ( 2918 PWs) bands (ev): -13.9107 -13.9101 -13.5979 -13.5932 -13.3620 -13.3597 -13.2702 -13.2663 -6.1560 -6.1556 -1.6143 -1.5872 -0.9949 -0.9529 -0.8341 -0.7933 0.6740 0.7136 0.9571 0.9766 1.3382 1.3425 1.4032 1.4105 2.3690 2.3757 2.5162 2.5244 2.6840 2.6912 2.9438 2.9464 4.1613 4.1621 6.7216 6.7238 8.1558 8.2064 8.5356 8.6069 k = 0.2929 0.3056 0.6278 ( 2921 PWs) bands (ev): -13.9136 -13.9130 -13.5978 -13.5931 -13.3654 -13.3630 -13.2632 -13.2595 -6.1573 -6.1569 -1.6291 -1.6037 -0.9897 -0.9503 -0.8062 -0.7652 0.6581 0.6957 0.9531 0.9705 1.3392 1.3430 1.4115 1.4190 2.3557 2.3619 2.5122 2.5200 2.6978 2.7053 2.9489 2.9516 4.1571 4.1580 6.7236 6.7254 8.1304 8.1735 8.5633 8.6264 k = 0.3000 0.3131 0.6171 ( 2922 PWs) bands (ev): -13.9164 -13.9159 -13.5977 -13.5932 -13.3689 -13.3663 -13.2561 -13.2527 -6.1591 -6.1587 -1.6454 -1.6215 -0.9816 -0.9449 -0.7765 -0.7356 0.6396 0.6751 0.9489 0.9644 1.3412 1.3450 1.4201 1.4278 2.3414 2.3472 2.5080 2.5155 2.7118 2.7195 2.9547 2.9574 4.1525 4.1534 6.7257 6.7278 8.1031 8.1404 8.5892 8.6458 k = 0.3071 0.3205 0.6063 ( 2923 PWs) bands (ev): -13.9191 -13.9187 -13.5978 -13.5933 -13.3723 -13.3695 -13.2491 -13.2459 -6.1614 -6.1610 -1.6627 -1.6400 -0.9711 -0.9370 -0.7452 -0.7047 0.6187 0.6520 0.9443 0.9586 1.3438 1.3481 1.4291 1.4369 2.3263 2.3318 2.5036 2.5108 2.7255 2.7334 2.9609 2.9637 4.1477 4.1486 6.7277 6.7312 8.0744 8.1073 8.6131 8.6646 k = 0.3143 0.3280 0.5955 ( 2935 PWs) bands (ev): -13.9215 -13.9211 -13.5978 -13.5934 -13.3756 -13.3727 -13.2425 -13.2395 -6.1644 -6.1640 -1.6803 -1.6587 -0.9585 -0.9270 -0.7126 -0.6727 0.5957 0.6268 0.9397 0.9537 1.3468 1.3518 1.4389 1.4466 2.3107 2.3159 2.4989 2.5057 2.7387 2.7467 2.9674 2.9701 4.1427 4.1437 6.7298 6.7354 8.0446 8.0741 8.6347 8.6821 k = 0.3214 0.3354 0.5847 ( 2928 PWs) bands (ev): -13.9236 -13.9232 -13.5979 -13.5936 -13.3787 -13.3757 -13.2363 -13.2336 -6.1680 -6.1676 -1.6979 -1.6770 -0.9442 -0.9151 -0.6788 -0.6397 0.5709 0.5999 0.9353 0.9497 1.3499 1.3554 1.4497 1.4573 2.2949 2.2999 2.4937 2.5003 2.7512 2.7591 2.9739 2.9766 4.1379 4.1390 6.7321 6.7401 8.0139 8.0410 8.6539 8.6981 k = 0.3286 0.3429 0.5740 ( 2929 PWs) bands (ev): -13.9252 -13.9248 -13.5980 -13.5937 -13.3815 -13.3785 -13.2308 -13.2283 -6.1723 -6.1720 -1.7151 -1.6946 -0.9284 -0.9016 -0.6443 -0.6061 0.5447 0.5717 0.9312 0.9467 1.3525 1.3587 1.4617 1.4691 2.2790 2.2839 2.4879 2.4943 2.7628 2.7707 2.9802 2.9827 4.1334 4.1346 6.7345 6.7453 7.9826 8.0080 8.6702 8.7123 k = 0.3357 0.3504 0.5632 ( 2933 PWs) bands (ev): -13.9264 -13.9259 -13.5980 -13.5938 -13.3842 -13.3810 -13.2261 -13.2238 -6.1774 -6.1771 -1.7314 -1.7111 -0.9114 -0.8868 -0.6091 -0.5720 0.5173 0.5425 0.9277 0.9448 1.3546 1.3612 1.4751 1.4822 2.2632 2.2680 2.4815 2.4877 2.7733 2.7812 2.9859 2.9884 4.1295 4.1309 6.7369 6.7508 7.9509 7.9752 8.6836 8.7244 k = 0.3429 0.3578 0.5524 ( 2933 PWs) bands (ev): -13.9269 -13.9265 -13.5980 -13.5938 -13.3866 -13.3834 -13.2223 -13.2201 -6.1833 -6.1830 -1.7465 -1.7262 -0.8934 -0.8709 -0.5737 -0.5377 0.4892 0.5128 0.9252 0.9439 1.3558 1.3627 1.4900 1.4969 2.2476 2.2522 2.4743 2.4804 2.7829 2.7907 2.9909 2.9932 4.1264 4.1280 6.7393 6.7566 7.9188 7.9426 8.6938 8.7344 k = 0.3500 0.3653 0.5416 ( 2937 PWs) bands (ev): -13.9269 -13.9265 -13.5979 -13.5937 -13.3887 -13.3854 -13.2194 -13.2174 -6.1901 -6.1897 -1.7602 -1.7397 -0.8745 -0.8540 -0.5382 -0.5036 0.4608 0.4829 0.9238 0.9441 1.3559 1.3632 1.5065 1.5131 2.2322 2.2368 2.4663 2.4722 2.7914 2.7991 2.9949 2.9970 4.1243 4.1261 6.7416 6.7624 7.8865 7.9103 8.7007 8.7420 k = 0.3571 0.3727 0.5309 ( 2939 PWs) bands (ev): -13.9263 -13.9259 -13.5977 -13.5936 -13.3905 -13.3872 -13.2175 -13.2157 -6.1976 -6.1973 -1.7723 -1.7514 -0.8550 -0.8362 -0.5029 -0.4698 0.4325 0.4532 0.9236 0.9455 1.3549 1.3624 1.5244 1.5308 2.2171 2.2216 2.4573 2.4630 2.7990 2.8065 2.9977 2.9996 4.1235 4.1254 6.7436 6.7682 7.8542 7.8783 8.7043 8.7469 k = 0.3643 0.3802 0.5201 ( 2945 PWs) bands (ev): -13.9250 -13.9246 -13.5974 -13.5933 -13.3921 -13.3888 -13.2168 -13.2151 -6.2060 -6.2058 -1.7827 -1.7613 -0.8350 -0.8178 -0.4682 -0.4368 0.4047 0.4242 0.9247 0.9482 1.3529 1.3605 1.5436 1.5499 2.2022 2.2069 2.4472 2.4529 2.8055 2.8130 2.9991 3.0008 4.1240 4.1261 6.7453 6.7739 7.8219 7.8467 8.7045 8.7492 k = 0.3714 0.3876 0.5093 ( 2936 PWs) bands (ev): -13.9231 -13.9227 -13.5969 -13.5929 -13.3934 -13.3900 -13.2171 -13.2156 -6.2153 -6.2150 -1.7911 -1.7692 -0.8146 -0.7989 -0.4343 -0.4049 0.3778 0.3962 0.9273 0.9522 1.3497 1.3575 1.5641 1.5704 2.1878 2.1925 2.4361 2.4416 2.8112 2.8186 2.9989 3.0004 4.1260 4.1283 6.7466 6.7793 7.7898 7.8155 8.7011 8.7485 k = 0.3786 0.3951 0.4985 ( 2936 PWs) bands (ev): -13.9205 -13.9201 -13.5964 -13.5923 -13.3944 -13.3909 -13.2186 -13.2172 -6.2254 -6.2252 -1.7975 -1.7751 -0.7940 -0.7794 -0.4016 -0.3745 0.3522 0.3697 0.9314 0.9576 1.3455 1.3535 1.5857 1.5920 2.1738 2.1787 2.4238 2.4292 2.8161 2.8233 2.9972 2.9985 4.1295 4.1320 6.7473 6.7843 7.7579 7.7848 8.6942 8.7447 k = 0.3857 0.4025 0.4878 ( 2934 PWs) bands (ev): -13.9173 -13.9168 -13.5957 -13.5917 -13.3951 -13.3916 -13.2212 -13.2199 -6.2363 -6.2361 -1.8018 -1.7790 -0.7733 -0.7596 -0.3704 -0.3460 0.3284 0.3452 0.9370 0.9644 1.3404 1.3485 1.6080 1.6145 2.1601 2.1653 2.4102 2.4155 2.8203 2.8274 2.9939 2.9950 4.1345 4.1372 6.7474 6.7887 7.7264 7.7545 8.6838 8.7377 k = 0.3929 0.4100 0.4770 ( 2940 PWs) bands (ev): -13.9133 -13.9128 -13.5949 -13.5909 -13.3955 -13.3920 -13.2250 -13.2238 -6.2480 -6.2478 -1.8041 -1.7808 -0.7528 -0.7396 -0.3412 -0.3197 0.3068 0.3231 0.9442 0.9727 1.3344 1.3426 1.6310 1.6376 2.1469 2.1524 2.3954 2.4006 2.8238 2.8307 2.9890 2.9900 4.1411 4.1440 6.7469 6.7926 7.6953 7.7249 8.6698 8.7275 k = 0.4000 0.4174 0.4662 ( 2934 PWs) bands (ev): -13.9087 -13.9082 -13.5940 -13.5900 -13.3956 -13.3921 -13.2298 -13.2287 -6.2605 -6.2602 -1.8043 -1.7806 -0.7326 -0.7195 -0.3142 -0.2960 0.2879 0.3040 0.9531 0.9825 1.3276 1.3360 1.6544 1.6612 2.1342 2.1402 2.3793 2.3844 2.8267 2.8336 2.9828 2.9837 4.1491 4.1522 6.7455 6.7957 7.6647 7.6958 8.6523 8.7138 k = 0.4071 0.4249 0.4554 ( 2934 PWs) bands (ev): -13.9034 -13.9030 -13.5930 -13.5891 -13.3954 -13.3919 -13.2358 -13.2347 -6.2736 -6.2734 -1.8025 -1.7785 -0.7128 -0.6993 -0.2898 -0.2751 0.2719 0.2883 0.9636 0.9939 1.3201 1.3286 1.6778 1.6849 2.1220 2.1286 2.3619 2.3670 2.8291 2.8359 2.9754 2.9763 4.1584 4.1617 6.7433 6.7981 7.6348 7.6675 8.6313 8.6967 k = 0.4143 0.4324 0.4447 ( 2934 PWs) bands (ev): -13.8976 -13.8971 -13.5919 -13.5880 -13.3949 -13.3914 -13.2427 -13.2417 -6.2873 -6.2871 -1.7988 -1.7745 -0.6938 -0.6794 -0.2681 -0.2572 0.2593 0.2763 0.9757 1.0067 1.3120 1.3208 1.7008 1.7083 2.1104 2.1177 2.3434 2.3485 2.8311 2.8378 2.9670 2.9678 4.1690 4.1724 6.7402 6.7996 7.6056 7.6399 8.6069 8.6763 k = 0.4214 0.4398 0.4339 ( 2929 PWs) bands (ev): -13.8911 -13.8906 -13.5908 -13.5869 -13.3942 -13.3906 -13.2506 -13.2497 -6.3016 -6.3014 -1.7932 -1.7688 -0.6757 -0.6599 -0.2494 -0.2420 0.2501 0.2681 0.9893 1.0209 1.3035 1.3125 1.7232 1.7310 2.0995 2.1076 2.3239 2.3290 2.8327 2.8393 2.9577 2.9586 4.1805 4.1841 6.7363 6.8001 7.5772 7.6131 8.5792 8.6525 k = 0.4286 0.4473 0.4231 ( 2932 PWs) bands (ev): -13.8840 -13.8835 -13.5896 -13.5858 -13.3931 -13.3896 -13.2594 -13.2584 -6.3164 -6.3162 -1.7858 -1.7613 -0.6587 -0.6413 -0.2338 -0.2287 0.2444 0.2636 1.0044 1.0363 1.2946 1.3039 1.7443 1.7526 2.0892 2.0983 2.3037 2.3089 2.8341 2.8406 2.9479 2.9489 4.1929 4.1966 6.7314 6.7997 7.5497 7.5871 8.5484 8.6255 k = 0.4357 0.4547 0.4123 ( 2936 PWs) bands (ev): -13.8765 -13.8760 -13.5885 -13.5847 -13.3918 -13.3882 -13.2690 -13.2680 -6.3315 -6.3313 -1.7769 -1.7524 -0.6429 -0.6236 -0.2216 -0.2160 0.2420 0.2625 1.0208 1.0528 1.2855 1.2952 1.7637 1.7724 2.0795 2.0898 2.2830 2.2885 2.8352 2.8416 2.9378 2.9388 4.2059 4.2097 6.7256 6.7984 7.5232 7.5621 8.5146 8.5955 k = 0.4429 0.4622 0.4016 ( 2936 PWs) bands (ev): -13.8686 -13.8680 -13.5874 -13.5836 -13.3902 -13.3867 -13.2792 -13.2781 -6.3470 -6.3468 -1.7664 -1.7421 -0.6287 -0.6074 -0.2118 -0.2037 0.2425 0.2642 1.0383 1.0701 1.2764 1.2867 1.7808 1.7900 2.0703 2.0819 2.2626 2.2686 2.8361 2.8425 2.9276 2.9286 4.2194 4.2234 6.7190 6.7961 7.4977 7.5381 8.4781 8.5625 k = 0.4500 0.4696 0.3908 ( 2938 PWs) bands (ev): -13.8603 -13.8597 -13.5865 -13.5827 -13.3884 -13.3848 -13.2899 -13.2887 -6.3627 -6.3625 -1.7547 -1.7306 -0.6163 -0.5929 -0.2025 -0.1918 0.2454 0.2680 1.0567 1.0879 1.2675 1.2785 1.7950 1.8046 2.0611 2.0741 2.2434 2.2499 2.8370 2.8433 2.9174 2.9185 4.2332 4.2373 6.7115 6.7928 7.4734 7.5152 8.4392 8.5270 k = 0.4571 0.4771 0.3800 ( 2938 PWs) bands (ev): -13.8517 -13.8512 -13.5856 -13.5818 -13.3863 -13.3827 -13.3010 -13.2995 -6.3785 -6.3783 -1.7417 -1.7181 -0.6056 -0.5803 -0.1926 -0.1798 0.2502 0.2734 1.0755 1.1055 1.2590 1.2712 1.8059 1.8159 2.0512 2.0654 2.2265 2.2338 2.8378 2.8441 2.9076 2.9088 4.2471 4.2513 6.7033 6.7886 7.4504 7.4934 8.3982 8.4891 k = 0.4643 0.4845 0.3692 ( 2936 PWs) bands (ev): -13.8431 -13.8426 -13.5849 -13.5811 -13.3840 -13.3804 -13.3122 -13.3105 -6.3943 -6.3942 -1.7279 -1.7048 -0.5968 -0.5698 -0.1814 -0.1670 0.2563 0.2797 1.0944 1.1223 1.2512 1.2652 1.8131 1.8234 2.0396 2.0548 2.2135 2.2215 2.8384 2.8448 2.8983 2.8994 4.2609 4.2652 6.6944 6.7835 7.4287 7.4728 8.3554 8.4492 k = 0.4714 0.4920 0.3585 ( 2942 PWs) bands (ev): -13.8346 -13.8341 -13.5844 -13.5806 -13.3815 -13.3779 -13.3232 -13.3214 -6.4101 -6.4099 -1.7132 -1.6907 -0.5899 -0.5614 -0.1684 -0.1530 0.2631 0.2865 1.1125 1.1373 1.2447 1.2615 1.8167 1.8270 2.0251 2.0408 2.2056 2.2141 2.8390 2.8454 2.8897 2.8907 4.2746 4.2790 6.6850 6.7777 7.4085 7.4535 8.3112 8.4076 k = 0.4786 0.4994 0.3477 ( 2942 PWs) bands (ev): -13.8265 -13.8259 -13.5840 -13.5801 -13.3789 -13.3753 -13.3338 -13.3318 -6.4256 -6.4255 -1.6980 -1.6762 -0.5845 -0.5548 -0.1532 -0.1376 0.2702 0.2935 1.1290 1.1491 1.2402 1.2611 1.8165 1.8267 2.0074 2.0232 2.2033 2.2120 2.8395 2.8460 2.8818 2.8828 4.2878 4.2923 6.6752 6.7712 7.3898 7.4356 8.2661 8.3647 k = 0.4857 0.5069 0.3369 ( 2942 PWs) bands (ev): -13.8189 -13.8184 -13.5837 -13.5798 -13.3764 -13.3727 -13.3435 -13.3414 -6.4409 -6.4408 -1.6823 -1.6614 -0.5804 -0.5499 -0.1360 -0.1207 0.2775 0.3003 1.1424 1.1568 1.2387 1.2648 1.8129 1.8229 1.9869 2.0023 2.2059 2.2144 2.8397 2.8463 2.8750 2.8759 4.3006 4.3052 6.6651 6.7641 7.3728 7.4191 8.2204 8.3209 k = 0.4929 0.5144 0.3262 ( 2943 PWs) bands (ev): -13.8123 -13.8118 -13.5833 -13.5793 -13.3744 -13.3707 -13.3517 -13.3496 -6.4559 -6.4557 -1.6665 -1.6465 -0.5773 -0.5460 -0.1172 -0.1025 0.2849 0.3071 1.1512 1.1603 1.2415 1.2726 1.8059 1.8155 1.9644 1.9794 2.2122 2.2204 2.8395 2.8463 2.8693 2.8701 4.3128 4.3174 6.6549 6.7566 7.3576 7.4042 8.1745 8.2767 k = 0.5000 0.5218 0.3154 ( 2942 PWs) bands (ev): -13.8072 -13.8067 -13.5826 -13.5785 -13.3742 -13.3705 -13.3566 -13.3548 -6.4703 -6.4702 -1.6505 -1.6315 -0.5747 -0.5429 -0.0973 -0.0834 0.2924 0.3140 1.1546 1.1604 1.2487 1.2833 1.7957 1.8048 1.9412 1.9557 2.2208 2.2287 2.8386 2.8455 2.8650 2.8659 4.3243 4.3290 6.6449 6.7489 7.3443 7.3909 8.1290 8.2323 k = 0.5000 0.5218 0.3154 ( 2942 PWs) bands (ev): -13.8072 -13.8067 -13.5826 -13.5785 -13.3742 -13.3705 -13.3566 -13.3548 -6.4703 -6.4702 -1.6505 -1.6315 -0.5747 -0.5429 -0.0973 -0.0834 0.2924 0.3140 1.1546 1.1604 1.2487 1.2833 1.7957 1.8048 1.9412 1.9557 2.2208 2.2287 2.8386 2.8455 2.8650 2.8659 4.3243 4.3290 6.6449 6.7489 7.3443 7.3909 8.1290 8.2323 k = 0.5000 0.5218 0.3004 ( 2942 PWs) bands (ev): -13.8014 -13.8008 -13.5814 -13.5772 -13.3762 -13.3724 -13.3603 -13.3585 -6.4901 -6.4900 -1.6291 -1.6116 -0.5696 -0.5372 -0.0699 -0.0574 0.3049 0.3253 1.1540 1.1585 1.2628 1.3002 1.7774 1.7854 1.9085 1.9223 2.2352 2.2427 2.8370 2.8438 2.8603 2.8611 4.3393 4.3441 6.6312 6.7381 7.3269 7.3735 8.0656 8.1701 k = 0.5000 0.5218 0.2853 ( 2942 PWs) bands (ev): -13.7958 -13.7953 -13.5804 -13.5762 -13.3779 -13.3740 -13.3637 -13.3619 -6.5099 -6.5098 -1.6093 -1.5934 -0.5609 -0.5279 -0.0447 -0.0337 0.3210 0.3398 1.1505 1.1558 1.2788 1.3178 1.7556 1.7624 1.8753 1.8883 2.2516 2.2586 2.8357 2.8425 2.8560 2.8568 4.3535 4.3583 6.6181 6.7276 7.3094 7.3557 8.0020 8.1073 k = 0.5000 0.5218 0.2703 ( 2942 PWs) bands (ev): -13.7906 -13.7900 -13.5796 -13.5754 -13.3793 -13.3754 -13.3666 -13.3648 -6.5296 -6.5296 -1.5916 -1.5773 -0.5482 -0.5144 -0.0221 -0.0126 0.3409 0.3578 1.1451 1.1518 1.2959 1.3357 1.7310 1.7363 1.8419 1.8540 2.2693 2.2760 2.8347 2.8414 2.8520 2.8528 4.3668 4.3717 6.6058 6.7177 7.2918 7.3378 7.9382 8.0440 k = 0.5000 0.5218 0.2553 ( 2936 PWs) bands (ev): -13.7857 -13.7852 -13.5790 -13.5749 -13.3806 -13.3766 -13.3691 -13.3674 -6.5491 -6.5491 -1.5762 -1.5636 -0.5311 -0.4965 -0.0026 0.0055 0.3646 0.3794 1.1385 1.1465 1.3135 1.3536 1.7040 1.7077 1.8085 1.8196 2.2879 2.2942 2.8339 2.8405 2.8485 2.8492 4.3792 4.3840 6.5946 6.7086 7.2741 7.3197 7.8747 7.9805 k = 0.5000 0.5218 0.2403 ( 2936 PWs) bands (ev): -13.7812 -13.7807 -13.5787 -13.5746 -13.3815 -13.3776 -13.3712 -13.3695 -6.5683 -6.5682 -1.5633 -1.5522 -0.5093 -0.4742 0.0139 0.0205 0.3919 0.4045 1.1307 1.1400 1.3311 1.3712 1.6751 1.6770 1.7751 1.7852 2.3069 2.3130 2.8333 2.8396 2.8453 2.8460 4.3905 4.3954 6.5848 6.7006 7.2565 7.3017 7.8116 7.9169 k = 0.5000 0.5218 0.2253 ( 2940 PWs) bands (ev): -13.7771 -13.7765 -13.5786 -13.5746 -13.3823 -13.3783 -13.3729 -13.3713 -6.5870 -6.5869 -1.5529 -1.5434 -0.4830 -0.4473 0.0273 0.0327 0.4222 0.4326 1.1217 1.1321 1.3484 1.3881 1.6445 1.6450 1.7421 1.7510 2.3261 2.3318 2.8327 2.8388 2.8425 2.8431 4.4009 4.4058 6.5766 6.6939 7.2389 7.2839 7.7491 7.8535 k = 0.5000 0.5218 0.2103 ( 2936 PWs) bands (ev): -13.7733 -13.7728 -13.5786 -13.5747 -13.3828 -13.3789 -13.3742 -13.3727 -6.6051 -6.6051 -1.5450 -1.5368 -0.4522 -0.4161 0.0380 0.0426 0.4551 0.4634 1.1114 1.1230 1.3650 1.4041 1.6116 1.6134 1.7096 1.7174 2.3451 2.3505 2.8322 2.8379 2.8402 2.8407 4.4104 4.4151 6.5702 6.6888 7.2216 7.2664 7.6877 7.7906 k = 0.5000 0.5218 0.1952 ( 2932 PWs) bands (ev): -13.7699 -13.7695 -13.5788 -13.5751 -13.3830 -13.3792 -13.3752 -13.3738 -6.6226 -6.6225 -1.5394 -1.5324 -0.4173 -0.3810 0.0465 0.0505 0.4899 0.4962 1.0996 1.1122 1.3805 1.4189 1.5780 1.5816 1.6778 1.6848 2.3637 2.3689 2.8317 2.8367 2.8381 2.8390 4.4189 4.4235 6.5660 6.6854 7.2044 7.2493 7.6276 7.7284 k = 0.5000 0.5218 0.1802 ( 2930 PWs) bands (ev): -13.7670 -13.7665 -13.5791 -13.5756 -13.3831 -13.3795 -13.3759 -13.3745 -6.6392 -6.6391 -1.5358 -1.5300 -0.3787 -0.3424 0.0530 0.0567 0.5259 0.5305 1.0861 1.0997 1.3943 1.4320 1.5448 1.5500 1.6469 1.6536 2.3817 2.3866 2.8312 2.8353 2.8362 2.8379 4.4264 4.4309 6.5639 6.6839 7.1875 7.2329 7.5691 7.6670 k = 0.5000 0.5218 0.1652 ( 2936 PWs) bands (ev): -13.7643 -13.7639 -13.5795 -13.5762 -13.3830 -13.3796 -13.3762 -13.3750 -6.6549 -6.6549 -1.5340 -1.5291 -0.3370 -0.3009 0.0580 0.0617 0.5625 0.5657 1.0706 1.0852 1.4055 1.4425 1.5127 1.5193 1.6174 1.6248 2.3990 2.4036 2.8307 2.8339 2.8346 2.8371 4.4331 4.4374 6.5643 6.6843 7.1709 7.2172 7.5127 7.6068 k = 0.5000 0.5218 0.1502 ( 2936 PWs) bands (ev): -13.7621 -13.7617 -13.5799 -13.5768 -13.3828 -13.3796 -13.3764 -13.3753 -6.6696 -6.6696 -1.5336 -1.5295 -0.2928 -0.2573 0.0620 0.0657 0.5992 0.6015 1.0529 1.0683 1.4129 1.4488 1.4828 1.4910 1.5904 1.5992 2.4153 2.4197 2.8301 2.8326 2.8331 2.8362 4.4389 4.4430 6.5672 6.6866 7.1546 7.2025 7.4589 7.5481 k = 0.5000 0.5218 0.1352 ( 2924 PWs) bands (ev): -13.7601 -13.7598 -13.5804 -13.5776 -13.3824 -13.3795 -13.3763 -13.3754 -6.6833 -6.6832 -1.5343 -1.5309 -0.2470 -0.2123 0.0651 0.0689 0.6352 0.6373 1.0330 1.0489 1.4138 1.4456 1.4570 1.4690 1.5676 1.5785 2.4306 2.4347 2.8296 2.8316 2.8320 2.8354 4.4440 4.4477 6.5726 6.6907 7.1385 7.1887 7.4081 7.4912 k = 0.5000 0.5218 0.1201 ( 2920 PWs) bands (ev): -13.7585 -13.7581 -13.5809 -13.5784 -13.3820 -13.3793 -13.3761 -13.3754 -6.6957 -6.6957 -1.5357 -1.5330 -0.2004 -0.1667 0.0677 0.0715 0.6703 0.6727 1.0108 1.0270 1.4055 1.4271 1.4385 1.4559 1.5516 1.5642 2.4448 2.4485 2.8291 2.8307 2.8310 2.8345 4.4483 4.4517 6.5805 6.6963 7.1227 7.1760 7.3611 7.4363 k = 0.5000 0.5218 0.1051 ( 2928 PWs) bands (ev): -13.7571 -13.7568 -13.5814 -13.5791 -13.3815 -13.3792 -13.3758 -13.3752 -6.7069 -6.7068 -1.5377 -1.5354 -0.1540 -0.1218 0.0699 0.0739 0.7040 0.7068 0.9867 1.0028 1.3902 1.4055 1.4230 1.4411 1.5438 1.5566 2.4576 2.4610 2.8286 2.8299 2.8302 2.8336 4.4519 4.4550 6.5909 6.7030 7.1073 7.1644 7.3185 7.3840 k = 0.5000 0.5218 0.0901 ( 2928 PWs) bands (ev): -13.7560 -13.7557 -13.5818 -13.5799 -13.3810 -13.3790 -13.3754 -13.3750 -6.7167 -6.7167 -1.5399 -1.5381 -0.1090 -0.0789 0.0722 0.0763 0.7358 0.7389 0.9613 0.9769 1.3737 1.3862 1.4065 1.4219 1.5423 1.5543 2.4690 2.4721 2.8282 2.8292 2.8295 2.8327 4.4549 4.4576 6.6035 6.7102 7.0925 7.1538 7.2811 7.3348 k = 0.5000 0.5218 0.0751 ( 2930 PWs) bands (ev): -13.7551 -13.7549 -13.5822 -13.5806 -13.3805 -13.3788 -13.3751 -13.3748 -6.7251 -6.7251 -1.5421 -1.5407 -0.0670 -0.0395 0.0749 0.0790 0.7651 0.7684 0.9358 0.9502 1.3591 1.3698 1.3890 1.4009 1.5443 1.5549 2.4790 2.4816 2.8279 2.8287 2.8290 2.8318 4.4574 4.4597 6.6182 6.7167 7.0791 7.1440 7.2493 7.2895 k = 0.5000 0.5218 0.0601 ( 2928 PWs) bands (ev): -13.7544 -13.7542 -13.5825 -13.5812 -13.3800 -13.3787 -13.3747 -13.3745 -6.7321 -6.7321 -1.5441 -1.5430 -0.0297 -0.0059 0.0788 0.0825 0.7912 0.7943 0.9117 0.9242 1.3472 1.3566 1.3721 1.3804 1.5477 1.5567 2.4873 2.4894 2.8276 2.8282 2.8287 2.8310 4.4593 4.4612 6.6345 6.7216 7.0683 7.1344 7.2235 7.2494 k = 0.5000 0.5218 0.0451 ( 2928 PWs) bands (ev): -13.7538 -13.7537 -13.5827 -13.5817 -13.3796 -13.3786 -13.3744 -13.3743 -6.7376 -6.7376 -1.5458 -1.5450 0.0007 0.0193 0.0849 0.0873 0.8130 0.8156 0.8907 0.9006 1.3379 1.3463 1.3574 1.3620 1.5515 1.5584 2.4940 2.4956 2.8274 2.8278 2.8284 2.8302 4.4609 4.4623 6.6519 6.7233 7.0616 7.1237 7.2036 7.2165 k = 0.5000 0.5218 0.0300 ( 2926 PWs) bands (ev): -13.7535 -13.7534 -13.5828 -13.5822 -13.3792 -13.3785 -13.3742 -13.3741 -6.7415 -6.7415 -1.5471 -1.5466 0.0223 0.0342 0.0929 0.0938 0.8293 0.8312 0.8751 0.8815 1.3315 1.3388 1.3463 1.3474 1.5549 1.5596 2.4989 2.5000 2.8273 2.8275 2.8284 2.8295 4.4620 4.4630 6.6696 6.7207 7.0608 7.1103 7.1894 7.1932 k = 0.5000 0.5218 0.0150 ( 2934 PWs) bands (ev): -13.7532 -13.7532 -13.5828 -13.5825 -13.3789 -13.3786 -13.3740 -13.3740 -6.7439 -6.7439 -1.5479 -1.5476 0.0350 0.0405 0.0998 0.1004 0.8387 0.8401 0.8666 0.8692 1.3281 1.3331 1.3386 1.3394 1.5576 1.5600 2.5019 2.5025 2.8272 2.8274 2.8284 2.8290 4.4628 4.4633 6.6865 6.7133 7.0665 7.0942 7.1805 7.1807 k = 0.5000 0.5218-0.0000 ( 2930 PWs) bands (ev): -13.7531 -13.7531 -13.5827 -13.5827 -13.3787 -13.3787 -13.3740 -13.3740 -6.7447 -6.7447 -1.5480 -1.5480 0.0405 0.0405 0.1028 0.1028 0.8420 0.8420 0.8648 0.8648 1.3287 1.3287 1.3367 1.3367 1.5593 1.5593 2.5031 2.5031 2.8273 2.8273 2.8286 2.8286 4.4632 4.4632 6.7015 6.7015 7.0784 7.0784 7.1772 7.1772 k = 0.0000 0.0000 0.6925 ( 2926 PWs) bands (ev): -13.9254 -13.9254 -13.6262 -13.6262 -13.3188 -13.3188 -13.2544 -13.2544 -6.1926 -6.1926 -1.9745 -1.9745 -0.8332 -0.8332 -0.1832 -0.1832 0.3564 0.3564 1.1007 1.1007 1.1156 1.1156 1.5153 1.5153 2.2935 2.2935 2.4395 2.4395 2.9883 2.9883 3.0313 3.0313 3.9495 3.9495 6.7841 6.7841 7.5989 7.5989 9.0574 9.0574 k = 0.0104 0.0109 0.6925 ( 2926 PWs) bands (ev): -13.9253 -13.9253 -13.6262 -13.6259 -13.3189 -13.3189 -13.2547 -13.2544 -6.1924 -6.1924 -1.9737 -1.9730 -0.8337 -0.8337 -0.1891 -0.1848 0.3568 0.3612 1.1004 1.1013 1.1156 1.1159 1.5149 1.5152 2.2935 2.2939 2.4396 2.4400 2.9868 2.9872 3.0309 3.0310 3.9505 3.9506 6.7839 6.7839 7.6003 7.6009 9.0550 9.0573 k = 0.0208 0.0217 0.6925 ( 2930 PWs) bands (ev): -13.9251 -13.9250 -13.6260 -13.6254 -13.3193 -13.3192 -13.2552 -13.2547 -6.1919 -6.1919 -1.9705 -1.9692 -0.8351 -0.8350 -0.2023 -0.1938 0.3624 0.3708 1.1002 1.1020 1.1161 1.1167 1.5141 1.5147 2.2939 2.2948 2.4404 2.4413 2.9825 2.9834 3.0298 3.0299 3.9537 3.9539 6.7831 6.7832 7.6052 7.6064 9.0501 9.0547 k = 0.0312 0.0326 0.6925 ( 2934 PWs) bands (ev): -13.9246 -13.9245 -13.6255 -13.6247 -13.3200 -13.3199 -13.2560 -13.2552 -6.1911 -6.1911 -1.9650 -1.9631 -0.8373 -0.8373 -0.2218 -0.2098 0.3726 0.3846 1.0996 1.1023 1.1176 1.1186 1.5129 1.5139 2.2948 2.2962 2.4420 2.4433 2.9756 2.9769 3.0279 3.0282 3.9589 3.9593 6.7819 6.7819 7.6134 7.6152 9.0428 9.0497 k = 0.0417 0.0435 0.6925 ( 2940 PWs) bands (ev): -13.9239 -13.9238 -13.6249 -13.6238 -13.3209 -13.3207 -13.2571 -13.2560 -6.1900 -6.1899 -1.9572 -1.9547 -0.8404 -0.8404 -0.2470 -0.2319 0.3866 0.4017 1.0981 1.1016 1.1206 1.1220 1.5112 1.5125 2.2961 2.2980 2.4442 2.4459 2.9663 2.9679 3.0254 3.0257 3.9661 3.9665 6.7802 6.7803 7.6250 7.6275 9.0330 9.0422 k = 0.0521 0.0544 0.6925 ( 2936 PWs) bands (ev): -13.9231 -13.9229 -13.6240 -13.6227 -13.3221 -13.3218 -13.2584 -13.2570 -6.1887 -6.1885 -1.9472 -1.9440 -0.8442 -0.8442 -0.2768 -0.2591 0.4037 0.4213 1.0955 1.0997 1.1252 1.1271 1.5091 1.5108 2.2980 2.3003 2.4470 2.4491 2.9547 2.9567 3.0222 3.0226 3.9750 3.9755 6.7780 6.7781 7.6398 7.6430 9.0208 9.0322 k = 0.0625 0.0652 0.6925 ( 2928 PWs) bands (ev): -13.9221 -13.9219 -13.6229 -13.6214 -13.3235 -13.3231 -13.2599 -13.2582 -6.1870 -6.1869 -1.9350 -1.9310 -0.8488 -0.8488 -0.3104 -0.2906 0.4229 0.4427 1.0920 1.0968 1.1313 1.1337 1.5066 1.5085 2.3003 2.3031 2.4505 2.4530 2.9410 2.9433 3.0185 3.0189 3.9855 3.9861 6.7754 6.7756 7.6578 7.6618 9.0061 9.0197 k = 0.0729 0.0761 0.6925 ( 2928 PWs) bands (ev): -13.9210 -13.9207 -13.6217 -13.6199 -13.3250 -13.3247 -13.2616 -13.2597 -6.1852 -6.1850 -1.9207 -1.9160 -0.8541 -0.8540 -0.3471 -0.3254 0.4436 0.4652 1.0875 1.0930 1.1387 1.1417 1.5035 1.5058 2.3032 2.3064 2.4545 2.4575 2.9254 2.9281 3.0141 3.0147 3.9972 3.9979 6.7724 6.7726 7.6789 7.6836 8.9889 9.0048 k = 0.0833 0.0870 0.6925 ( 2932 PWs) bands (ev): -13.9197 -13.9194 -13.6203 -13.6182 -13.3267 -13.3263 -13.2635 -13.2613 -6.1831 -6.1829 -1.9044 -1.8988 -0.8599 -0.8597 -0.3862 -0.3631 0.4652 0.4883 1.0823 1.0886 1.1473 1.1508 1.4999 1.5026 2.3066 2.3102 2.4590 2.4624 2.9082 2.9112 3.0092 3.0098 4.0100 4.0108 6.7691 6.7693 7.7029 7.7085 8.9693 8.9874 k = 0.0938 0.0978 0.6925 ( 2938 PWs) bands (ev): -13.9183 -13.9180 -13.6188 -13.6164 -13.3286 -13.3282 -13.2656 -13.2631 -6.1808 -6.1806 -1.8862 -1.8797 -0.8661 -0.8658 -0.4273 -0.4028 0.4872 0.5117 1.0763 1.0834 1.1570 1.1609 1.4958 1.4988 2.3106 2.3146 2.4640 2.4678 2.8897 2.8930 3.0038 3.0046 4.0236 4.0244 6.7655 6.7657 7.7297 7.7363 8.9472 8.9676 k = 0.1042 0.1087 0.6925 ( 2926 PWs) bands (ev): -13.9168 -13.9164 -13.6171 -13.6145 -13.3306 -13.3301 -13.2677 -13.2650 -6.1785 -6.1782 -1.8661 -1.8586 -0.8728 -0.8723 -0.4698 -0.4441 0.5094 0.5351 1.0697 1.0776 1.1676 1.1720 1.4912 1.4945 2.3152 2.3196 2.4694 2.4736 2.8701 2.8736 2.9980 2.9989 4.0377 4.0385 6.7616 6.7618 7.7590 7.7668 8.9228 8.9455 k = 0.1146 0.1196 0.6925 ( 2930 PWs) bands (ev): -13.9153 -13.9149 -13.6154 -13.6125 -13.3326 -13.3321 -13.2700 -13.2670 -6.1760 -6.1757 -1.8444 -1.8359 -0.8796 -0.8789 -0.5134 -0.4866 0.5313 0.5582 1.0625 1.0714 1.1791 1.1838 1.4859 1.4895 2.3203 2.3252 2.4750 2.4796 2.8496 2.8534 2.9919 2.9929 4.0521 4.0530 6.7576 6.7577 7.7908 7.7998 8.8960 8.9211 k = 0.1250 0.1305 0.6925 ( 2922 PWs) bands (ev): -13.9137 -13.9133 -13.6136 -13.6105 -13.3347 -13.3342 -13.2724 -13.2691 -6.1735 -6.1732 -1.8213 -1.8115 -0.8867 -0.8857 -0.5576 -0.5297 0.5528 0.5809 1.0548 1.0646 1.1913 1.1964 1.4801 1.4840 2.3261 2.3314 2.4810 2.4860 2.8285 2.8326 2.9856 2.9867 4.0665 4.0674 6.7534 6.7536 7.8247 7.8353 8.8669 8.8945 k = 0.1354 0.1413 0.6925 ( 2928 PWs) bands (ev): -13.9121 -13.9116 -13.6118 -13.6084 -13.3369 -13.3362 -13.2747 -13.2712 -6.1710 -6.1707 -1.7969 -1.7858 -0.8938 -0.8924 -0.6020 -0.5731 0.5737 0.6029 1.0465 1.0574 1.2041 1.2096 1.4736 1.4778 2.3325 2.3381 2.4870 2.4924 2.8071 2.8113 2.9791 2.9804 4.0808 4.0816 6.7491 6.7493 7.8606 7.8729 8.8356 8.8658 k = 0.1458 0.1522 0.6925 ( 2924 PWs) bands (ev): -13.9105 -13.9100 -13.6100 -13.6064 -13.3390 -13.3383 -13.2771 -13.2733 -6.1685 -6.1682 -1.7715 -1.7589 -0.9010 -0.8989 -0.6462 -0.6163 0.5938 0.6243 1.0378 1.0500 1.2175 1.2233 1.4665 1.4710 2.3394 2.3454 2.4931 2.4989 2.7857 2.7900 2.9726 2.9740 4.0946 4.0954 6.7449 6.7451 7.8982 7.9126 8.8021 8.8352 k = 0.1562 0.1631 0.6925 ( 2916 PWs) bands (ev): -13.9090 -13.9085 -13.6082 -13.6044 -13.3410 -13.3403 -13.2793 -13.2754 -6.1661 -6.1658 -1.7454 -1.7311 -0.9081 -0.9053 -0.6897 -0.6588 0.6130 0.6448 1.0289 1.0423 1.2313 1.2374 1.4587 1.4635 2.3469 2.3533 2.4991 2.5053 2.7644 2.7689 2.9662 2.9677 4.1077 4.1086 6.7408 6.7410 7.9371 7.9540 8.7666 8.8029 k = 0.1667 0.1739 0.6925 ( 2926 PWs) bands (ev): -13.9075 -13.9070 -13.6065 -13.6025 -13.3429 -13.3422 -13.2815 -13.2774 -6.1639 -6.1635 -1.7190 -1.7028 -0.9152 -0.9112 -0.7319 -0.7003 0.6310 0.6643 1.0197 1.0346 1.2455 1.2518 1.4503 1.4554 2.3548 2.3615 2.5050 2.5115 2.7437 2.7482 2.9599 2.9616 4.1201 4.1209 6.7369 6.7370 7.9771 7.9970 8.7292 8.7691 k = 0.1771 0.1848 0.6925 ( 2920 PWs) bands (ev): -13.9062 -13.9056 -13.6049 -13.6007 -13.3447 -13.3439 -13.2836 -13.2792 -6.1618 -6.1614 -1.6928 -1.6745 -0.9223 -0.9167 -0.7720 -0.7400 0.6478 0.6827 1.0104 1.0269 1.2598 1.2664 1.4412 1.4465 2.3630 2.3700 2.5105 2.5174 2.7237 2.7282 2.9540 2.9558 4.1314 4.1323 6.7332 6.7333 8.0176 8.0414 8.6900 8.7344 k = 0.1875 0.1957 0.6925 ( 2914 PWs) bands (ev): -13.9049 -13.9043 -13.6034 -13.5990 -13.3463 -13.3455 -13.2854 -13.2809 -6.1599 -6.1595 -1.6673 -1.6468 -0.9298 -0.9216 -0.8091 -0.7773 0.6631 0.6997 1.0013 1.0195 1.2744 1.2811 1.4314 1.4370 2.3713 2.3786 2.5156 2.5228 2.7049 2.7094 2.9485 2.9504 4.1416 4.1424 6.7298 6.7299 8.0581 8.0868 8.6492 8.6989 k = 0.1979 0.2066 0.6925 ( 2912 PWs) bands (ev): -13.9038 -13.9032 -13.6021 -13.5976 -13.3478 -13.3469 -13.2871 -13.2824 -6.1582 -6.1578 -1.6433 -1.6203 -0.9381 -0.9259 -0.8417 -0.8115 0.6768 0.7150 0.9926 1.0126 1.2889 1.2958 1.4211 1.4268 2.3795 2.3871 2.5201 2.5277 2.6876 2.6920 2.9436 2.9456 4.1504 4.1513 6.7268 6.7269 8.0978 8.1332 8.6069 8.6636 k = 0.2083 0.2174 0.6925 ( 2912 PWs) bands (ev): -13.9029 -13.9023 -13.6010 -13.5963 -13.3490 -13.3481 -13.2885 -13.2837 -6.1568 -6.1564 -1.6216 -1.5961 -0.9478 -0.9295 -0.8682 -0.8416 0.6884 0.7285 0.9846 1.0064 1.3034 1.3105 1.4101 1.4160 2.3872 2.3951 2.5240 2.5319 2.6723 2.6766 2.9393 2.9415 4.1578 4.1587 6.7243 6.7244 8.1358 8.1800 8.5635 8.6292 k = 0.2188 0.2283 0.6925 ( 2920 PWs) bands (ev): -13.9022 -13.9015 -13.6001 -13.5953 -13.3500 -13.3491 -13.2896 -13.2847 -6.1557 -6.1552 -1.6032 -1.5752 -0.9590 -0.9322 -0.8873 -0.8667 0.6979 0.7396 0.9777 1.0012 1.3177 1.3250 1.3986 1.4045 2.3940 2.4021 2.5271 2.5353 2.6595 2.6637 2.9359 2.9381 4.1637 4.1645 6.7222 6.7224 8.1705 8.2270 8.5191 8.5975 k = 0.2292 0.2392 0.6925 ( 2920 PWs) bands (ev): -13.9016 -13.9010 -13.5995 -13.5946 -13.3507 -13.3498 -13.2904 -13.2854 -6.1549 -6.1544 -1.5891 -1.5590 -0.9702 -0.9341 -0.8991 -0.8858 0.7049 0.7481 0.9723 0.9972 1.3318 1.3392 1.3866 1.3925 2.3994 2.4077 2.5293 2.5378 2.6498 2.6539 2.9333 2.9357 4.1680 4.1688 6.7208 6.7209 8.1993 8.2735 8.4746 8.5707 k = 0.2396 0.2500 0.6925 ( 2920 PWs) bands (ev): -13.9013 -13.9006 -13.5991 -13.5942 -13.3511 -13.3502 -13.2909 -13.2859 -6.1544 -6.1539 -1.5801 -1.5486 -0.9786 -0.9352 -0.9053 -0.8978 0.7092 0.7534 0.9688 0.9947 1.3451 1.3531 1.3745 1.3799 2.4029 2.4113 2.5307 2.5394 2.6438 2.6477 2.9318 2.9342 4.1705 4.1714 6.7199 6.7200 8.2191 8.3172 8.4321 8.5522 k = 0.2500 0.2609 0.6925 ( 2920 PWs) bands (ev): -13.9012 -13.9005 -13.5989 -13.5940 -13.3513 -13.3504 -13.2911 -13.2860 -6.1542 -6.1538 -1.5771 -1.5450 -0.9817 -0.9355 -0.9072 -0.9019 0.7106 0.7552 0.9676 0.9939 1.3539 1.3651 1.3661 1.3684 2.4041 2.4125 2.5311 2.5399 2.6417 2.6456 2.9313 2.9337 4.1714 4.1722 6.7196 6.7197 8.2263 8.3429 8.4067 8.5455 Writing output data file AlAsO4.save init_run : 3.72s CPU 12.08s WALL ( 1 calls) electrons : 320.14s CPU 324.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.46s CPU 1.91s WALL ( 1 calls) Called by electrons: c_bands : 320.11s CPU 324.67s WALL ( 1 calls) v_of_rho : 0.21s CPU 0.87s WALL ( 1 calls) v_h : 0.04s CPU 0.05s WALL ( 1 calls) v_xc : 0.17s CPU 0.62s WALL ( 1 calls) newd : 0.23s CPU 0.48s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.11s WALL ( 353 calls) cegterg : 297.22s CPU 299.50s WALL ( 460 calls) Called by sum_band: Called by *egterg: h_psi : 143.15s CPU 147.88s WALL ( 8796 calls) s_psi : 10.60s CPU 11.11s WALL ( 8796 calls) g_psi : 0.32s CPU 0.35s WALL ( 7983 calls) cdiaghg : 106.19s CPU 104.86s WALL ( 8336 calls) cegterg:over : 26.68s CPU 24.02s WALL ( 7983 calls) cegterg:upda : 3.59s CPU 5.72s WALL ( 7983 calls) cegterg:last : 3.76s CPU 4.46s WALL ( 1719 calls) Called by h_psi: h_psi:vloc : 116.63s CPU 120.56s WALL ( 8796 calls) h_psi:vnl : 26.37s CPU 26.88s WALL ( 8796 calls) add_vuspsi : 5.99s CPU 8.81s WALL ( 8796 calls) General routines calbec : 20.36s CPU 17.93s WALL ( 8796 calls) fft : 0.72s CPU 1.44s WALL ( 19 calls) ffts : 0.03s CPU 0.49s WALL ( 4 calls) fftw : 110.18s CPU 112.62s WALL ( 866312 calls) interpolate : 0.12s CPU 0.59s WALL ( 4 calls) davcio : 0.03s CPU 0.65s WALL ( 706 calls) Parallel routines fft_scatter : 78.35s CPU 80.01s WALL ( 866335 calls) PWSCF : 6m 6.01s CPU 7m18.63s WALL This run was terminated on: 12:56: 8 13Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=