Program PWSCF v.5.1.1 starts on 27Jul2015 at 20:30:52 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./AlF3.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 38 11 1744 868 136 Max 61 39 12 1748 880 139 Sum 1929 1229 359 55845 27971 4375 bravais-lattice index = 14 lattice parameter (alat) = 9.5034 a.u. unit-cell volume = 586.3675 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.503432 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.522201 celldm(5)= 0.522201 celldm(6)= 0.522201 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.522201 0.852822 0.000000 ) a(3) = ( 0.522201 0.292566 0.801069 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.612321 -0.428248 ) b(2) = ( 0.000000 1.172577 -0.428248 ) b(3) = ( 0.000000 0.000000 1.248332 ) PseudoPot. # 1 for F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Al read from file: /home/autes/Pseudo/Al.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: d18dd1d035d87b93e5ebab176be81bd5 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, 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 atomic species valence mass pseudopotential F 7.00 18.99840 F( 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= 288 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0128205 -0.0078503 -0.0054904), wk = 0.0034722 k( 3) = ( 0.0256410 -0.0157005 -0.0109807), wk = 0.0034722 k( 4) = ( 0.0384615 -0.0235508 -0.0164711), wk = 0.0034722 k( 5) = ( 0.0512821 -0.0314011 -0.0219615), wk = 0.0034722 k( 6) = ( 0.0641026 -0.0392513 -0.0274518), wk = 0.0034722 k( 7) = ( 0.0769231 -0.0471016 -0.0329422), wk = 0.0034722 k( 8) = ( 0.0897436 -0.0549519 -0.0384326), wk = 0.0034722 k( 9) = ( 0.1025641 -0.0628021 -0.0439229), wk = 0.0034722 k( 10) = ( 0.1153846 -0.0706524 -0.0494133), wk = 0.0034722 k( 11) = ( 0.1282051 -0.0785027 -0.0549037), wk = 0.0034722 k( 12) = ( 0.1410256 -0.0863529 -0.0603940), wk = 0.0034722 k( 13) = ( 0.1538461 -0.0942032 -0.0658844), wk = 0.0034722 k( 14) = ( 0.1666667 -0.1020535 -0.0713748), wk = 0.0034722 k( 15) = ( 0.1794872 -0.1099037 -0.0768651), wk = 0.0034722 k( 16) = ( 0.1923077 -0.1177540 -0.0823555), wk = 0.0034722 k( 17) = ( 0.2051282 -0.1256043 -0.0878458), wk = 0.0034722 k( 18) = ( 0.2179487 -0.1334545 -0.0933362), wk = 0.0034722 k( 19) = ( 0.2307692 -0.1413048 -0.0988266), wk = 0.0034722 k( 20) = ( 0.2435897 -0.1491551 -0.1043169), wk = 0.0034722 k( 21) = ( 0.2564103 -0.1570053 -0.1098073), wk = 0.0034722 k( 22) = ( 0.2692308 -0.1648556 -0.1152977), wk = 0.0034722 k( 23) = ( 0.2820513 -0.1727058 -0.1207880), wk = 0.0034722 k( 24) = ( 0.2948718 -0.1805561 -0.1262784), wk = 0.0034722 k( 25) = ( 0.3076923 -0.1884064 -0.1317688), wk = 0.0034722 k( 26) = ( 0.3205128 -0.1962566 -0.1372591), wk = 0.0034722 k( 27) = ( 0.3333333 -0.2041069 -0.1427495), wk = 0.0034722 k( 28) = ( 0.3461538 -0.2119572 -0.1482399), wk = 0.0034722 k( 29) = ( 0.3589744 -0.2198074 -0.1537302), wk = 0.0034722 k( 30) = ( 0.3717949 -0.2276577 -0.1592206), wk = 0.0034722 k( 31) = ( 0.3846154 -0.2355080 -0.1647110), wk = 0.0034722 k( 32) = ( 0.3974359 -0.2433582 -0.1702013), wk = 0.0034722 k( 33) = ( 0.4102564 -0.2512085 -0.1756917), wk = 0.0034722 k( 34) = ( 0.4230769 -0.2590588 -0.1811821), wk = 0.0034722 k( 35) = ( 0.4358974 -0.2669090 -0.1866724), wk = 0.0034722 k( 36) = ( 0.4487179 -0.2747593 -0.1921628), wk = 0.0034722 k( 37) = ( 0.4615385 -0.2826096 -0.1976531), wk = 0.0034722 k( 38) = ( 0.4743590 -0.2904598 -0.2031435), wk = 0.0034722 k( 39) = ( 0.4871795 -0.2983101 -0.2086339), wk = 0.0034722 k( 40) = ( 0.5000000 -0.3061604 -0.2141242), wk = 0.0034722 k( 41) = ( 0.5000000 -0.3061604 -0.2141242), wk = 0.0034722 k( 42) = ( 0.5000000 -0.2971986 -0.2269381), wk = 0.0034722 k( 43) = ( 0.5000000 -0.2882368 -0.2397519), wk = 0.0034722 k( 44) = ( 0.5000000 -0.2792750 -0.2525657), wk = 0.0034722 k( 45) = ( 0.5000000 -0.2703132 -0.2653795), wk = 0.0034722 k( 46) = ( 0.5000000 -0.2613514 -0.2781933), wk = 0.0034722 k( 47) = ( 0.5000000 -0.2523896 -0.2910071), wk = 0.0034722 k( 48) = ( 0.5000000 -0.2434278 -0.3038209), wk = 0.0034722 k( 49) = ( 0.5000000 -0.2344660 -0.3166347), wk = 0.0034722 k( 50) = ( 0.5000000 -0.2255042 -0.3294485), wk = 0.0034722 k( 51) = ( 0.5000000 -0.2165424 -0.3422623), wk = 0.0034722 k( 52) = ( 0.5000000 -0.2075806 -0.3550762), wk = 0.0034722 k( 53) = ( 0.5000000 -0.1986188 -0.3678900), wk = 0.0034722 k( 54) = ( 0.5000000 -0.1896570 -0.3807038), wk = 0.0034722 k( 55) = ( 0.5000000 -0.1806952 -0.3935176), wk = 0.0034722 k( 56) = ( 0.5000000 -0.1717334 -0.4063314), wk = 0.0034722 k( 57) = ( 0.5000000 -0.1627716 -0.4191452), wk = 0.0034722 k( 58) = ( 0.5000000 -0.1538098 -0.4319590), wk = 0.0034722 k( 59) = ( 0.5000000 -0.1448480 -0.4447728), wk = 0.0034722 k( 60) = ( 0.5000000 -0.1358862 -0.4575866), wk = 0.0034722 k( 61) = ( 0.5000000 -0.1269244 -0.4704004), wk = 0.0034722 k( 62) = ( 0.5000000 -0.1179626 -0.4832142), wk = 0.0034722 k( 63) = ( 0.5000000 -0.1090008 -0.4960280), wk = 0.0034722 k( 64) = ( 0.5000000 -0.1000390 -0.5088419), wk = 0.0034722 k( 65) = ( 0.5000000 -0.0910772 -0.5216557), wk = 0.0034722 k( 66) = ( 0.5000000 -0.0821154 -0.5344695), wk = 0.0034722 k( 67) = ( 0.5000000 -0.0731536 -0.5472833), wk = 0.0034722 k( 68) = ( 0.5000000 -0.0641918 -0.5600971), wk = 0.0034722 k( 69) = ( 0.5000000 -0.0552300 -0.5729109), wk = 0.0034722 k( 70) = ( 0.5000000 -0.0462682 -0.5857247), wk = 0.0034722 k( 71) = ( 0.5000000 -0.0373065 -0.5985385), wk = 0.0034722 k( 72) = ( 0.5000000 -0.0283446 -0.6113523), wk = 0.0034722 k( 73) = ( 0.5000000 -0.0193829 -0.6241661), wk = 0.0034722 k( 74) = ( 0.7554297 0.1237232 -0.2323308), wk = 0.0034722 k( 75) = ( 0.7476894 0.1284628 -0.2193536), wk = 0.0034722 k( 76) = ( 0.7399491 0.1332023 -0.2063764), wk = 0.0034722 k( 77) = ( 0.7322088 0.1379418 -0.1933992), wk = 0.0034722 k( 78) = ( 0.7244685 0.1426814 -0.1804219), wk = 0.0034722 k( 79) = ( 0.7167282 0.1474209 -0.1674447), wk = 0.0034722 k( 80) = ( 0.7089879 0.1521605 -0.1544675), wk = 0.0034722 k( 81) = ( 0.7012476 0.1569000 -0.1414903), wk = 0.0034722 k( 82) = ( 0.6935073 0.1616395 -0.1285130), wk = 0.0034722 k( 83) = ( 0.6857670 0.1663791 -0.1155358), wk = 0.0034722 k( 84) = ( 0.6780268 0.1711186 -0.1025586), wk = 0.0034722 k( 85) = ( 0.6702864 0.1758582 -0.0895813), wk = 0.0034722 k( 86) = ( 0.6625462 0.1805977 -0.0766041), wk = 0.0034722 k( 87) = ( 0.6548059 0.1853373 -0.0636269), wk = 0.0034722 k( 88) = ( 0.6470656 0.1900768 -0.0506497), wk = 0.0034722 k( 89) = ( 0.6393253 0.1948163 -0.0376724), wk = 0.0034722 k( 90) = ( 0.6315850 0.1995559 -0.0246952), wk = 0.0034722 k( 91) = ( 0.6238447 0.2042954 -0.0117180), wk = 0.0034722 k( 92) = ( 0.6161044 0.2090350 0.0012592), wk = 0.0034722 k( 93) = ( 0.6083641 0.2137745 0.0142365), wk = 0.0034722 k( 94) = ( 0.6006238 0.2185141 0.0272137), wk = 0.0034722 k( 95) = ( 0.5928835 0.2232536 0.0401909), wk = 0.0034722 k( 96) = ( 0.5851432 0.2279931 0.0531681), wk = 0.0034722 k( 97) = ( 0.5774029 0.2327327 0.0661454), wk = 0.0034722 k( 98) = ( 0.5696626 0.2374722 0.0791226), wk = 0.0034722 k( 99) = ( 0.5619224 0.2422118 0.0920998), wk = 0.0034722 k( 100) = ( 0.5541820 0.2469513 0.1050771), wk = 0.0034722 k( 101) = ( 0.5464418 0.2516908 0.1180543), wk = 0.0034722 k( 102) = ( 0.5387015 0.2564304 0.1310315), wk = 0.0034722 k( 103) = ( 0.5309612 0.2611699 0.1440087), wk = 0.0034722 k( 104) = ( 0.5232209 0.2659095 0.1569860), wk = 0.0034722 k( 105) = ( 0.5154806 0.2706490 0.1699632), wk = 0.0034722 k( 106) = ( 0.5077403 0.2753886 0.1829404), wk = 0.0034722 k( 107) = ( 0.5000000 0.2801281 0.1959176), wk = 0.0034722 k( 108) = ( 0.5000000 0.2801281 0.1959176), wk = 0.0034722 k( 109) = ( 0.4868421 0.2727563 0.1907619), wk = 0.0034722 k( 110) = ( 0.4736842 0.2653845 0.1856062), wk = 0.0034722 k( 111) = ( 0.4605263 0.2580127 0.1804505), wk = 0.0034722 k( 112) = ( 0.4473684 0.2506409 0.1752947), wk = 0.0034722 k( 113) = ( 0.4342105 0.2432691 0.1701390), wk = 0.0034722 k( 114) = ( 0.4210526 0.2358973 0.1649833), wk = 0.0034722 k( 115) = ( 0.4078947 0.2285256 0.1598276), wk = 0.0034722 k( 116) = ( 0.3947368 0.2211538 0.1546718), wk = 0.0034722 k( 117) = ( 0.3815789 0.2137820 0.1495161), wk = 0.0034722 k( 118) = ( 0.3684211 0.2064102 0.1443604), wk = 0.0034722 k( 119) = ( 0.3552632 0.1990384 0.1392046), wk = 0.0034722 k( 120) = ( 0.3421053 0.1916666 0.1340489), wk = 0.0034722 k( 121) = ( 0.3289474 0.1842948 0.1288932), wk = 0.0034722 k( 122) = ( 0.3157895 0.1769230 0.1237375), wk = 0.0034722 k( 123) = ( 0.3026316 0.1695512 0.1185817), wk = 0.0034722 k( 124) = ( 0.2894737 0.1621794 0.1134260), wk = 0.0034722 k( 125) = ( 0.2763158 0.1548076 0.1082703), wk = 0.0034722 k( 126) = ( 0.2631579 0.1474358 0.1031145), wk = 0.0034722 k( 127) = ( 0.2500000 0.1400641 0.0979588), wk = 0.0034722 k( 128) = ( 0.2368421 0.1326923 0.0928031), wk = 0.0034722 k( 129) = ( 0.2236842 0.1253205 0.0876474), wk = 0.0034722 k( 130) = ( 0.2105263 0.1179487 0.0824916), wk = 0.0034722 k( 131) = ( 0.1973684 0.1105769 0.0773359), wk = 0.0034722 k( 132) = ( 0.1842105 0.1032051 0.0721802), wk = 0.0034722 k( 133) = ( 0.1710526 0.0958333 0.0670245), wk = 0.0034722 k( 134) = ( 0.1578947 0.0884615 0.0618687), wk = 0.0034722 k( 135) = ( 0.1447368 0.0810897 0.0567130), wk = 0.0034722 k( 136) = ( 0.1315790 0.0737179 0.0515573), wk = 0.0034722 k( 137) = ( 0.1184210 0.0663461 0.0464015), wk = 0.0034722 k( 138) = ( 0.1052632 0.0589743 0.0412458), wk = 0.0034722 k( 139) = ( 0.0921053 0.0516025 0.0360901), wk = 0.0034722 k( 140) = ( 0.0789474 0.0442308 0.0309344), wk = 0.0034722 k( 141) = ( 0.0657895 0.0368590 0.0257786), wk = 0.0034722 k( 142) = ( 0.0526316 0.0294872 0.0206229), wk = 0.0034722 k( 143) = ( 0.0394737 0.0221154 0.0154672), wk = 0.0034722 k( 144) = ( 0.0263158 0.0147436 0.0103115), wk = 0.0034722 k( 145) = ( 0.0131579 0.0073718 0.0051557), wk = 0.0034722 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 148) = ( 0.0077559 -0.0047491 -0.0130035), wk = 0.0034722 k( 149) = ( 0.0155119 -0.0094982 -0.0260069), wk = 0.0034722 k( 150) = ( 0.0232678 -0.0142474 -0.0390104), wk = 0.0034722 k( 151) = ( 0.0310238 -0.0189965 -0.0520138), wk = 0.0034722 k( 152) = ( 0.0387797 -0.0237456 -0.0650173), wk = 0.0034722 k( 153) = ( 0.0465356 -0.0284947 -0.0780208), wk = 0.0034722 k( 154) = ( 0.0542916 -0.0332439 -0.0910242), wk = 0.0034722 k( 155) = ( 0.0620475 -0.0379930 -0.1040277), wk = 0.0034722 k( 156) = ( 0.0698035 -0.0427421 -0.1170312), wk = 0.0034722 k( 157) = ( 0.0775594 -0.0474912 -0.1300346), wk = 0.0034722 k( 158) = ( 0.0853153 -0.0522404 -0.1430381), wk = 0.0034722 k( 159) = ( 0.0930713 -0.0569895 -0.1560415), wk = 0.0034722 k( 160) = ( 0.1008272 -0.0617386 -0.1690450), wk = 0.0034722 k( 161) = ( 0.1085832 -0.0664877 -0.1820485), wk = 0.0034722 k( 162) = ( 0.1163391 -0.0712369 -0.1950519), wk = 0.0034722 k( 163) = ( 0.1240950 -0.0759860 -0.2080554), wk = 0.0034722 k( 164) = ( 0.1318510 -0.0807351 -0.2210588), wk = 0.0034722 k( 165) = ( 0.1396069 -0.0854842 -0.2340623), wk = 0.0034722 k( 166) = ( 0.1473629 -0.0902333 -0.2470658), wk = 0.0034722 k( 167) = ( 0.1551188 -0.0949825 -0.2600692), wk = 0.0034722 k( 168) = ( 0.1628748 -0.0997316 -0.2730727), wk = 0.0034722 k( 169) = ( 0.1706307 -0.1044807 -0.2860761), wk = 0.0034722 k( 170) = ( 0.1783866 -0.1092298 -0.2990796), wk = 0.0034722 k( 171) = ( 0.1861426 -0.1139790 -0.3120831), wk = 0.0034722 k( 172) = ( 0.1938985 -0.1187281 -0.3250865), wk = 0.0034722 k( 173) = ( 0.2016545 -0.1234772 -0.3380900), wk = 0.0034722 k( 174) = ( 0.2094104 -0.1282263 -0.3510934), wk = 0.0034722 k( 175) = ( 0.2171663 -0.1329755 -0.3640969), wk = 0.0034722 k( 176) = ( 0.2249223 -0.1377246 -0.3771004), wk = 0.0034722 k( 177) = ( 0.2326782 -0.1424737 -0.3901038), wk = 0.0034722 k( 178) = ( 0.2404342 -0.1472228 -0.4031073), wk = 0.0034722 k( 179) = ( 0.2481901 -0.1519720 -0.4161108), wk = 0.0034722 k( 180) = ( 0.2559460 -0.1567211 -0.4291142), wk = 0.0034722 k( 181) = ( 0.2637020 -0.1614702 -0.4421177), wk = 0.0034722 k( 182) = ( 0.2714579 -0.1662193 -0.4551211), wk = 0.0034722 k( 183) = ( 0.2792139 -0.1709684 -0.4681246), wk = 0.0034722 k( 184) = ( 0.2869698 -0.1757176 -0.4811281), wk = 0.0034722 k( 185) = ( 0.2947258 -0.1804667 -0.4941315), wk = 0.0034722 k( 186) = ( 0.3024817 -0.1852158 -0.5071350), wk = 0.0034722 k( 187) = ( 0.3102376 -0.1899649 -0.5201384), wk = 0.0034722 k( 188) = ( 0.3179936 -0.1947141 -0.5331419), wk = 0.0034722 k( 189) = ( 0.3257495 -0.1994632 -0.5461454), wk = 0.0034722 k( 190) = ( 0.3335054 -0.2042123 -0.5591488), wk = 0.0034722 k( 191) = ( 0.3412614 -0.2089614 -0.5721523), wk = 0.0034722 k( 192) = ( 0.3490173 -0.2137106 -0.5851558), wk = 0.0034722 k( 193) = ( 0.3567733 -0.2184597 -0.5981592), wk = 0.0034722 k( 194) = ( 0.3645292 -0.2232088 -0.6111627), wk = 0.0034722 k( 195) = ( 0.3722852 -0.2279579 -0.6241661), wk = 0.0034722 k( 196) = ( 0.6277148 0.0521702 -0.4282485), wk = 0.0034722 k( 197) = ( 0.6202022 0.0655795 -0.4282485), wk = 0.0034722 k( 198) = ( 0.6126896 0.0789887 -0.4282485), wk = 0.0034722 k( 199) = ( 0.6051769 0.0923980 -0.4282485), wk = 0.0034722 k( 200) = ( 0.5976643 0.1058073 -0.4282485), wk = 0.0034722 k( 201) = ( 0.5901517 0.1192166 -0.4282485), wk = 0.0034722 k( 202) = ( 0.5826390 0.1326259 -0.4282485), wk = 0.0034722 k( 203) = ( 0.5751264 0.1460352 -0.4282485), wk = 0.0034722 k( 204) = ( 0.5676137 0.1594445 -0.4282485), wk = 0.0034722 k( 205) = ( 0.5601011 0.1728538 -0.4282485), wk = 0.0034722 k( 206) = ( 0.5525885 0.1862631 -0.4282485), wk = 0.0034722 k( 207) = ( 0.5450758 0.1996724 -0.4282485), wk = 0.0034722 k( 208) = ( 0.5375632 0.2130817 -0.4282485), wk = 0.0034722 k( 209) = ( 0.5300506 0.2264909 -0.4282485), wk = 0.0034722 k( 210) = ( 0.5225379 0.2399002 -0.4282485), wk = 0.0034722 k( 211) = ( 0.5150253 0.2533095 -0.4282485), wk = 0.0034722 k( 212) = ( 0.5075126 0.2667188 -0.4282485), wk = 0.0034722 k( 213) = ( 0.5000000 0.2801281 -0.4282485), wk = 0.0034722 k( 214) = ( 0.5000000 0.2801281 -0.4282485), wk = 0.0034722 k( 215) = ( 0.5079822 0.2846002 -0.4160036), wk = 0.0034722 k( 216) = ( 0.5159644 0.2890722 -0.4037588), wk = 0.0034722 k( 217) = ( 0.5239465 0.2935443 -0.3915139), wk = 0.0034722 k( 218) = ( 0.5319287 0.2980164 -0.3792691), wk = 0.0034722 k( 219) = ( 0.5399109 0.3024884 -0.3670242), wk = 0.0034722 k( 220) = ( 0.5478931 0.3069605 -0.3547794), wk = 0.0034722 k( 221) = ( 0.5558752 0.3114326 -0.3425345), wk = 0.0034722 k( 222) = ( 0.5638574 0.3159046 -0.3302897), wk = 0.0034722 k( 223) = ( 0.5718396 0.3203767 -0.3180448), wk = 0.0034722 k( 224) = ( 0.5798218 0.3248487 -0.3058000), wk = 0.0034722 k( 225) = ( 0.5878039 0.3293208 -0.2935551), wk = 0.0034722 k( 226) = ( 0.5957861 0.3337929 -0.2813103), wk = 0.0034722 k( 227) = ( 0.6037683 0.3382649 -0.2690654), wk = 0.0034722 k( 228) = ( 0.6117505 0.3427370 -0.2568206), wk = 0.0034722 k( 229) = ( 0.6197327 0.3472091 -0.2445757), wk = 0.0034722 k( 230) = ( 0.6277148 0.3516811 -0.2323308), wk = 0.0034722 k( 231) = ( 0.6277148 0.3516811 -0.2323308), wk = 0.0034722 k( 232) = ( 0.6233109 0.3492138 -0.2175637), wk = 0.0034722 k( 233) = ( 0.6189069 0.3467464 -0.2027965), wk = 0.0034722 k( 234) = ( 0.6145030 0.3442791 -0.1880293), wk = 0.0034722 k( 235) = ( 0.6100990 0.3418117 -0.1732621), wk = 0.0034722 k( 236) = ( 0.6056950 0.3393444 -0.1584949), wk = 0.0034722 k( 237) = ( 0.6012911 0.3368771 -0.1437277), wk = 0.0034722 k( 238) = ( 0.5968871 0.3344097 -0.1289605), wk = 0.0034722 k( 239) = ( 0.5924832 0.3319424 -0.1141933), wk = 0.0034722 k( 240) = ( 0.5880792 0.3294750 -0.0994261), wk = 0.0034722 k( 241) = ( 0.5836752 0.3270077 -0.0846590), wk = 0.0034722 k( 242) = ( 0.5792713 0.3245403 -0.0698918), wk = 0.0034722 k( 243) = ( 0.5748673 0.3220730 -0.0551246), wk = 0.0034722 k( 244) = ( 0.5704634 0.3196056 -0.0403574), wk = 0.0034722 k( 245) = ( 0.5660594 0.3171383 -0.0255902), wk = 0.0034722 k( 246) = ( 0.5616554 0.3146709 -0.0108230), wk = 0.0034722 k( 247) = ( 0.5572515 0.3122036 0.0039442), wk = 0.0034722 k( 248) = ( 0.5528475 0.3097363 0.0187114), wk = 0.0034722 k( 249) = ( 0.5484436 0.3072689 0.0334786), wk = 0.0034722 k( 250) = ( 0.5440396 0.3048016 0.0482458), wk = 0.0034722 k( 251) = ( 0.5396356 0.3023342 0.0630129), wk = 0.0034722 k( 252) = ( 0.5352317 0.2998669 0.0777801), wk = 0.0034722 k( 253) = ( 0.5308277 0.2973995 0.0925473), wk = 0.0034722 k( 254) = ( 0.5264238 0.2949322 0.1073145), wk = 0.0034722 k( 255) = ( 0.5220198 0.2924648 0.1220817), wk = 0.0034722 k( 256) = ( 0.5176158 0.2899975 0.1368489), wk = 0.0034722 k( 257) = ( 0.5132119 0.2875301 0.1516161), wk = 0.0034722 k( 258) = ( 0.5088079 0.2850628 0.1663833), wk = 0.0034722 k( 259) = ( 0.5044040 0.2825954 0.1811505), wk = 0.0034722 k( 260) = ( 0.5000000 0.2801281 0.1959176), wk = 0.0034722 k( 261) = ( 0.5000000 -0.3061604 -0.2141242), wk = 0.0034722 k( 262) = ( 0.5094604 -0.2957853 -0.2068680), wk = 0.0034722 k( 263) = ( 0.5189207 -0.2854101 -0.1996118), wk = 0.0034722 k( 264) = ( 0.5283811 -0.2750350 -0.1923556), wk = 0.0034722 k( 265) = ( 0.5378414 -0.2646599 -0.1850994), wk = 0.0034722 k( 266) = ( 0.5473018 -0.2542848 -0.1778432), wk = 0.0034722 k( 267) = ( 0.5567621 -0.2439097 -0.1705870), wk = 0.0034722 k( 268) = ( 0.5662225 -0.2335346 -0.1633308), wk = 0.0034722 k( 269) = ( 0.5756829 -0.2231595 -0.1560746), wk = 0.0034722 k( 270) = ( 0.5851432 -0.2127843 -0.1488184), wk = 0.0034722 k( 271) = ( 0.5946036 -0.2024092 -0.1415622), wk = 0.0034722 k( 272) = ( 0.6040639 -0.1920341 -0.1343059), wk = 0.0034722 k( 273) = ( 0.6135243 -0.1816590 -0.1270497), wk = 0.0034722 k( 274) = ( 0.6229847 -0.1712839 -0.1197935), wk = 0.0034722 k( 275) = ( 0.6324450 -0.1609088 -0.1125373), wk = 0.0034722 k( 276) = ( 0.6419054 -0.1505336 -0.1052811), wk = 0.0034722 k( 277) = ( 0.6513657 -0.1401585 -0.0980249), wk = 0.0034722 k( 278) = ( 0.6608261 -0.1297834 -0.0907687), wk = 0.0034722 k( 279) = ( 0.6702864 -0.1194083 -0.0835125), wk = 0.0034722 k( 280) = ( 0.6797468 -0.1090332 -0.0762563), wk = 0.0034722 k( 281) = ( 0.6892072 -0.0986581 -0.0690001), wk = 0.0034722 k( 282) = ( 0.6986675 -0.0882830 -0.0617439), wk = 0.0034722 k( 283) = ( 0.7081279 -0.0779078 -0.0544876), wk = 0.0034722 k( 284) = ( 0.7175883 -0.0675327 -0.0472314), wk = 0.0034722 k( 285) = ( 0.7270486 -0.0571576 -0.0399752), wk = 0.0034722 k( 286) = ( 0.7365090 -0.0467825 -0.0327190), wk = 0.0034722 k( 287) = ( 0.7459693 -0.0364074 -0.0254628), wk = 0.0034722 k( 288) = ( 0.7554297 -0.0260323 -0.0182066), wk = 0.0034722 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0128205 0.0000000 -0.0000000), wk = 0.0034722 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0034722 k( 4) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0034722 k( 5) = ( 0.0512821 0.0000000 0.0000000), wk = 0.0034722 k( 6) = ( 0.0641026 0.0000000 0.0000000), wk = 0.0034722 k( 7) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0034722 k( 8) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0034722 k( 9) = ( 0.1025641 0.0000000 0.0000000), wk = 0.0034722 k( 10) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0034722 k( 11) = ( 0.1282051 0.0000000 -0.0000000), wk = 0.0034722 k( 12) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0034722 k( 13) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0034722 k( 14) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0034722 k( 15) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0034722 k( 16) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0034722 k( 17) = ( 0.2051282 0.0000000 -0.0000000), wk = 0.0034722 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0034722 k( 19) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0034722 k( 20) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0034722 k( 21) = ( 0.2564103 0.0000000 -0.0000000), wk = 0.0034722 k( 22) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0034722 k( 23) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0034722 k( 24) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0034722 k( 25) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0034722 k( 26) = ( 0.3205128 0.0000000 0.0000000), wk = 0.0034722 k( 27) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0034722 k( 28) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0034722 k( 29) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0034722 k( 30) = ( 0.3717949 0.0000000 0.0000000), wk = 0.0034722 k( 31) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0034722 k( 32) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0034722 k( 33) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0034722 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0034722 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0034722 k( 36) = ( 0.4487179 0.0000000 -0.0000000), wk = 0.0034722 k( 37) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0034722 k( 38) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0034722 k( 39) = ( 0.4871795 0.0000000 0.0000000), wk = 0.0034722 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 42) = ( 0.5000000 0.0076428 -0.0076428), wk = 0.0034722 k( 43) = ( 0.5000000 0.0152856 -0.0152856), wk = 0.0034722 k( 44) = ( 0.5000000 0.0229285 -0.0229285), wk = 0.0034722 k( 45) = ( 0.5000000 0.0305713 -0.0305713), wk = 0.0034722 k( 46) = ( 0.5000000 0.0382141 -0.0382141), wk = 0.0034722 k( 47) = ( 0.5000000 0.0458569 -0.0458569), wk = 0.0034722 k( 48) = ( 0.5000000 0.0534998 -0.0534998), wk = 0.0034722 k( 49) = ( 0.5000000 0.0611426 -0.0611426), wk = 0.0034722 k( 50) = ( 0.5000000 0.0687854 -0.0687854), wk = 0.0034722 k( 51) = ( 0.5000000 0.0764282 -0.0764282), wk = 0.0034722 k( 52) = ( 0.5000000 0.0840711 -0.0840710), wk = 0.0034722 k( 53) = ( 0.5000000 0.0917139 -0.0917139), wk = 0.0034722 k( 54) = ( 0.5000000 0.0993567 -0.0993567), wk = 0.0034722 k( 55) = ( 0.5000000 0.1069995 -0.1069995), wk = 0.0034722 k( 56) = ( 0.5000000 0.1146423 -0.1146423), wk = 0.0034722 k( 57) = ( 0.5000000 0.1222852 -0.1222852), wk = 0.0034722 k( 58) = ( 0.5000000 0.1299280 -0.1299280), wk = 0.0034722 k( 59) = ( 0.5000000 0.1375708 -0.1375708), wk = 0.0034722 k( 60) = ( 0.5000000 0.1452136 -0.1452136), wk = 0.0034722 k( 61) = ( 0.5000000 0.1528565 -0.1528564), wk = 0.0034722 k( 62) = ( 0.5000000 0.1604993 -0.1604993), wk = 0.0034722 k( 63) = ( 0.5000000 0.1681421 -0.1681421), wk = 0.0034722 k( 64) = ( 0.5000000 0.1757849 -0.1757849), wk = 0.0034722 k( 65) = ( 0.5000000 0.1834277 -0.1834277), wk = 0.0034722 k( 66) = ( 0.5000000 0.1910706 -0.1910706), wk = 0.0034722 k( 67) = ( 0.5000000 0.1987134 -0.1987134), wk = 0.0034722 k( 68) = ( 0.5000000 0.2063562 -0.2063562), wk = 0.0034722 k( 69) = ( 0.5000000 0.2139990 -0.2139990), wk = 0.0034722 k( 70) = ( 0.5000000 0.2216419 -0.2216418), wk = 0.0034722 k( 71) = ( 0.5000000 0.2292847 -0.2292847), wk = 0.0034722 k( 72) = ( 0.5000000 0.2369275 -0.2369275), wk = 0.0034722 k( 73) = ( 0.5000000 0.2445703 -0.2445703), wk = 0.0034722 k( 74) = ( 0.7554297 0.5000000 0.2445703), wk = 0.0034722 k( 75) = ( 0.7476894 0.5000000 0.2523106), wk = 0.0034722 k( 76) = ( 0.7399491 0.5000000 0.2600509), wk = 0.0034722 k( 77) = ( 0.7322088 0.5000000 0.2677912), wk = 0.0034722 k( 78) = ( 0.7244685 0.5000000 0.2755315), wk = 0.0034722 k( 79) = ( 0.7167282 0.5000000 0.2832718), wk = 0.0034722 k( 80) = ( 0.7089879 0.5000000 0.2910121), wk = 0.0034722 k( 81) = ( 0.7012476 0.5000000 0.2987524), wk = 0.0034722 k( 82) = ( 0.6935073 0.5000000 0.3064927), wk = 0.0034722 k( 83) = ( 0.6857670 0.5000000 0.3142330), wk = 0.0034722 k( 84) = ( 0.6780268 0.5000000 0.3219732), wk = 0.0034722 k( 85) = ( 0.6702864 0.5000000 0.3297136), wk = 0.0034722 k( 86) = ( 0.6625462 0.5000000 0.3374538), wk = 0.0034722 k( 87) = ( 0.6548059 0.5000000 0.3451941), wk = 0.0034722 k( 88) = ( 0.6470656 0.5000000 0.3529344), wk = 0.0034722 k( 89) = ( 0.6393253 0.5000000 0.3606747), wk = 0.0034722 k( 90) = ( 0.6315850 0.5000000 0.3684150), wk = 0.0034722 k( 91) = ( 0.6238447 0.5000000 0.3761553), wk = 0.0034722 k( 92) = ( 0.6161044 0.5000000 0.3838956), wk = 0.0034722 k( 93) = ( 0.6083641 0.5000000 0.3916359), wk = 0.0034722 k( 94) = ( 0.6006238 0.5000000 0.3993762), wk = 0.0034722 k( 95) = ( 0.5928835 0.5000000 0.4071165), wk = 0.0034722 k( 96) = ( 0.5851432 0.5000000 0.4148568), wk = 0.0034722 k( 97) = ( 0.5774029 0.5000000 0.4225971), wk = 0.0034722 k( 98) = ( 0.5696626 0.5000000 0.4303374), wk = 0.0034722 k( 99) = ( 0.5619224 0.5000000 0.4380776), wk = 0.0034722 k( 100) = ( 0.5541820 0.5000000 0.4458179), wk = 0.0034722 k( 101) = ( 0.5464418 0.5000000 0.4535582), wk = 0.0034722 k( 102) = ( 0.5387015 0.5000000 0.4612985), wk = 0.0034722 k( 103) = ( 0.5309612 0.5000000 0.4690388), wk = 0.0034722 k( 104) = ( 0.5232209 0.5000000 0.4767791), wk = 0.0034722 k( 105) = ( 0.5154806 0.5000000 0.4845194), wk = 0.0034722 k( 106) = ( 0.5077403 0.5000000 0.4922597), wk = 0.0034722 k( 107) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 108) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 109) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0034722 k( 110) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0034722 k( 111) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0034722 k( 112) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0034722 k( 113) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0034722 k( 114) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0034722 k( 115) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0034722 k( 116) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0034722 k( 117) = ( 0.3815789 0.3815789 0.3815789), wk = 0.0034722 k( 118) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0034722 k( 119) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0034722 k( 120) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0034722 k( 121) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0034722 k( 122) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0034722 k( 123) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0034722 k( 124) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0034722 k( 125) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0034722 k( 126) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0034722 k( 127) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034722 k( 128) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0034722 k( 129) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0034722 k( 130) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0034722 k( 131) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0034722 k( 132) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0034722 k( 133) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0034722 k( 134) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0034722 k( 135) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0034722 k( 136) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0034722 k( 137) = ( 0.1184210 0.1184210 0.1184211), wk = 0.0034722 k( 138) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0034722 k( 139) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0034722 k( 140) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0034722 k( 141) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0034722 k( 142) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0034722 k( 143) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0034722 k( 144) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0034722 k( 145) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0034722 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 148) = ( 0.0077559 0.0000000 -0.0077559), wk = 0.0034722 k( 149) = ( 0.0155119 0.0000000 -0.0155119), wk = 0.0034722 k( 150) = ( 0.0232678 0.0000000 -0.0232678), wk = 0.0034722 k( 151) = ( 0.0310238 0.0000000 -0.0310238), wk = 0.0034722 k( 152) = ( 0.0387797 0.0000000 -0.0387797), wk = 0.0034722 k( 153) = ( 0.0465356 0.0000000 -0.0465356), wk = 0.0034722 k( 154) = ( 0.0542916 0.0000000 -0.0542916), wk = 0.0034722 k( 155) = ( 0.0620475 0.0000000 -0.0620475), wk = 0.0034722 k( 156) = ( 0.0698035 0.0000000 -0.0698035), wk = 0.0034722 k( 157) = ( 0.0775594 0.0000000 -0.0775594), wk = 0.0034722 k( 158) = ( 0.0853153 0.0000000 -0.0853153), wk = 0.0034722 k( 159) = ( 0.0930713 0.0000000 -0.0930713), wk = 0.0034722 k( 160) = ( 0.1008272 0.0000000 -0.1008272), wk = 0.0034722 k( 161) = ( 0.1085832 0.0000000 -0.1085832), wk = 0.0034722 k( 162) = ( 0.1163391 0.0000000 -0.1163391), wk = 0.0034722 k( 163) = ( 0.1240950 0.0000000 -0.1240950), wk = 0.0034722 k( 164) = ( 0.1318510 0.0000000 -0.1318510), wk = 0.0034722 k( 165) = ( 0.1396069 0.0000000 -0.1396069), wk = 0.0034722 k( 166) = ( 0.1473629 0.0000000 -0.1473629), wk = 0.0034722 k( 167) = ( 0.1551188 0.0000000 -0.1551188), wk = 0.0034722 k( 168) = ( 0.1628748 0.0000000 -0.1628748), wk = 0.0034722 k( 169) = ( 0.1706307 0.0000000 -0.1706307), wk = 0.0034722 k( 170) = ( 0.1783866 0.0000000 -0.1783866), wk = 0.0034722 k( 171) = ( 0.1861426 0.0000000 -0.1861426), wk = 0.0034722 k( 172) = ( 0.1938985 0.0000000 -0.1938985), wk = 0.0034722 k( 173) = ( 0.2016545 0.0000000 -0.2016545), wk = 0.0034722 k( 174) = ( 0.2094104 0.0000000 -0.2094104), wk = 0.0034722 k( 175) = ( 0.2171663 0.0000000 -0.2171663), wk = 0.0034722 k( 176) = ( 0.2249223 0.0000000 -0.2249223), wk = 0.0034722 k( 177) = ( 0.2326782 0.0000000 -0.2326782), wk = 0.0034722 k( 178) = ( 0.2404342 0.0000000 -0.2404342), wk = 0.0034722 k( 179) = ( 0.2481901 0.0000000 -0.2481901), wk = 0.0034722 k( 180) = ( 0.2559460 0.0000000 -0.2559460), wk = 0.0034722 k( 181) = ( 0.2637020 0.0000000 -0.2637020), wk = 0.0034722 k( 182) = ( 0.2714579 0.0000000 -0.2714579), wk = 0.0034722 k( 183) = ( 0.2792139 0.0000000 -0.2792139), wk = 0.0034722 k( 184) = ( 0.2869698 0.0000000 -0.2869698), wk = 0.0034722 k( 185) = ( 0.2947258 0.0000000 -0.2947258), wk = 0.0034722 k( 186) = ( 0.3024817 0.0000000 -0.3024817), wk = 0.0034722 k( 187) = ( 0.3102376 0.0000000 -0.3102376), wk = 0.0034722 k( 188) = ( 0.3179936 0.0000000 -0.3179936), wk = 0.0034722 k( 189) = ( 0.3257495 0.0000000 -0.3257495), wk = 0.0034722 k( 190) = ( 0.3335054 0.0000000 -0.3335054), wk = 0.0034722 k( 191) = ( 0.3412614 0.0000000 -0.3412614), wk = 0.0034722 k( 192) = ( 0.3490173 0.0000000 -0.3490173), wk = 0.0034722 k( 193) = ( 0.3567733 0.0000000 -0.3567733), wk = 0.0034722 k( 194) = ( 0.3645292 0.0000000 -0.3645292), wk = 0.0034722 k( 195) = ( 0.3722852 0.0000000 -0.3722852), wk = 0.0034722 k( 196) = ( 0.6277148 0.3722852 0.0000000), wk = 0.0034722 k( 197) = ( 0.6202022 0.3797978 0.0000000), wk = 0.0034722 k( 198) = ( 0.6126896 0.3873104 0.0000000), wk = 0.0034722 k( 199) = ( 0.6051769 0.3948231 0.0000000), wk = 0.0034722 k( 200) = ( 0.5976643 0.4023357 0.0000000), wk = 0.0034722 k( 201) = ( 0.5901517 0.4098483 0.0000000), wk = 0.0034722 k( 202) = ( 0.5826390 0.4173610 0.0000000), wk = 0.0034722 k( 203) = ( 0.5751264 0.4248736 0.0000000), wk = 0.0034722 k( 204) = ( 0.5676137 0.4323863 0.0000000), wk = 0.0034722 k( 205) = ( 0.5601011 0.4398989 0.0000000), wk = 0.0034722 k( 206) = ( 0.5525885 0.4474115 0.0000000), wk = 0.0034722 k( 207) = ( 0.5450758 0.4549242 0.0000000), wk = 0.0034722 k( 208) = ( 0.5375632 0.4624368 0.0000000), wk = 0.0034722 k( 209) = ( 0.5300506 0.4699494 0.0000000), wk = 0.0034722 k( 210) = ( 0.5225379 0.4774621 0.0000000), wk = 0.0034722 k( 211) = ( 0.5150253 0.4849747 0.0000000), wk = 0.0034722 k( 212) = ( 0.5075126 0.4924874 0.0000000), wk = 0.0034722 k( 213) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034722 k( 214) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034722 k( 215) = ( 0.5079822 0.5079822 0.0152856), wk = 0.0034722 k( 216) = ( 0.5159644 0.5159644 0.0305713), wk = 0.0034722 k( 217) = ( 0.5239465 0.5239465 0.0458569), wk = 0.0034722 k( 218) = ( 0.5319287 0.5319287 0.0611426), wk = 0.0034722 k( 219) = ( 0.5399109 0.5399109 0.0764282), wk = 0.0034722 k( 220) = ( 0.5478931 0.5478931 0.0917139), wk = 0.0034722 k( 221) = ( 0.5558752 0.5558752 0.1069995), wk = 0.0034722 k( 222) = ( 0.5638574 0.5638574 0.1222852), wk = 0.0034722 k( 223) = ( 0.5718396 0.5718396 0.1375708), wk = 0.0034722 k( 224) = ( 0.5798218 0.5798218 0.1528565), wk = 0.0034722 k( 225) = ( 0.5878039 0.5878039 0.1681421), wk = 0.0034722 k( 226) = ( 0.5957861 0.5957861 0.1834277), wk = 0.0034722 k( 227) = ( 0.6037683 0.6037683 0.1987134), wk = 0.0034722 k( 228) = ( 0.6117505 0.6117505 0.2139990), wk = 0.0034722 k( 229) = ( 0.6197327 0.6197327 0.2292847), wk = 0.0034722 k( 230) = ( 0.6277148 0.6277148 0.2445703), wk = 0.0034722 k( 231) = ( 0.6277148 0.6277148 0.2445703), wk = 0.0034722 k( 232) = ( 0.6233109 0.6233109 0.2533782), wk = 0.0034722 k( 233) = ( 0.6189069 0.6189069 0.2621862), wk = 0.0034722 k( 234) = ( 0.6145030 0.6145030 0.2709941), wk = 0.0034722 k( 235) = ( 0.6100990 0.6100990 0.2798020), wk = 0.0034722 k( 236) = ( 0.6056950 0.6056950 0.2886099), wk = 0.0034722 k( 237) = ( 0.6012911 0.6012911 0.2974178), wk = 0.0034722 k( 238) = ( 0.5968871 0.5968871 0.3062258), wk = 0.0034722 k( 239) = ( 0.5924832 0.5924832 0.3150337), wk = 0.0034722 k( 240) = ( 0.5880792 0.5880792 0.3238416), wk = 0.0034722 k( 241) = ( 0.5836752 0.5836752 0.3326495), wk = 0.0034722 k( 242) = ( 0.5792713 0.5792713 0.3414574), wk = 0.0034722 k( 243) = ( 0.5748673 0.5748673 0.3502654), wk = 0.0034722 k( 244) = ( 0.5704634 0.5704634 0.3590733), wk = 0.0034722 k( 245) = ( 0.5660594 0.5660594 0.3678812), wk = 0.0034722 k( 246) = ( 0.5616554 0.5616554 0.3766891), wk = 0.0034722 k( 247) = ( 0.5572515 0.5572515 0.3854970), wk = 0.0034722 k( 248) = ( 0.5528475 0.5528475 0.3943050), wk = 0.0034722 k( 249) = ( 0.5484436 0.5484436 0.4031129), wk = 0.0034722 k( 250) = ( 0.5440396 0.5440396 0.4119208), wk = 0.0034722 k( 251) = ( 0.5396356 0.5396356 0.4207287), wk = 0.0034722 k( 252) = ( 0.5352317 0.5352317 0.4295366), wk = 0.0034722 k( 253) = ( 0.5308277 0.5308277 0.4383446), wk = 0.0034722 k( 254) = ( 0.5264238 0.5264238 0.4471525), wk = 0.0034722 k( 255) = ( 0.5220198 0.5220198 0.4559604), wk = 0.0034722 k( 256) = ( 0.5176158 0.5176158 0.4647683), wk = 0.0034722 k( 257) = ( 0.5132119 0.5132119 0.4735762), wk = 0.0034722 k( 258) = ( 0.5088079 0.5088079 0.4823842), wk = 0.0034722 k( 259) = ( 0.5044040 0.5044040 0.4911921), wk = 0.0034722 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 261) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0034722 k( 262) = ( 0.5094604 0.0137883 0.0137883), wk = 0.0034722 k( 263) = ( 0.5189207 0.0275767 0.0275767), wk = 0.0034722 k( 264) = ( 0.5283811 0.0413650 0.0413650), wk = 0.0034722 k( 265) = ( 0.5378414 0.0551534 0.0551534), wk = 0.0034722 k( 266) = ( 0.5473018 0.0689417 0.0689417), wk = 0.0034722 k( 267) = ( 0.5567621 0.0827300 0.0827300), wk = 0.0034722 k( 268) = ( 0.5662225 0.0965184 0.0965184), wk = 0.0034722 k( 269) = ( 0.5756829 0.1103067 0.1103067), wk = 0.0034722 k( 270) = ( 0.5851432 0.1240951 0.1240951), wk = 0.0034722 k( 271) = ( 0.5946036 0.1378834 0.1378834), wk = 0.0034722 k( 272) = ( 0.6040639 0.1516717 0.1516717), wk = 0.0034722 k( 273) = ( 0.6135243 0.1654601 0.1654601), wk = 0.0034722 k( 274) = ( 0.6229847 0.1792484 0.1792484), wk = 0.0034722 k( 275) = ( 0.6324450 0.1930368 0.1930368), wk = 0.0034722 k( 276) = ( 0.6419054 0.2068251 0.2068251), wk = 0.0034722 k( 277) = ( 0.6513657 0.2206134 0.2206134), wk = 0.0034722 k( 278) = ( 0.6608261 0.2344018 0.2344018), wk = 0.0034722 k( 279) = ( 0.6702864 0.2481901 0.2481901), wk = 0.0034722 k( 280) = ( 0.6797468 0.2619784 0.2619784), wk = 0.0034722 k( 281) = ( 0.6892072 0.2757668 0.2757668), wk = 0.0034722 k( 282) = ( 0.6986675 0.2895551 0.2895551), wk = 0.0034722 k( 283) = ( 0.7081279 0.3033435 0.3033435), wk = 0.0034722 k( 284) = ( 0.7175883 0.3171318 0.3171318), wk = 0.0034722 k( 285) = ( 0.7270486 0.3309201 0.3309201), wk = 0.0034722 k( 286) = ( 0.7365090 0.3447085 0.3447085), wk = 0.0034722 k( 287) = ( 0.7459693 0.3584968 0.3584968), wk = 0.0034722 k( 288) = ( 0.7554297 0.3722852 0.3722852), wk = 0.0034722 Dense grid: 55845 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 27971 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 236, 58) NL pseudopotentials 0.20 Mb ( 118, 112) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1748) G-vector shells 0.01 Mb ( 1379) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.84 Mb ( 236, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.20 Mb ( 112, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./AlF3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.2 secs Computing kpt #: 7 total cpu time spent up to now is 9.2 secs Computing kpt #: 8 total cpu time spent up to now is 10.2 secs Computing kpt #: 9 total cpu time spent up to now is 11.2 secs Computing kpt #: 10 total cpu time spent up to now is 12.3 secs Computing kpt #: 11 total cpu time spent up to now is 13.3 secs Computing kpt #: 12 total cpu time spent up to now is 14.4 secs Computing kpt #: 13 total cpu time spent up to now is 15.4 secs Computing kpt #: 14 total cpu time spent up to now is 16.4 secs Computing kpt #: 15 total cpu time spent up to now is 17.4 secs Computing kpt #: 16 total cpu time spent up to now is 18.4 secs Computing kpt #: 17 total cpu time spent up to now is 19.4 secs Computing kpt #: 18 total cpu time spent up to now is 20.4 secs Computing kpt #: 19 total cpu time spent up to now is 21.4 secs Computing kpt #: 20 total cpu time spent up to now is 22.4 secs Computing kpt #: 21 total cpu time spent up to now is 23.4 secs Computing kpt #: 22 total cpu time spent up to now is 24.4 secs Computing kpt #: 23 total cpu time spent up to now is 25.4 secs Computing kpt #: 24 total cpu time spent up to now is 26.4 secs Computing kpt #: 25 total cpu time spent up to now is 27.4 secs Computing kpt #: 26 total cpu time spent up to now is 28.4 secs Computing kpt #: 27 total cpu time spent up to now is 29.4 secs Computing kpt #: 28 total cpu time spent up to now is 30.5 secs Computing kpt #: 29 total cpu time spent up to now is 31.5 secs Computing kpt #: 30 total cpu time spent up to now is 32.5 secs Computing kpt #: 31 total cpu time spent up to now is 33.6 secs Computing kpt #: 32 total cpu time spent up to now is 34.6 secs Computing kpt #: 33 total cpu time spent up to now is 35.7 secs Computing kpt #: 34 total cpu time spent up to now is 36.7 secs Computing kpt #: 35 total cpu time spent up to now is 37.8 secs Computing kpt #: 36 total cpu time spent up to now is 38.9 secs Computing kpt #: 37 total cpu time spent up to now is 40.0 secs Computing kpt #: 38 total cpu time spent up to now is 41.0 secs Computing kpt #: 39 total cpu time spent up to now is 42.1 secs Computing kpt #: 40 total cpu time spent up to now is 43.1 secs Computing kpt #: 41 total cpu time spent up to now is 44.1 secs Computing kpt #: 42 total cpu time spent up to now is 45.1 secs Computing kpt #: 43 total cpu time spent up to now is 46.2 secs Computing kpt #: 44 total cpu time spent up to now is 47.2 secs Computing kpt #: 45 total cpu time spent up to now is 48.2 secs Computing kpt #: 46 total cpu time spent up to now is 49.3 secs Computing kpt #: 47 total cpu time spent up to now is 50.3 secs Computing kpt #: 48 total cpu time spent up to now is 51.3 secs Computing kpt #: 49 total cpu time spent up to now is 52.3 secs Computing kpt #: 50 total cpu time spent up to now is 53.4 secs Computing kpt #: 51 total cpu time spent up to now is 54.4 secs Computing kpt #: 52 total cpu time spent up to now is 55.4 secs Computing kpt #: 53 total cpu time spent up to now is 56.4 secs Computing kpt #: 54 total cpu time spent up to now is 57.4 secs Computing kpt #: 55 total cpu time spent up to now is 58.4 secs Computing kpt #: 56 total cpu time spent up to now is 59.5 secs Computing kpt #: 57 total cpu time spent up to now is 60.5 secs Computing kpt #: 58 total cpu time spent up to now is 61.5 secs Computing kpt #: 59 total cpu time spent up to now is 62.5 secs Computing kpt #: 60 total cpu time spent up to now is 63.5 secs Computing kpt #: 61 total cpu time spent up to now is 64.5 secs Computing kpt #: 62 total cpu time spent up to now is 65.5 secs Computing kpt #: 63 total cpu time spent up to now is 66.6 secs Computing kpt #: 64 total cpu time spent up to now is 67.6 secs Computing kpt #: 65 total cpu time spent up to now is 68.6 secs Computing kpt #: 66 total cpu time spent up to now is 69.6 secs Computing kpt #: 67 total cpu time spent up to now is 70.6 secs Computing kpt #: 68 total cpu time spent up to now is 71.6 secs Computing kpt #: 69 total cpu time spent up to now is 72.6 secs Computing kpt #: 70 total cpu time spent up to now is 73.6 secs Computing kpt #: 71 total cpu time spent up to now is 74.7 secs Computing kpt #: 72 total cpu time spent up to now is 75.7 secs Computing kpt #: 73 total cpu time spent up to now is 76.7 secs Computing kpt #: 74 total cpu time spent up to now is 77.8 secs Computing kpt #: 75 total cpu time spent up to now is 78.8 secs Computing kpt #: 76 total cpu time spent up to now is 79.9 secs Computing kpt #: 77 total cpu time spent up to now is 81.0 secs Computing kpt #: 78 total cpu time spent up to now is 82.2 secs Computing kpt #: 79 total cpu time spent up to now is 83.6 secs Computing kpt #: 80 total cpu time spent up to now is 85.2 secs Computing kpt #: 81 total cpu time spent up to now is 86.4 secs Computing kpt #: 82 total cpu time spent up to now is 87.6 secs Computing kpt #: 83 total cpu time spent up to now is 89.1 secs Computing kpt #: 84 total cpu time spent up to now is 90.4 secs Computing kpt #: 85 total cpu time spent up to now is 91.7 secs Computing kpt #: 86 total cpu time spent up to now is 93.0 secs Computing kpt #: 87 total cpu time spent up to now is 94.3 secs Computing kpt #: 88 total cpu time spent up to now is 95.6 secs Computing kpt #: 89 total cpu time spent up to now is 97.0 secs Computing kpt #: 90 total cpu time spent up to now is 98.1 secs Computing kpt #: 91 total cpu time spent up to now is 99.6 secs Computing kpt #: 92 total cpu time spent up to now is 100.9 secs Computing kpt #: 93 total cpu time spent up to now is 102.3 secs Computing kpt #: 94 total cpu time spent up to now is 103.8 secs Computing kpt #: 95 total cpu time spent up to now is 105.2 secs Computing kpt #: 96 total cpu time spent up to now is 106.8 secs Computing kpt #: 97 total cpu time spent up to now is 108.5 secs Computing kpt #: 98 total cpu time spent up to now is 110.2 secs Computing kpt #: 99 total cpu time spent up to now is 111.9 secs Computing kpt #: 100 total cpu time spent up to now is 113.5 secs Computing kpt #: 101 total cpu time spent up to now is 115.1 secs Computing kpt #: 102 total cpu time spent up to now is 116.8 secs Computing kpt #: 103 total cpu time spent up to now is 118.4 secs Computing kpt #: 104 total cpu time spent up to now is 120.0 secs Computing kpt #: 105 total cpu time spent up to now is 121.6 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 124.1 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.2 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.3 secs Computing kpt #: 109 total cpu time spent up to now is 129.4 secs Computing kpt #: 110 total cpu time spent up to now is 130.5 secs Computing kpt #: 111 total cpu time spent up to now is 131.6 secs Computing kpt #: 112 total cpu time spent up to now is 132.6 secs Computing kpt #: 113 total cpu time spent up to now is 133.6 secs Computing kpt #: 114 total cpu time spent up to now is 134.7 secs Computing kpt #: 115 total cpu time spent up to now is 135.7 secs Computing kpt #: 116 total cpu time spent up to now is 136.7 secs Computing kpt #: 117 total cpu time spent up to now is 137.6 secs Computing kpt #: 118 total cpu time spent up to now is 138.6 secs Computing kpt #: 119 total cpu time spent up to now is 139.6 secs Computing kpt #: 120 total cpu time spent up to now is 140.6 secs Computing kpt #: 121 total cpu time spent up to now is 141.5 secs Computing kpt #: 122 total cpu time spent up to now is 142.5 secs Computing kpt #: 123 total cpu time spent up to now is 143.5 secs Computing kpt #: 124 total cpu time spent up to now is 144.4 secs Computing kpt #: 125 total cpu time spent up to now is 145.4 secs Computing kpt #: 126 total cpu time spent up to now is 146.4 secs Computing kpt #: 127 total cpu time spent up to now is 147.4 secs Computing kpt #: 128 total cpu time spent up to now is 148.4 secs Computing kpt #: 129 total cpu time spent up to now is 149.4 secs Computing kpt #: 130 total cpu time spent up to now is 150.4 secs Computing kpt #: 131 total cpu time spent up to now is 151.3 secs Computing kpt #: 132 total cpu time spent up to now is 152.3 secs Computing kpt #: 133 total cpu time spent up to now is 153.4 secs Computing kpt #: 134 total cpu time spent up to now is 154.5 secs Computing kpt #: 135 total cpu time spent up to now is 155.6 secs Computing kpt #: 136 total cpu time spent up to now is 156.7 secs Computing kpt #: 137 total cpu time spent up to now is 157.8 secs Computing kpt #: 138 total cpu time spent up to now is 158.8 secs Computing kpt #: 139 total cpu time spent up to now is 159.9 secs Computing kpt #: 140 total cpu time spent up to now is 160.9 secs Computing kpt #: 141 total cpu time spent up to now is 162.0 secs Computing kpt #: 142 total cpu time spent up to now is 163.0 secs Computing kpt #: 143 total cpu time spent up to now is 164.0 secs Computing kpt #: 144 total cpu time spent up to now is 165.0 secs Computing kpt #: 145 total cpu time spent up to now is 166.0 secs Computing kpt #: 146 total cpu time spent up to now is 166.9 secs Computing kpt #: 147 total cpu time spent up to now is 168.3 secs Computing kpt #: 148 total cpu time spent up to now is 169.3 secs Computing kpt #: 149 total cpu time spent up to now is 170.3 secs Computing kpt #: 150 total cpu time spent up to now is 171.3 secs Computing kpt #: 151 total cpu time spent up to now is 172.3 secs Computing kpt #: 152 total cpu time spent up to now is 173.3 secs Computing kpt #: 153 total cpu time spent up to now is 174.3 secs Computing kpt #: 154 total cpu time spent up to now is 175.3 secs Computing kpt #: 155 total cpu time spent up to now is 176.3 secs Computing kpt #: 156 total cpu time spent up to now is 177.3 secs Computing kpt #: 157 total cpu time spent up to now is 178.2 secs Computing kpt #: 158 total cpu time spent up to now is 179.2 secs Computing kpt #: 159 total cpu time spent up to now is 180.2 secs Computing kpt #: 160 total cpu time spent up to now is 181.2 secs Computing kpt #: 161 total cpu time spent up to now is 182.2 secs Computing kpt #: 162 total cpu time spent up to now is 183.3 secs Computing kpt #: 163 total cpu time spent up to now is 184.3 secs Computing kpt #: 164 total cpu time spent up to now is 185.3 secs Computing kpt #: 165 total cpu time spent up to now is 186.4 secs Computing kpt #: 166 total cpu time spent up to now is 187.4 secs Computing kpt #: 167 total cpu time spent up to now is 188.4 secs Computing kpt #: 168 total cpu time spent up to now is 189.4 secs Computing kpt #: 169 total cpu time spent up to now is 190.4 secs Computing kpt #: 170 total cpu time spent up to now is 191.4 secs Computing kpt #: 171 total cpu time spent up to now is 192.4 secs Computing kpt #: 172 total cpu time spent up to now is 193.4 secs Computing kpt #: 173 total cpu time spent up to now is 194.4 secs Computing kpt #: 174 total cpu time spent up to now is 195.5 secs Computing kpt #: 175 total cpu time spent up to now is 196.5 secs Computing kpt #: 176 total cpu time spent up to now is 197.6 secs Computing kpt #: 177 total cpu time spent up to now is 198.6 secs Computing kpt #: 178 total cpu time spent up to now is 199.8 secs Computing kpt #: 179 total cpu time spent up to now is 201.0 secs Computing kpt #: 180 total cpu time spent up to now is 202.1 secs Computing kpt #: 181 total cpu time spent up to now is 203.4 secs Computing kpt #: 182 total cpu time spent up to now is 204.4 secs Computing kpt #: 183 total cpu time spent up to now is 205.4 secs Computing kpt #: 184 total cpu time spent up to now is 206.4 secs Computing kpt #: 185 total cpu time spent up to now is 207.4 secs Computing kpt #: 186 total cpu time spent up to now is 208.4 secs Computing kpt #: 187 total cpu time spent up to now is 209.3 secs Computing kpt #: 188 total cpu time spent up to now is 210.3 secs Computing kpt #: 189 total cpu time spent up to now is 211.2 secs Computing kpt #: 190 total cpu time spent up to now is 212.2 secs Computing kpt #: 191 total cpu time spent up to now is 213.2 secs Computing kpt #: 192 total cpu time spent up to now is 214.1 secs Computing kpt #: 193 total cpu time spent up to now is 215.1 secs Computing kpt #: 194 total cpu time spent up to now is 216.1 secs Computing kpt #: 195 total cpu time spent up to now is 217.0 secs Computing kpt #: 196 total cpu time spent up to now is 218.0 secs Computing kpt #: 197 total cpu time spent up to now is 219.0 secs Computing kpt #: 198 total cpu time spent up to now is 220.0 secs Computing kpt #: 199 total cpu time spent up to now is 220.9 secs Computing kpt #: 200 total cpu time spent up to now is 221.9 secs Computing kpt #: 201 total cpu time spent up to now is 222.9 secs Computing kpt #: 202 total cpu time spent up to now is 223.9 secs Computing kpt #: 203 total cpu time spent up to now is 224.9 secs Computing kpt #: 204 total cpu time spent up to now is 225.9 secs Computing kpt #: 205 total cpu time spent up to now is 226.9 secs Computing kpt #: 206 total cpu time spent up to now is 227.9 secs Computing kpt #: 207 total cpu time spent up to now is 228.9 secs Computing kpt #: 208 total cpu time spent up to now is 229.9 secs Computing kpt #: 209 total cpu time spent up to now is 230.9 secs Computing kpt #: 210 total cpu time spent up to now is 232.0 secs Computing kpt #: 211 total cpu time spent up to now is 233.0 secs Computing kpt #: 212 total cpu time spent up to now is 234.0 secs Computing kpt #: 213 total cpu time spent up to now is 235.0 secs Computing kpt #: 214 total cpu time spent up to now is 236.0 secs Computing kpt #: 215 total cpu time spent up to now is 237.0 secs Computing kpt #: 216 total cpu time spent up to now is 238.1 secs Computing kpt #: 217 total cpu time spent up to now is 239.1 secs Computing kpt #: 218 total cpu time spent up to now is 240.2 secs Computing kpt #: 219 total cpu time spent up to now is 241.2 secs Computing kpt #: 220 total cpu time spent up to now is 242.3 secs Computing kpt #: 221 total cpu time spent up to now is 243.3 secs Computing kpt #: 222 total cpu time spent up to now is 244.3 secs Computing kpt #: 223 total cpu time spent up to now is 245.3 secs Computing kpt #: 224 total cpu time spent up to now is 246.9 secs Computing kpt #: 225 total cpu time spent up to now is 247.9 secs Computing kpt #: 226 total cpu time spent up to now is 248.8 secs Computing kpt #: 227 total cpu time spent up to now is 249.8 secs Computing kpt #: 228 total cpu time spent up to now is 250.8 secs Computing kpt #: 229 total cpu time spent up to now is 251.8 secs Computing kpt #: 230 total cpu time spent up to now is 252.8 secs Computing kpt #: 231 total cpu time spent up to now is 253.7 secs Computing kpt #: 232 total cpu time spent up to now is 254.7 secs Computing kpt #: 233 total cpu time spent up to now is 255.7 secs Computing kpt #: 234 total cpu time spent up to now is 256.7 secs Computing kpt #: 235 total cpu time spent up to now is 257.6 secs Computing kpt #: 236 total cpu time spent up to now is 258.6 secs Computing kpt #: 237 total cpu time spent up to now is 259.6 secs Computing kpt #: 238 total cpu time spent up to now is 260.5 secs Computing kpt #: 239 total cpu time spent up to now is 261.5 secs Computing kpt #: 240 total cpu time spent up to now is 262.5 secs Computing kpt #: 241 total cpu time spent up to now is 263.5 secs Computing kpt #: 242 total cpu time spent up to now is 264.5 secs Computing kpt #: 243 total cpu time spent up to now is 265.4 secs Computing kpt #: 244 total cpu time spent up to now is 266.4 secs Computing kpt #: 245 total cpu time spent up to now is 267.5 secs Computing kpt #: 246 total cpu time spent up to now is 268.5 secs Computing kpt #: 247 total cpu time spent up to now is 269.5 secs Computing kpt #: 248 total cpu time spent up to now is 270.5 secs Computing kpt #: 249 total cpu time spent up to now is 271.6 secs Computing kpt #: 250 total cpu time spent up to now is 272.7 secs Computing kpt #: 251 total cpu time spent up to now is 273.9 secs Computing kpt #: 252 total cpu time spent up to now is 274.9 secs Computing kpt #: 253 total cpu time spent up to now is 276.3 secs Computing kpt #: 254 total cpu time spent up to now is 277.9 secs Computing kpt #: 255 total cpu time spent up to now is 279.3 secs Computing kpt #: 256 total cpu time spent up to now is 280.9 secs Computing kpt #: 257 total cpu time spent up to now is 282.5 secs Computing kpt #: 258 total cpu time spent up to now is 284.2 secs Computing kpt #: 259 total cpu time spent up to now is 286.1 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 288.3 secs Computing kpt #: 261 total cpu time spent up to now is 289.3 secs Computing kpt #: 262 total cpu time spent up to now is 290.3 secs Computing kpt #: 263 total cpu time spent up to now is 291.4 secs Computing kpt #: 264 total cpu time spent up to now is 292.5 secs Computing kpt #: 265 total cpu time spent up to now is 293.6 secs Computing kpt #: 266 total cpu time spent up to now is 294.6 secs Computing kpt #: 267 total cpu time spent up to now is 295.6 secs Computing kpt #: 268 total cpu time spent up to now is 296.6 secs Computing kpt #: 269 total cpu time spent up to now is 297.7 secs Computing kpt #: 270 total cpu time spent up to now is 298.7 secs Computing kpt #: 271 total cpu time spent up to now is 299.7 secs Computing kpt #: 272 total cpu time spent up to now is 300.7 secs Computing kpt #: 273 total cpu time spent up to now is 301.7 secs Computing kpt #: 274 total cpu time spent up to now is 302.8 secs Computing kpt #: 275 total cpu time spent up to now is 303.8 secs Computing kpt #: 276 total cpu time spent up to now is 304.8 secs Computing kpt #: 277 total cpu time spent up to now is 305.7 secs Computing kpt #: 278 total cpu time spent up to now is 306.7 secs Computing kpt #: 279 total cpu time spent up to now is 307.7 secs Computing kpt #: 280 total cpu time spent up to now is 308.7 secs Computing kpt #: 281 total cpu time spent up to now is 309.7 secs Computing kpt #: 282 total cpu time spent up to now is 310.6 secs Computing kpt #: 283 total cpu time spent up to now is 311.6 secs Computing kpt #: 284 total cpu time spent up to now is 312.5 secs Computing kpt #: 285 total cpu time spent up to now is 313.5 secs Computing kpt #: 286 total cpu time spent up to now is 314.5 secs Computing kpt #: 287 total cpu time spent up to now is 315.5 secs Computing kpt #: 288 total cpu time spent up to now is 316.4 secs ethr = 2.08E-11, avg # of iterations = 30.5 total cpu time spent up to now is 316.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3527 PWs) bands (ev): -21.5711 -21.5711 -20.6284 -20.6284 -20.6270 -20.6270 -18.9648 -18.9648 -18.2596 -18.2596 -18.2593 -18.2593 -6.3100 -6.3100 -4.1131 -4.1131 -4.1027 -4.1027 -3.5167 -3.5167 -2.4046 -2.4046 -2.4001 -2.4001 -1.9578 -1.9578 -1.4104 -1.4104 -1.4008 -1.4008 -0.8035 -0.8035 0.0208 0.0208 0.0223 0.0223 0.5768 0.5768 0.5833 0.5833 0.6159 0.6159 1.3463 1.3463 1.7341 1.7341 1.7641 1.7641 9.0594 9.0594 13.8235 13.8235 14.2079 14.2079 15.3350 15.3350 15.3575 15.3575 k = 0.0128-0.0079-0.0055 ( 3523 PWs) bands (ev): -21.5708 -21.5708 -20.6286 -20.6285 -20.6271 -20.6271 -18.9646 -18.9646 -18.2599 -18.2598 -18.2595 -18.2594 -6.3090 -6.3090 -4.1139 -4.1122 -4.1034 -4.1018 -3.5162 -3.5159 -2.4053 -2.4033 -2.4007 -2.3988 -1.9577 -1.9566 -1.4131 -1.4090 -1.4032 -1.3994 -0.8037 -0.8036 0.0168 0.0181 0.0234 0.0251 0.5746 0.5781 0.5825 0.5838 0.6139 0.6177 1.3451 1.3464 1.7330 1.7344 1.7633 1.7640 9.0621 9.0622 13.8239 13.8246 14.2084 14.2085 15.3288 15.3374 15.3518 15.3595 k = 0.0256-0.0157-0.0110 ( 3519 PWs) bands (ev): -21.5698 -21.5698 -20.6294 -20.6293 -20.6274 -20.6273 -18.9641 -18.9641 -18.2608 -18.2607 -18.2597 -18.2596 -6.3061 -6.3061 -4.1149 -4.1119 -4.1032 -4.1003 -3.5146 -3.5138 -2.4053 -2.4017 -2.4002 -2.3967 -1.9563 -1.9542 -1.4172 -1.4103 -1.4052 -1.3988 -0.8041 -0.8038 0.0114 0.0127 0.0248 0.0267 0.5717 0.5767 0.5820 0.5847 0.6117 0.6193 1.3427 1.3452 1.7308 1.7337 1.7614 1.7629 9.0704 9.0704 13.8257 13.8269 14.2100 14.2101 15.3197 15.3321 15.3458 15.3573 k = 0.0385-0.0236-0.0165 ( 3519 PWs) bands (ev): -21.5680 -21.5680 -20.6310 -20.6310 -20.6275 -20.6275 -18.9632 -18.9632 -18.2623 -18.2623 -18.2599 -18.2599 -6.3012 -6.3011 -4.1167 -4.1135 -4.1008 -4.0976 -3.5117 -3.5106 -2.4049 -2.4010 -2.3976 -2.3937 -1.9537 -1.9505 -1.4230 -1.4161 -1.4050 -1.3987 -0.8047 -0.8043 0.0045 0.0058 0.0248 0.0270 0.5676 0.5723 0.5813 0.5865 0.6096 0.6210 1.3390 1.3429 1.7275 1.7321 1.7585 1.7611 9.0841 9.0841 13.8289 13.8307 14.2125 14.2127 15.3071 15.3169 15.3415 15.3528 k = 0.0513-0.0314-0.0220 ( 3517 PWs) bands (ev): -21.5656 -21.5656 -20.6334 -20.6334 -20.6276 -20.6275 -18.9619 -18.9619 -18.2645 -18.2645 -18.2603 -18.2603 -6.2943 -6.2943 -4.1199 -4.1170 -4.0961 -4.0933 -3.5076 -3.5060 -2.4040 -2.4002 -2.3938 -2.3897 -1.9499 -1.9456 -1.4309 -1.4246 -1.4044 -1.3988 -0.8055 -0.8050 -0.0037 -0.0024 0.0235 0.0261 0.5619 0.5656 0.5803 0.5888 0.6081 0.6230 1.3342 1.3394 1.7232 1.7296 1.7547 1.7585 9.1032 9.1032 13.8335 13.8358 14.2160 14.2162 15.2886 15.2941 15.3370 15.3494 k = 0.0641-0.0393-0.0275 ( 3514 PWs) bands (ev): -21.5625 -21.5625 -20.6366 -20.6365 -20.6276 -20.6275 -18.9603 -18.9603 -18.2673 -18.2673 -18.2608 -18.2607 -6.2855 -6.2855 -4.1244 -4.1219 -4.0898 -4.0874 -3.5022 -3.5003 -2.4028 -2.3992 -2.3891 -2.3846 -1.9450 -1.9396 -1.4410 -1.4353 -1.4039 -1.3987 -0.8066 -0.8059 -0.0135 -0.0120 0.0210 0.0240 0.5539 0.5566 0.5795 0.5910 0.6078 0.6256 1.3282 1.3347 1.7176 1.7261 1.7502 1.7554 9.1276 9.1277 13.8394 13.8423 14.2203 14.2205 15.2624 15.2647 15.3340 15.3485 k = 0.0769-0.0471-0.0329 ( 3514 PWs) bands (ev): -21.5588 -21.5587 -20.6404 -20.6403 -20.6276 -20.6275 -18.9583 -18.9583 -18.2708 -18.2707 -18.2613 -18.2613 -6.2748 -6.2747 -4.1302 -4.1280 -4.0820 -4.0800 -3.4956 -3.4933 -2.4013 -2.3978 -2.3834 -2.3784 -1.9390 -1.9325 -1.4533 -1.4480 -1.4034 -1.3985 -0.8078 -0.8069 -0.0247 -0.0232 0.0172 0.0207 0.5433 0.5454 0.5791 0.5930 0.6088 0.6288 1.3210 1.3287 1.7107 1.7214 1.7451 1.7519 9.1573 9.1573 13.8467 13.8501 14.2253 14.2255 15.2287 15.2294 15.3341 15.3503 k = 0.0897-0.0550-0.0384 ( 3516 PWs) bands (ev): -21.5543 -21.5543 -20.6449 -20.6448 -20.6276 -20.6275 -18.9560 -18.9560 -18.2748 -18.2747 -18.2620 -18.2620 -6.2622 -6.2621 -4.1373 -4.1354 -4.0728 -4.0710 -3.4877 -3.4850 -2.3995 -2.3961 -2.3767 -2.3712 -1.9320 -1.9244 -1.4677 -1.4628 -1.4030 -1.3980 -0.8091 -0.8081 -0.0374 -0.0358 0.0122 0.0162 0.5303 0.5322 0.5791 0.5946 0.6114 0.6326 1.3126 1.3215 1.7027 1.7155 1.7397 1.7480 9.1921 9.1921 13.8553 13.8593 14.2306 14.2309 15.1882 15.1893 15.3374 15.3549 k = 0.1026-0.0628-0.0439 ( 3509 PWs) bands (ev): -21.5492 -21.5492 -20.6501 -20.6500 -20.6275 -20.6275 -18.9533 -18.9533 -18.2794 -18.2793 -18.2627 -18.2627 -6.2478 -6.2477 -4.1457 -4.1440 -4.0622 -4.0606 -3.4785 -3.4755 -2.3974 -2.3940 -2.3691 -2.3628 -1.9241 -1.9154 -1.4842 -1.4795 -1.4026 -1.3974 -0.8106 -0.8095 -0.0517 -0.0498 0.0059 0.0104 0.5150 0.5172 0.5794 0.5960 0.6152 0.6370 1.3030 1.3131 1.6934 1.7082 1.7343 1.7440 9.2318 9.2319 13.8653 13.8697 14.2361 14.2363 15.1429 15.1445 15.3441 15.3623 k = 0.1154-0.0707-0.0494 ( 3513 PWs) bands (ev): -21.5435 -21.5434 -20.6560 -20.6559 -20.6275 -20.6274 -18.9503 -18.9503 -18.2845 -18.2845 -18.2636 -18.2636 -6.2315 -6.2314 -4.1554 -4.1538 -4.0504 -4.0489 -3.4680 -3.4648 -2.3951 -2.3917 -2.3604 -2.3535 -1.9155 -1.9056 -1.5025 -1.4981 -1.4022 -1.3967 -0.8123 -0.8109 -0.0675 -0.0655 -0.0017 0.0035 0.4976 0.5004 0.5802 0.5974 0.6201 0.6421 1.2922 1.3035 1.6831 1.6995 1.7290 1.7398 9.2764 9.2765 13.8766 13.8814 14.2411 14.2413 15.0940 15.0959 15.3540 15.3726 k = 0.1282-0.0785-0.0549 ( 3515 PWs) bands (ev): -21.5371 -21.5371 -20.6625 -20.6624 -20.6275 -20.6274 -18.9469 -18.9469 -18.2902 -18.2902 -18.2645 -18.2645 -6.2134 -6.2133 -4.1663 -4.1648 -4.0372 -4.0359 -3.4563 -3.4527 -2.3925 -2.3891 -2.3507 -2.3431 -1.9062 -1.8952 -1.5224 -1.5182 -1.4019 -1.3959 -0.8140 -0.8124 -0.0848 -0.0826 -0.0105 -0.0047 0.4784 0.4819 0.5813 0.5988 0.6258 0.6478 1.2803 1.2927 1.6717 1.6894 1.7238 1.7354 9.3257 9.3257 13.8893 13.8944 14.2450 14.2452 15.0426 15.0447 15.3670 15.3858 k = 0.1410-0.0864-0.0604 ( 3518 PWs) bands (ev): -21.5301 -21.5300 -20.6697 -20.6696 -20.6274 -20.6274 -18.9432 -18.9432 -18.2965 -18.2964 -18.2655 -18.2655 -6.1936 -6.1935 -4.1785 -4.1771 -4.0229 -4.0216 -3.4433 -3.4394 -2.3897 -2.3863 -2.3400 -2.3317 -1.8966 -1.8844 -1.5439 -1.5398 -1.4014 -1.3949 -0.8157 -0.8139 -0.1036 -0.1013 -0.0206 -0.0141 0.4577 0.4620 0.5828 0.6005 0.6322 0.6541 1.2672 1.2807 1.6593 1.6782 1.7188 1.7309 9.3794 9.3795 13.9032 13.9087 14.2470 14.2472 14.9900 14.9922 15.3832 15.4020 k = 0.1538-0.0942-0.0659 ( 3518 PWs) bands (ev): -21.5225 -21.5224 -20.6775 -20.6774 -20.6274 -20.6273 -18.9392 -18.9391 -18.3032 -18.3031 -18.2665 -18.2665 -6.1721 -6.1720 -4.1920 -4.1906 -4.0074 -4.0061 -3.4291 -3.4249 -2.3866 -2.3831 -2.3283 -2.3194 -1.8869 -1.8735 -1.5666 -1.5626 -1.4010 -1.3939 -0.8173 -0.8154 -0.1240 -0.1214 -0.0319 -0.0247 0.4356 0.4406 0.5846 0.6024 0.6394 0.6610 1.2531 1.2676 1.6461 1.6658 1.7139 1.7264 9.4375 9.4376 13.9183 13.9241 14.2459 14.2460 14.9379 14.9401 15.4025 15.4212 k = 0.1667-0.1021-0.0714 ( 3518 PWs) bands (ev): -21.5143 -21.5142 -20.6859 -20.6858 -20.6273 -20.6273 -18.9348 -18.9348 -18.3104 -18.3103 -18.2676 -18.2676 -6.1490 -6.1488 -4.2067 -4.2054 -3.9908 -3.9894 -3.4136 -3.4092 -2.3834 -2.3797 -2.3157 -2.3061 -1.8774 -1.8629 -1.5900 -1.5861 -1.4004 -1.3928 -0.8189 -0.8167 -0.1458 -0.1431 -0.0445 -0.0366 0.4123 0.4181 0.5868 0.6046 0.6472 0.6686 1.2381 1.2534 1.6321 1.6525 1.7091 1.7218 9.4998 9.4998 13.9345 13.9406 14.2401 14.2401 14.8881 14.8902 15.4247 15.4432 k = 0.1795-0.1099-0.0769 ( 3506 PWs) bands (ev): -21.5054 -21.5054 -20.6949 -20.6948 -20.6273 -20.6272 -18.9301 -18.9300 -18.3180 -18.3180 -18.2688 -18.2688 -6.1243 -6.1241 -4.2228 -4.2214 -3.9731 -3.9717 -3.3969 -3.3922 -2.3799 -2.3761 -2.3022 -2.2919 -1.8689 -1.8531 -1.6137 -1.6098 -1.3999 -1.3917 -0.8202 -0.8177 -0.1692 -0.1663 -0.0583 -0.0497 0.3880 0.3946 0.5893 0.6071 0.6557 0.6769 1.2221 1.2383 1.6174 1.6383 1.7045 1.7172 9.5659 9.5660 13.9518 13.9581 14.2278 14.2281 14.8426 14.8446 15.4499 15.4681 k = 0.1923-0.1178-0.0824 ( 3508 PWs) bands (ev): -21.4961 -21.4960 -20.7045 -20.7044 -20.6272 -20.6271 -18.9251 -18.9250 -18.3261 -18.3261 -18.2700 -18.2700 -6.0980 -6.0978 -4.2401 -4.2387 -3.9545 -3.9530 -3.3790 -3.3740 -2.3762 -2.3723 -2.2878 -2.2769 -1.8619 -1.8453 -1.6366 -1.6328 -1.3992 -1.3905 -0.8213 -0.8185 -0.1940 -0.1909 -0.0734 -0.0640 0.3629 0.3703 0.5921 0.6099 0.6649 0.6859 1.2053 1.2223 1.6019 1.6232 1.7000 1.7127 9.6359 9.6360 13.9696 13.9760 14.2075 14.2080 14.8036 14.8054 15.4778 15.4957 k = 0.2051-0.1256-0.0878 ( 3508 PWs) bands (ev): -21.4862 -21.4861 -20.7146 -20.7145 -20.6271 -20.6271 -18.9198 -18.9197 -18.3346 -18.3345 -18.2713 -18.2713 -6.0703 -6.0701 -4.2586 -4.2572 -3.9350 -3.9335 -3.3599 -3.3547 -2.3724 -2.3683 -2.2725 -2.2611 -1.8580 -1.8407 -1.6575 -1.6538 -1.3985 -1.3894 -0.8219 -0.8188 -0.2202 -0.2169 -0.0897 -0.0796 0.3371 0.3453 0.5953 0.6130 0.6747 0.6955 1.1879 1.2054 1.5857 1.6073 1.6957 1.7082 9.7094 9.7095 13.9871 13.9936 14.1785 14.1794 14.7729 14.7745 15.5084 15.5259 k = 0.2179-0.1335-0.0933 ( 3508 PWs) bands (ev): -21.4758 -21.4757 -20.7253 -20.7251 -20.6271 -20.6270 -18.9142 -18.9141 -18.3434 -18.3433 -18.2726 -18.2725 -6.0413 -6.0410 -4.2784 -4.2770 -3.9146 -3.9130 -3.3396 -3.3343 -2.3685 -2.3641 -2.2565 -2.2445 -1.8586 -1.8414 -1.6744 -1.6708 -1.3978 -1.3883 -0.8221 -0.8185 -0.2477 -0.2443 -0.1072 -0.0964 0.3109 0.3198 0.5988 0.6164 0.6853 0.7058 1.1698 1.1879 1.5689 1.5907 1.6916 1.7039 9.7863 9.7864 14.0013 14.0076 14.1428 14.1444 14.7514 14.7527 15.5416 15.5586 k = 0.2308-0.1413-0.0988 ( 3502 PWs) bands (ev): -21.4648 -21.4647 -20.7364 -20.7363 -20.6270 -20.6270 -18.9083 -18.9082 -18.3526 -18.3525 -18.2738 -18.2738 -6.0109 -6.0106 -4.2993 -4.2979 -3.8936 -3.8919 -3.3182 -3.3127 -2.3645 -2.3600 -2.2398 -2.2273 -1.8658 -1.8495 -1.6857 -1.6815 -1.3971 -1.3872 -0.8216 -0.8176 -0.2765 -0.2730 -0.1258 -0.1143 0.2844 0.2941 0.6027 0.6201 0.6966 0.7169 1.1512 1.1698 1.5515 1.5734 1.6877 1.6996 9.8663 9.8664 14.0022 14.0073 14.1112 14.1138 14.7386 14.7397 15.5771 15.5936 k = 0.2436-0.1492-0.1043 ( 3496 PWs) bands (ev): -21.4534 -21.4533 -20.7481 -20.7479 -20.6270 -20.6269 -18.9021 -18.9021 -18.3620 -18.3619 -18.2752 -18.2751 -5.9793 -5.9790 -4.3215 -4.3200 -3.8718 -3.8701 -3.2958 -3.2901 -2.3605 -2.3557 -2.2224 -2.2095 -1.8803 -1.8659 -1.6905 -1.6848 -1.3964 -1.3863 -0.8204 -0.8160 -0.3066 -0.3029 -0.1453 -0.1332 0.2578 0.2681 0.6069 0.6243 0.7085 0.7286 1.1323 1.1513 1.5334 1.5553 1.6839 1.6955 9.9494 9.9495 13.9707 13.9732 14.1039 14.1083 14.7333 14.7343 15.6149 15.6309 k = 0.2564-0.1570-0.1098 ( 3502 PWs) bands (ev): -21.4416 -21.4415 -20.7602 -20.7600 -20.6269 -20.6268 -18.8957 -18.8957 -18.3717 -18.3716 -18.2765 -18.2765 -5.9466 -5.9463 -4.3447 -4.3433 -3.8496 -3.8478 -3.2723 -3.2665 -2.3566 -2.3516 -2.2045 -2.1912 -1.9018 -1.8893 -1.6895 -1.6817 -1.3958 -1.3856 -0.8184 -0.8134 -0.3377 -0.3339 -0.1658 -0.1531 0.2312 0.2421 0.6114 0.6287 0.7212 0.7411 1.1130 1.1323 1.5148 1.5366 1.6804 1.6916 10.0353 10.0354 13.9106 13.9116 14.1182 14.1235 14.7341 14.7350 15.6548 15.6702 k = 0.2692-0.1649-0.1153 ( 3503 PWs) bands (ev): -21.4294 -21.4293 -20.7726 -20.7725 -20.6268 -20.6268 -18.8891 -18.8890 -18.3816 -18.3815 -18.2778 -18.2778 -5.9129 -5.9126 -4.3691 -4.3676 -3.8270 -3.8252 -3.2478 -3.2419 -2.3528 -2.3476 -2.1861 -2.1724 -1.9287 -1.9178 -1.6838 -1.6742 -1.3954 -1.3851 -0.8154 -0.8099 -0.3699 -0.3660 -0.1872 -0.1739 0.2046 0.2161 0.6163 0.6335 0.7345 0.7542 1.0936 1.1131 1.4955 1.5173 1.6771 1.6878 10.1238 10.1239 13.8363 13.8367 14.1409 14.1466 14.7392 14.7401 15.6965 15.7114 k = 0.2821-0.1727-0.1208 ( 3505 PWs) bands (ev): -21.4168 -21.4167 -20.7855 -20.7853 -20.6268 -20.6267 -18.8823 -18.8822 -18.3916 -18.3916 -18.2791 -18.2791 -5.8783 -5.8779 -4.3945 -4.3930 -3.8041 -3.8022 -3.2223 -3.2163 -2.3491 -2.3438 -2.1674 -2.1534 -1.9594 -1.9499 -1.6749 -1.6639 -1.3951 -1.3849 -0.8113 -0.8052 -0.4029 -0.3989 -0.2091 -0.1955 0.1784 0.1903 0.6215 0.6386 0.7485 0.7681 1.0741 1.0938 1.4757 1.4974 1.6740 1.6842 10.2147 10.2149 13.7540 13.7542 14.1674 14.1732 14.7474 14.7484 15.7400 15.7542 k = 0.2949-0.1806-0.1263 ( 3507 PWs) bands (ev): -21.4038 -21.4037 -20.7987 -20.7985 -20.6267 -20.6267 -18.8753 -18.8752 -18.4018 -18.4017 -18.2804 -18.2804 -5.8429 -5.8425 -4.4208 -4.4193 -3.7811 -3.7792 -3.1958 -3.1897 -2.3458 -2.3404 -2.1485 -2.1342 -1.9926 -1.9842 -1.6638 -1.6518 -1.3951 -1.3852 -0.8059 -0.7994 -0.4366 -0.4325 -0.2316 -0.2176 0.1525 0.1648 0.6271 0.6442 0.7632 0.7826 1.0546 1.0744 1.4554 1.4770 1.6712 1.6809 10.3080 10.3081 13.6660 13.6663 14.1961 14.2020 14.7575 14.7585 15.7849 15.7985 k = 0.3077-0.1884-0.1318 ( 3505 PWs) bands (ev): -21.3906 -21.3905 -20.8122 -20.8120 -20.6267 -20.6266 -18.8681 -18.8681 -18.4120 -18.4120 -18.2816 -18.2816 -5.8068 -5.8064 -4.4481 -4.4466 -3.7581 -3.7562 -3.1685 -3.1623 -2.3429 -2.3375 -2.1296 -2.1150 -2.0273 -2.0200 -1.6511 -1.6386 -1.3954 -1.3859 -0.7993 -0.7923 -0.4709 -0.4666 -0.2545 -0.2402 0.1270 0.1397 0.6331 0.6501 0.7785 0.7979 1.0352 1.0549 1.4347 1.4560 1.6685 1.6777 10.4033 10.4035 13.5739 13.5743 14.2264 14.2322 14.7685 14.7696 15.8311 15.8440 k = 0.3205-0.1963-0.1373 ( 3503 PWs) bands (ev): -21.3772 -21.3771 -20.8258 -20.8257 -20.6266 -20.6265 -18.8609 -18.8608 -18.4223 -18.4222 -18.2828 -18.2828 -5.7702 -5.7698 -4.4761 -4.4746 -3.7353 -3.7334 -3.1402 -3.1340 -2.3406 -2.3352 -2.1121 -2.0969 -2.0616 -2.0557 -1.6374 -1.6245 -1.3962 -1.3871 -0.7914 -0.7840 -0.5055 -0.5011 -0.2775 -0.2631 0.1021 0.1150 0.6395 0.6564 0.7944 0.8137 1.0159 1.0356 1.4134 1.4346 1.6661 1.6747 10.5006 10.5007 13.4785 13.4790 14.2578 14.2635 14.7797 14.7809 15.8783 15.8906 k = 0.3333-0.2041-0.1427 ( 3506 PWs) bands (ev): -21.3636 -21.3635 -20.8397 -20.8395 -20.6265 -20.6265 -18.8536 -18.8535 -18.4324 -18.4324 -18.2840 -18.2840 -5.7333 -5.7328 -4.5048 -4.5033 -3.7129 -3.7109 -3.1111 -3.1049 -2.3391 -2.3338 -2.1104 -2.0992 -2.0813 -2.0712 -1.6228 -1.6098 -1.3974 -1.3889 -0.7821 -0.7745 -0.5401 -0.5356 -0.3007 -0.2862 0.0779 0.0908 0.6462 0.6630 0.8110 0.8302 0.9969 1.0165 1.3918 1.4127 1.6639 1.6719 10.5996 10.5998 13.3804 13.3810 14.2901 14.2957 14.7905 14.7918 15.9263 15.9378 k = 0.3462-0.2120-0.1482 ( 3507 PWs) bands (ev): -21.3499 -21.3498 -20.8536 -20.8535 -20.6265 -20.6264 -18.8463 -18.8462 -18.4425 -18.4424 -18.2851 -18.2851 -5.6962 -5.6957 -4.5341 -4.5326 -3.6910 -3.6890 -3.0812 -3.0749 -2.3387 -2.3338 -2.1416 -2.1344 -2.0673 -2.0547 -1.6077 -1.5948 -1.3991 -1.3913 -0.7715 -0.7638 -0.5747 -0.5699 -0.3236 -0.3092 0.0543 0.0672 0.6533 0.6701 0.8281 0.8474 0.9782 0.9976 1.3698 1.3905 1.6619 1.6693 10.7003 10.7005 13.2802 13.2808 14.3231 14.3286 14.8004 14.8018 15.9747 15.9856 k = 0.3590-0.2198-0.1537 ( 3511 PWs) bands (ev): -21.3362 -21.3361 -20.8676 -20.8674 -20.6264 -20.6264 -18.8390 -18.8389 -18.4523 -18.4523 -18.2862 -18.2862 -5.6592 -5.6587 -4.5637 -4.5623 -3.6698 -3.6679 -3.0504 -3.0442 -2.3398 -2.3356 -2.1765 -2.1709 -2.0492 -2.0364 -1.5922 -1.5794 -1.4013 -1.3941 -0.7596 -0.7523 -0.6088 -0.6034 -0.3463 -0.3321 0.0316 0.0444 0.6609 0.6776 0.8456 0.8650 0.9599 0.9790 1.3476 1.3680 1.6601 1.6669 10.8025 10.8028 13.1781 13.1787 14.3565 14.3618 14.8089 14.8104 16.0233 16.0335 k = 0.3718-0.2277-0.1592 ( 3507 PWs) bands (ev): -21.3225 -21.3224 -20.8814 -20.8813 -20.6264 -20.6263 -18.8318 -18.8318 -18.4619 -18.4618 -18.2871 -18.2871 -5.6225 -5.6219 -4.5935 -4.5921 -3.6496 -3.6477 -3.0189 -3.0127 -2.3436 -2.3404 -2.2098 -2.2059 -2.0308 -2.0184 -1.5764 -1.5640 -1.4039 -1.3975 -0.7466 -0.7405 -0.6421 -0.6355 -0.3687 -0.3546 0.0099 0.0224 0.6688 0.6855 0.8635 0.8832 0.9423 0.9608 1.3251 1.3453 1.6585 1.6647 10.9061 10.9063 13.0744 13.0750 14.3900 14.3952 14.8156 14.8173 16.0718 16.0814 k = 0.3846-0.2355-0.1647 ( 3507 PWs) bands (ev): -21.3091 -21.3090 -20.8951 -20.8949 -20.6263 -20.6263 -18.8249 -18.8248 -18.4711 -18.4710 -18.2880 -18.2880 -5.5863 -5.5858 -4.6232 -4.6219 -3.6304 -3.6286 -2.9867 -2.9805 -2.3520 -2.3499 -2.2390 -2.2372 -2.0129 -2.0010 -1.5608 -1.5488 -1.4067 -1.4011 -0.7329 -0.7304 -0.6739 -0.6640 -0.3905 -0.3767 -0.0106 0.0013 0.6771 0.6938 0.8812 0.9018 0.9257 0.9431 1.3025 1.3224 1.6571 1.6627 11.0108 11.0110 12.9694 12.9700 14.4235 14.4285 14.8204 14.8222 16.1198 16.1286 k = 0.3974-0.2434-0.1702 ( 3509 PWs) bands (ev): -21.2960 -21.2959 -20.9084 -20.9082 -20.6263 -20.6263 -18.8182 -18.8181 -18.4798 -18.4798 -18.2889 -18.2889 -5.5512 -5.5506 -4.6525 -4.6512 -3.6126 -3.6109 -2.9538 -2.9477 -2.3686 -2.3656 -2.2621 -2.2613 -1.9957 -1.9844 -1.5455 -1.5341 -1.4095 -1.4047 -0.7296 -0.7220 -0.7004 -0.6810 -0.4117 -0.3984 -0.0299 -0.0186 0.6859 0.7025 0.8942 0.9139 0.9203 0.9274 1.2798 1.2994 1.6559 1.6609 11.1166 11.1169 12.8632 12.8639 14.4565 14.4613 14.8229 14.8248 16.1669 16.1749 k = 0.4103-0.2512-0.1757 ( 3505 PWs) bands (ev): -21.2834 -21.2833 -20.9211 -20.9210 -20.6263 -20.6262 -18.8118 -18.8118 -18.4880 -18.4879 -18.2896 -18.2896 -5.5174 -5.5168 -4.6810 -4.6798 -3.5962 -3.5947 -2.9203 -2.9142 -2.3938 -2.3891 -2.2788 -2.2760 -1.9793 -1.9689 -1.5311 -1.5202 -1.4120 -1.4081 -0.7463 -0.7389 -0.6968 -0.6779 -0.4322 -0.4194 -0.0477 -0.0371 0.6950 0.7115 0.8867 0.9073 0.9263 0.9410 1.2571 1.2764 1.6549 1.6592 11.2233 11.2236 12.7562 12.7568 14.4888 14.4933 14.8232 14.8252 16.2124 16.2197 k = 0.4231-0.2591-0.1812 ( 3505 PWs) bands (ev): -21.2715 -21.2714 -20.9332 -20.9330 -20.6262 -20.6262 -18.8060 -18.8060 -18.4954 -18.4954 -18.2903 -18.2903 -5.4855 -5.4850 -4.7082 -4.7071 -3.5816 -3.5802 -2.8862 -2.8802 -2.4251 -2.4193 -2.2886 -2.2849 -1.9642 -1.9548 -1.5181 -1.5080 -1.4138 -1.4107 -0.7698 -0.7650 -0.6810 -0.6652 -0.4521 -0.4399 -0.0636 -0.0541 0.7045 0.7209 0.8722 0.8916 0.9443 0.9606 1.2346 1.2535 1.6541 1.6578 11.3308 11.3311 12.6483 12.6489 14.5199 14.5242 14.8212 14.8232 16.2559 16.2624 k = 0.4359-0.2669-0.1867 ( 3507 PWs) bands (ev): -21.2606 -21.2605 -20.9442 -20.9441 -20.6262 -20.6262 -18.8008 -18.8007 -18.5020 -18.5020 -18.2908 -18.2908 -5.4562 -5.4557 -4.7335 -4.7325 -3.5688 -3.5676 -2.8517 -2.8458 -2.4596 -2.4535 -2.2941 -2.2905 -1.9505 -1.9424 -1.5071 -1.4979 -1.4144 -1.4121 -0.7929 -0.7894 -0.6639 -0.6498 -0.4714 -0.4597 -0.0776 -0.0693 0.7143 0.7304 0.8576 0.8760 0.9638 0.9802 1.2126 1.2309 1.6534 1.6565 11.4389 11.4393 12.5398 12.5404 14.5494 14.5534 14.8170 14.8190 16.2964 16.3020 k = 0.4487-0.2748-0.1922 ( 3504 PWs) bands (ev): -21.2510 -21.2509 -20.9539 -20.9538 -20.6262 -20.6261 -18.7963 -18.7962 -18.5076 -18.5076 -18.2913 -18.2913 -5.4302 -5.4298 -4.7561 -4.7552 -3.5581 -3.5571 -2.8170 -2.8112 -2.4955 -2.4893 -2.2973 -2.2941 -1.9386 -1.9318 -1.4985 -1.4906 -1.4137 -1.4120 -0.8135 -0.8108 -0.6464 -0.6335 -0.4899 -0.4788 -0.0893 -0.0824 0.7243 0.7400 0.8437 0.8611 0.9834 0.9995 1.1914 1.2088 1.6529 1.6554 11.5475 11.5479 12.4310 12.4315 14.5766 14.5801 14.8110 14.8130 16.3329 16.3376 k = 0.4615-0.2826-0.1977 ( 3504 PWs) bands (ev): -21.2429 -21.2429 -20.9620 -20.9619 -20.6261 -20.6261 -18.7926 -18.7926 -18.5122 -18.5122 -18.2917 -18.2917 -5.4085 -5.4081 -4.7751 -4.7744 -3.5496 -3.5488 -2.7827 -2.7770 -2.5312 -2.5253 -2.2992 -2.2967 -1.9287 -1.9234 -1.4925 -1.4862 -1.4117 -1.4106 -0.8304 -0.8284 -0.6289 -0.6171 -0.5075 -0.4972 -0.0985 -0.0931 0.7345 0.7490 0.8312 0.8471 1.0027 1.0177 1.1717 1.1877 1.6526 1.6545 11.6564 11.6568 12.3219 12.3224 14.6006 14.6036 14.8040 14.8058 16.3641 16.3678 k = 0.4744-0.2905-0.2031 ( 3503 PWs) bands (ev): -21.2369 -21.2368 -20.9681 -20.9681 -20.6261 -20.6261 -18.7899 -18.7899 -18.5155 -18.5155 -18.2919 -18.2919 -5.3920 -5.3917 -4.7896 -4.7891 -3.5434 -3.5429 -2.7496 -2.7445 -2.5651 -2.5597 -2.3002 -2.2984 -1.9211 -1.9175 -1.4885 -1.4842 -1.4092 -1.4085 -0.8430 -0.8417 -0.6119 -0.6016 -0.5238 -0.5144 -0.1050 -0.1013 0.7443 0.7567 0.8212 0.8344 1.0207 1.0334 1.1549 1.1683 1.6525 1.6538 11.7650 11.7654 12.2132 12.2137 14.6201 14.6224 14.7970 14.7985 16.3885 16.3910 k = 0.4872-0.2983-0.2086 ( 3498 PWs) bands (ev): -21.2330 -21.2330 -20.9720 -20.9719 -20.6261 -20.6261 -18.7882 -18.7882 -18.5176 -18.5176 -18.2921 -18.2921 -5.3816 -5.3815 -4.7987 -4.7984 -3.5396 -3.5393 -2.7211 -2.7174 -2.5930 -2.5892 -2.3006 -2.2996 -1.9161 -1.9142 -1.4860 -1.4839 -1.4072 -1.4069 -0.8507 -0.8500 -0.5967 -0.5894 -0.5364 -0.5297 -0.1086 -0.1067 0.7532 0.7609 0.8157 0.8238 1.0358 1.0438 1.1440 1.1523 1.6526 1.6532 11.8715 11.8719 12.1066 12.1071 14.6334 14.6347 14.7918 14.7926 16.4043 16.4056 k = 0.5000-0.3062-0.2141 ( 3492 PWs) bands (ev): -21.2317 -21.2317 -20.9732 -20.9732 -20.6261 -20.6261 -18.7876 -18.7876 -18.5183 -18.5183 -18.2921 -18.2921 -5.3780 -5.3780 -4.8017 -4.8017 -3.5382 -3.5382 -2.7066 -2.7066 -2.6041 -2.6041 -2.3003 -2.3003 -1.9137 -1.9137 -1.4845 -1.4845 -1.4063 -1.4063 -0.8531 -0.8531 -0.5869 -0.5869 -0.5392 -0.5392 -0.1091 -0.1091 0.7595 0.7595 0.8167 0.8167 1.0447 1.0447 1.1430 1.1430 1.6528 1.6528 11.9484 11.9484 12.0301 12.0301 14.6386 14.6386 14.7901 14.7901 16.4102 16.4102 k = 0.5000-0.3062-0.2141 ( 3492 PWs) bands (ev): -21.2317 -21.2317 -20.9732 -20.9732 -20.6261 -20.6261 -18.7876 -18.7876 -18.5183 -18.5183 -18.2921 -18.2921 -5.3780 -5.3780 -4.8017 -4.8017 -3.5382 -3.5382 -2.7066 -2.7066 -2.6041 -2.6041 -2.3003 -2.3003 -1.9137 -1.9137 -1.4845 -1.4845 -1.4063 -1.4063 -0.8531 -0.8531 -0.5869 -0.5869 -0.5392 -0.5392 -0.1091 -0.1091 0.7595 0.7595 0.8167 0.8167 1.0447 1.0447 1.1430 1.1430 1.6528 1.6528 11.9484 11.9484 12.0301 12.0301 14.6386 14.6386 14.7901 14.7901 16.4102 16.4102 k = 0.5000-0.2972-0.2269 ( 3500 PWs) bands (ev): -21.2314 -21.2314 -20.9735 -20.9734 -20.6262 -20.6262 -18.7874 -18.7874 -18.5187 -18.5187 -18.2921 -18.2921 -5.3770 -5.3770 -4.8018 -4.8018 -3.5386 -3.5384 -2.7069 -2.7065 -2.6039 -2.6034 -2.3016 -2.3000 -1.9129 -1.9120 -1.4899 -1.4871 -1.4034 -1.4007 -0.8570 -0.8557 -0.5881 -0.5881 -0.5373 -0.5362 -0.1086 -0.1086 0.7587 0.7589 0.8155 0.8161 1.0453 1.0457 1.1434 1.1434 1.6515 1.6518 11.9499 11.9499 12.0316 12.0316 14.6380 14.6381 14.7889 14.7889 16.4038 16.4040 k = 0.5000-0.2882-0.2398 ( 3500 PWs) bands (ev): -21.2305 -21.2304 -20.9741 -20.9741 -20.6264 -20.6264 -18.7866 -18.7866 -18.5200 -18.5200 -18.2920 -18.2920 -5.3741 -5.3740 -4.8021 -4.8021 -3.5396 -3.5392 -2.7072 -2.7064 -2.6030 -2.6020 -2.3036 -2.3004 -1.9094 -1.9076 -1.5006 -1.4962 -1.3932 -1.3890 -0.8670 -0.8646 -0.5915 -0.5915 -0.5308 -0.5286 -0.1068 -0.1068 0.7564 0.7567 0.8125 0.8136 1.0473 1.0481 1.1447 1.1448 1.6479 1.6486 11.9544 11.9546 12.0360 12.0361 14.6363 14.6364 14.7852 14.7852 16.3857 16.3860 k = 0.5000-0.2793-0.2526 ( 3504 PWs) bands (ev): -21.2289 -21.2288 -20.9751 -20.9751 -20.6269 -20.6269 -18.7853 -18.7853 -18.5221 -18.5221 -18.2918 -18.2918 -5.3691 -5.3690 -4.8027 -4.8027 -3.5411 -3.5406 -2.7076 -2.7064 -2.6013 -2.5998 -2.3063 -2.3016 -1.9035 -1.9009 -1.5141 -1.5087 -1.3789 -1.3739 -0.8824 -0.8790 -0.5973 -0.5973 -0.5202 -0.5173 -0.1040 -0.1040 0.7528 0.7532 0.8078 0.8093 1.0507 1.0518 1.1469 1.1470 1.6421 1.6431 11.9621 11.9623 12.0434 12.0436 14.6334 14.6336 14.7791 14.7791 16.3579 16.3583 k = 0.5000-0.2703-0.2654 ( 3510 PWs) bands (ev): -21.2266 -21.2266 -20.9766 -20.9766 -20.6274 -20.6274 -18.7835 -18.7835 -18.5250 -18.5250 -18.2915 -18.2915 -5.3622 -5.3621 -4.8035 -4.8034 -3.5432 -3.5425 -2.7081 -2.7065 -2.5988 -2.5968 -2.3093 -2.3033 -1.8952 -1.8919 -1.5285 -1.5228 -1.3625 -1.3572 -0.9020 -0.8978 -0.6053 -0.6052 -0.5067 -0.5033 -0.1000 -0.1000 0.7478 0.7483 0.8012 0.8033 1.0554 1.0569 1.1499 1.1501 1.6341 1.6354 11.9728 11.9730 12.0538 12.0541 14.6291 14.6293 14.7705 14.7705 16.3231 16.3236 k = 0.5000-0.2614-0.2782 ( 3506 PWs) bands (ev): -21.2238 -21.2237 -20.9785 -20.9785 -20.6281 -20.6281 -18.7812 -18.7812 -18.5288 -18.5287 -18.2912 -18.2912 -5.3534 -5.3532 -4.8046 -4.8045 -3.5457 -3.5449 -2.7088 -2.7069 -2.5956 -2.5931 -2.3125 -2.3053 -1.8848 -1.8810 -1.5433 -1.5373 -1.3449 -1.3395 -0.9250 -0.9201 -0.6156 -0.6154 -0.4911 -0.4873 -0.0950 -0.0949 0.7417 0.7423 0.7931 0.7957 1.0613 1.0631 1.1536 1.1538 1.6239 1.6256 11.9865 11.9868 12.0672 12.0674 14.6232 14.6235 14.7593 14.7594 16.2837 16.2843 k = 0.5000-0.2524-0.2910 ( 3506 PWs) bands (ev): -21.2203 -21.2202 -20.9809 -20.9808 -20.6290 -20.6290 -18.7784 -18.7783 -18.5333 -18.5333 -18.2908 -18.2908 -5.3426 -5.3424 -4.8060 -4.8059 -3.5488 -3.5478 -2.7097 -2.7075 -2.5917 -2.5887 -2.3155 -2.3072 -1.8727 -1.8685 -1.5580 -1.5519 -1.3267 -1.3213 -0.9505 -0.9450 -0.6279 -0.6276 -0.4742 -0.4702 -0.0889 -0.0888 0.7345 0.7352 0.7835 0.7866 1.0683 1.0704 1.1579 1.1582 1.6116 1.6136 12.0032 12.0036 12.0834 12.0837 14.6155 14.6158 14.7455 14.7456 16.2418 16.2426 k = 0.5000-0.2434-0.3038 ( 3508 PWs) bands (ev): -21.2162 -21.2161 -20.9836 -20.9836 -20.6299 -20.6299 -18.7750 -18.7750 -18.5386 -18.5386 -18.2903 -18.2903 -5.3299 -5.3297 -4.8078 -4.8077 -3.5522 -3.5511 -2.7110 -2.7085 -2.5871 -2.5838 -2.3180 -2.3088 -1.8590 -1.8546 -1.5724 -1.5661 -1.3081 -1.3028 -0.9779 -0.9719 -0.6422 -0.6419 -0.4568 -0.4527 -0.0818 -0.0815 0.7263 0.7271 0.7724 0.7760 1.0762 1.0786 1.1628 1.1631 1.5972 1.5996 12.0229 12.0233 12.1025 12.1029 14.6056 14.6060 14.7290 14.7291 16.1992 16.2002 k = 0.5000-0.2345-0.3166 ( 3506 PWs) bands (ev): -21.2114 -21.2113 -20.9869 -20.9868 -20.6310 -20.6310 -18.7712 -18.7712 -18.5447 -18.5446 -18.2898 -18.2898 -5.3154 -5.3151 -4.8100 -4.8099 -3.5559 -3.5547 -2.7126 -2.7099 -2.5819 -2.5782 -2.3197 -2.3097 -1.8442 -1.8396 -1.5862 -1.5800 -1.2893 -1.2842 -1.0067 -1.0002 -0.6583 -0.6579 -0.4392 -0.4350 -0.0737 -0.0733 0.7173 0.7181 0.7600 0.7641 1.0849 1.0877 1.1680 1.1684 1.5810 1.5837 12.0455 12.0460 12.1245 12.1249 14.5933 14.5937 14.7097 14.7099 16.1572 16.1584 k = 0.5000-0.2255-0.3294 ( 3510 PWs) bands (ev): -21.2061 -21.2060 -20.9905 -20.9905 -20.6321 -20.6321 -18.7669 -18.7668 -18.5515 -18.5514 -18.2893 -18.2893 -5.2991 -5.2988 -4.8127 -4.8125 -3.5598 -3.5585 -2.7147 -2.7118 -2.5762 -2.5721 -2.3204 -2.3097 -1.8284 -1.8239 -1.5996 -1.5933 -1.2706 -1.2656 -1.0365 -1.0294 -0.6761 -0.6756 -0.4217 -0.4176 -0.0646 -0.0640 0.7076 0.7084 0.7463 0.7510 1.0943 1.0974 1.1736 1.1740 1.5629 1.5659 12.0710 12.0715 12.1493 12.1498 14.5781 14.5785 14.6876 14.6878 16.1171 16.1183 k = 0.5000-0.2165-0.3423 ( 3506 PWs) bands (ev): -21.2001 -21.2000 -20.9947 -20.9946 -20.6333 -20.6333 -18.7621 -18.7620 -18.5590 -18.5589 -18.2888 -18.2888 -5.2810 -5.2806 -4.8159 -4.8158 -3.5639 -3.5625 -2.7173 -2.7143 -2.5700 -2.5655 -2.3199 -2.3087 -1.8120 -1.8077 -1.6122 -1.6060 -1.2520 -1.2473 -1.0669 -1.0593 -0.6954 -0.6948 -0.4048 -0.4007 -0.0544 -0.0537 0.6971 0.6981 0.7316 0.7367 1.1042 1.1076 1.1793 1.1799 1.5431 1.5463 12.0993 12.0999 12.1768 12.1774 14.5597 14.5601 14.6627 14.6629 16.0796 16.0810 k = 0.5000-0.2076-0.3551 ( 3504 PWs) bands (ev): -21.1936 -21.1935 -20.9993 -20.9992 -20.6345 -20.6345 -18.7568 -18.7567 -18.5672 -18.5671 -18.2882 -18.2882 -5.2611 -5.2607 -4.8198 -4.8197 -3.5681 -3.5667 -2.7204 -2.7174 -2.5633 -2.5586 -2.3179 -2.3063 -1.7953 -1.7913 -1.6242 -1.6180 -1.2337 -1.2293 -1.0976 -1.0893 -0.7160 -0.7153 -0.3884 -0.3844 -0.0433 -0.0424 0.6860 0.6871 0.7159 0.7215 1.1147 1.1184 1.1852 1.1858 1.5218 1.5253 12.1304 12.1311 12.2070 12.2076 14.5377 14.5381 14.6349 14.6351 16.0455 16.0471 k = 0.5000-0.1986-0.3679 ( 3512 PWs) bands (ev): -21.1865 -21.1864 -21.0044 -21.0043 -20.6357 -20.6357 -18.7510 -18.7510 -18.5760 -18.5759 -18.2877 -18.2877 -5.2396 -5.2391 -4.8244 -4.8242 -3.5723 -3.5709 -2.7241 -2.7211 -2.5563 -2.5513 -2.3143 -2.3024 -1.7787 -1.7752 -1.6354 -1.6293 -1.2159 -1.2119 -1.1281 -1.1192 -0.7377 -0.7369 -0.3730 -0.3691 -0.0313 -0.0301 0.6743 0.6755 0.6994 0.7053 1.1256 1.1296 1.1909 1.1916 1.4993 1.5029 12.1643 12.1649 12.2399 12.2406 14.5119 14.5123 14.6042 14.6044 16.0155 16.0173 k = 0.5000-0.1897-0.3807 ( 3510 PWs) bands (ev): -21.1788 -21.1787 -21.0100 -21.0099 -20.6370 -20.6370 -18.7448 -18.7448 -18.5855 -18.5854 -18.2871 -18.2871 -5.2165 -5.2160 -4.8297 -4.8295 -3.5765 -3.5750 -2.7283 -2.7254 -2.5490 -2.5437 -2.3090 -2.2969 -1.7624 -1.7597 -1.6458 -1.6397 -1.1989 -1.1954 -1.1578 -1.1483 -0.7602 -0.7593 -0.3584 -0.3547 -0.0182 -0.0167 0.6617 0.6633 0.6823 0.6885 1.1367 1.1412 1.1963 1.1972 1.4757 1.4794 12.2007 12.2014 12.2754 12.2761 14.4820 14.4824 14.5706 14.5708 15.9899 15.9919 k = 0.5000-0.1807-0.3935 ( 3510 PWs) bands (ev): -21.1706 -21.1705 -21.0160 -21.0159 -20.6382 -20.6382 -18.7382 -18.7381 -18.5955 -18.5954 -18.2865 -18.2865 -5.1918 -5.1912 -4.8359 -4.8357 -3.5805 -3.5790 -2.7331 -2.7303 -2.5414 -2.5359 -2.3021 -2.2899 -1.7470 -1.7452 -1.6554 -1.6493 -1.1898 -1.1851 -1.1769 -1.1740 -0.7833 -0.7821 -0.3449 -0.3413 -0.0041 -0.0024 0.6479 0.6502 0.6652 0.6712 1.1481 1.1531 1.2011 1.2021 1.4515 1.4552 12.2398 12.2405 12.3134 12.3142 14.4479 14.4483 14.5342 14.5344 15.9691 15.9713 k = 0.5000-0.1717-0.4063 ( 3510 PWs) bands (ev): -21.1619 -21.1618 -21.0225 -21.0224 -20.6393 -20.6393 -18.7311 -18.7310 -18.6061 -18.6060 -18.2860 -18.2860 -5.1656 -5.1650 -4.8430 -4.8428 -3.5843 -3.5829 -2.7384 -2.7358 -2.5337 -2.5280 -2.2933 -2.2811 -1.7329 -1.7323 -1.6641 -1.6580 -1.2160 -1.2047 -1.1660 -1.1640 -0.8065 -0.8049 -0.3325 -0.3291 0.0110 0.0130 0.6323 0.6361 0.6489 0.6539 1.1596 1.1652 1.2049 1.2061 1.4273 1.4309 12.2813 12.2821 12.3538 12.3546 14.4096 14.4100 14.4951 14.4953 15.9532 15.9555 k = 0.5000-0.1628-0.4191 ( 3506 PWs) bands (ev): -21.1526 -21.1525 -21.0296 -21.0294 -20.6404 -20.6404 -18.7236 -18.7235 -18.6172 -18.6171 -18.2855 -18.2855 -5.1380 -5.1374 -4.8510 -4.8508 -3.5879 -3.5865 -2.7442 -2.7417 -2.5258 -2.5199 -2.2829 -2.2707 -1.7217 -1.7207 -1.6719 -1.6657 -1.2417 -1.2290 -1.1527 -1.1514 -0.8293 -0.8272 -0.3213 -0.3182 0.0271 0.0295 0.6144 0.6203 0.6337 0.6374 1.1708 1.1774 1.2072 1.2084 1.4039 1.4071 12.3253 12.3261 12.3966 12.3975 14.3672 14.3675 14.4534 14.4536 15.9422 15.9447 k = 0.5000-0.1538-0.4320 ( 3502 PWs) bands (ev): -21.1429 -21.1428 -21.0370 -21.0369 -20.6414 -20.6414 -18.7156 -18.7155 -18.6289 -18.6288 -18.2850 -18.2850 -5.1091 -5.1084 -4.8601 -4.8598 -3.5912 -3.5898 -2.7503 -2.7481 -2.5178 -2.5119 -2.2708 -2.2587 -1.7141 -1.7112 -1.6787 -1.6722 -1.2648 -1.2508 -1.1412 -1.1411 -0.8510 -0.8482 -0.3113 -0.3085 0.0443 0.0470 0.5947 0.6024 0.6195 0.6219 1.1808 1.1896 1.2078 1.2081 1.3826 1.3852 12.3716 12.3724 12.4417 12.4426 14.3208 14.3211 14.4092 14.4094 15.9359 15.9386 k = 0.5000-0.1448-0.4448 ( 3502 PWs) bands (ev): -21.1327 -21.1325 -21.0450 -21.0448 -20.6423 -20.6423 -18.7073 -18.7072 -18.6410 -18.6409 -18.2845 -18.2845 -5.0789 -5.0782 -4.8702 -4.8699 -3.5942 -3.5928 -2.7569 -2.7549 -2.5099 -2.5039 -2.2571 -2.2451 -1.7102 -1.7054 -1.6845 -1.6777 -1.2845 -1.2691 -1.1339 -1.1326 -0.8707 -0.8670 -0.3027 -0.3001 0.0626 0.0657 0.5737 0.5828 0.6057 0.6073 1.1860 1.1990 1.2066 1.2090 1.3647 1.3665 12.4201 12.4210 12.4889 12.4899 14.2706 14.2709 14.3626 14.3629 15.9342 15.9371 k = 0.5000-0.1359-0.4576 ( 3502 PWs) bands (ev): -21.1220 -21.1218 -21.0534 -21.0532 -20.6432 -20.6432 -18.6986 -18.6985 -18.6535 -18.6534 -18.2840 -18.2840 -5.0476 -5.0467 -4.8814 -4.8811 -3.5968 -3.5955 -2.7637 -2.7620 -2.5020 -2.4959 -2.2418 -2.2300 -1.7103 -1.7039 -1.6890 -1.6824 -1.3000 -1.2832 -1.1308 -1.1279 -0.8874 -0.8825 -0.2955 -0.2932 0.0820 0.0854 0.5519 0.5621 0.5921 0.5932 1.1798 1.1913 1.2159 1.2165 1.3519 1.3526 12.4707 12.4717 12.5382 12.5392 14.2171 14.2174 14.3139 14.3142 15.9367 15.9398 k = 0.5000-0.1269-0.4704 ( 3494 PWs) bands (ev): -21.1108 -21.1107 -21.0622 -21.0621 -20.6439 -20.6439 -18.6895 -18.6894 -18.6664 -18.6663 -18.2836 -18.2836 -5.0151 -5.0142 -4.8937 -4.8933 -3.5990 -3.5978 -2.7707 -2.7692 -2.4942 -2.4881 -2.2251 -2.2135 -1.7143 -1.7067 -1.6931 -1.6872 -1.3106 -1.2925 -1.1326 -1.1279 -0.8999 -0.8937 -0.2896 -0.2877 0.1024 0.1063 0.5294 0.5405 0.5785 0.5793 1.1635 1.1746 1.2265 1.2291 1.3446 1.3446 12.5234 12.5244 12.5895 12.5904 14.1607 14.1609 14.2632 14.2635 15.9431 15.9463 k = 0.5000-0.1180-0.4832 ( 3492 PWs) bands (ev): -21.0993 -21.0991 -21.0714 -21.0713 -20.6445 -20.6445 -18.6801 -18.6800 -18.6797 -18.6796 -18.2832 -18.2832 -4.9817 -4.9807 -4.9071 -4.9067 -3.6009 -3.5998 -2.7779 -2.7767 -2.4865 -2.4804 -2.2071 -2.1957 -1.7219 -1.7135 -1.6975 -1.6923 -1.3160 -1.2968 -1.1399 -1.1335 -0.9074 -0.9000 -0.2852 -0.2836 0.1239 0.1282 0.5063 0.5183 0.5649 0.5655 1.1406 1.1518 1.2383 1.2419 1.3418 1.3424 12.5780 12.5790 12.6425 12.6435 14.1016 14.1019 14.2107 14.2110 15.9530 15.9564 k = 0.5000-0.1090-0.4960 ( 3492 PWs) bands (ev): -21.0873 -21.0872 -21.0811 -21.0809 -20.6449 -20.6449 -18.6934 -18.6933 -18.6703 -18.6702 -18.2828 -18.2828 -4.9473 -4.9463 -4.9216 -4.9212 -3.6024 -3.6014 -2.7853 -2.7843 -2.4789 -2.4728 -2.1878 -2.1767 -1.7334 -1.7244 -1.7017 -1.6973 -1.3164 -1.2964 -1.1523 -1.1445 -0.9098 -0.9015 -0.2822 -0.2810 0.1466 0.1513 0.4829 0.4957 0.5513 0.5517 1.1129 1.1244 1.2506 1.2548 1.3431 1.3440 12.6343 12.6353 12.6971 12.6981 14.0405 14.0408 14.1566 14.1569 15.9660 15.9695 k = 0.5000-0.1000-0.5088 ( 3488 PWs) bands (ev): -21.0911 -21.0910 -21.0750 -21.0748 -20.6453 -20.6453 -18.7073 -18.7072 -18.6602 -18.6601 -18.2825 -18.2825 -4.9373 -4.9370 -4.9121 -4.9109 -3.6036 -3.6027 -2.7928 -2.7919 -2.4716 -2.4655 -2.1675 -2.1566 -1.7489 -1.7396 -1.7053 -1.7018 -1.3122 -1.2917 -1.1689 -1.1600 -0.9077 -0.8988 -0.2807 -0.2800 0.1703 0.1755 0.4592 0.4728 0.5377 0.5379 1.0819 1.0937 1.2629 1.2677 1.3472 1.3483 12.6922 12.6933 12.7530 12.7541 13.9777 13.9780 14.1011 14.1014 15.9816 15.9854 k = 0.5000-0.0911-0.5217 ( 3494 PWs) bands (ev): -21.1015 -21.1013 -21.0623 -21.0621 -20.6455 -20.6455 -18.7216 -18.7214 -18.6499 -18.6498 -18.2822 -18.2822 -4.9541 -4.9537 -4.8762 -4.8749 -3.6045 -3.6037 -2.8004 -2.7997 -2.4644 -2.4584 -2.1462 -2.1356 -1.7677 -1.7582 -1.7083 -1.7056 -1.3042 -1.2834 -1.1885 -1.1790 -0.9022 -0.8931 -0.2808 -0.2805 0.1950 0.2008 0.4352 0.4496 0.5241 0.5242 1.0486 1.0607 1.2753 1.2806 1.3533 1.3545 12.7515 12.7526 12.8100 12.8111 13.9140 13.9143 14.0445 14.0449 15.9995 16.0035 k = 0.5000-0.0821-0.5345 ( 3494 PWs) bands (ev): -21.1122 -21.1120 -21.0493 -21.0491 -20.6456 -20.6456 -18.7360 -18.7359 -18.6392 -18.6391 -18.2820 -18.2820 -4.9719 -4.9715 -4.8396 -4.8383 -3.6052 -3.6045 -2.8080 -2.8076 -2.4574 -2.4515 -2.1242 -2.1140 -1.7888 -1.7791 -1.7110 -1.7090 -1.2932 -1.2721 -1.2100 -1.2000 -0.8943 -0.8850 -0.2824 -0.2823 0.2207 0.2270 0.4112 0.4263 0.5105 0.5108 1.0138 1.0261 1.2878 1.2934 1.3607 1.3620 12.8120 12.8131 12.8676 12.8687 13.8498 13.8502 13.9872 13.9875 16.0193 16.0234 k = 0.5000-0.0732-0.5473 ( 3492 PWs) bands (ev): -21.1232 -21.1230 -21.0360 -21.0358 -20.6456 -20.6456 -18.7507 -18.7506 -18.6283 -18.6282 -18.2817 -18.2817 -4.9907 -4.9903 -4.8025 -4.8011 -3.6056 -3.6051 -2.8159 -2.8155 -2.4507 -2.4448 -2.1019 -2.0921 -1.8111 -1.8013 -1.7136 -1.7123 -1.2802 -1.2585 -1.2318 -1.2220 -0.8847 -0.8754 -0.2860 -0.2854 0.2471 0.2541 0.3871 0.4029 0.4970 0.4977 0.9779 0.9905 1.3001 1.3062 1.3691 1.3704 12.8734 12.8746 12.9251 12.9262 13.7863 13.7866 13.9293 13.9297 16.0406 16.0449 k = 0.5000-0.0642-0.5601 ( 3492 PWs) bands (ev): -21.1345 -21.1343 -21.0224 -21.0222 -20.6455 -20.6455 -18.7655 -18.7654 -18.6172 -18.6171 -18.2815 -18.2815 -5.0105 -5.0101 -4.7650 -4.7635 -3.6059 -3.6055 -2.8238 -2.8236 -2.4441 -2.4383 -2.0796 -2.0704 -1.8337 -1.8234 -1.7165 -1.7157 -1.2694 -1.2499 -1.2466 -1.2409 -0.8741 -0.8649 -0.2910 -0.2900 0.2741 0.2818 0.3631 0.3796 0.4840 0.4850 0.9413 0.9541 1.3124 1.3189 1.3782 1.3795 12.9353 12.9365 12.9815 12.9826 13.7244 13.7249 13.8714 13.8718 16.0631 16.0676 k = 0.5000-0.0552-0.5729 ( 3498 PWs) bands (ev): -21.1459 -21.1458 -21.0086 -21.0084 -20.6453 -20.6453 -18.7805 -18.7804 -18.6059 -18.6058 -18.2814 -18.2814 -5.0313 -5.0309 -4.7271 -4.7255 -3.6061 -3.6059 -2.8320 -2.8319 -2.4378 -2.4320 -2.0583 -2.0499 -1.8550 -1.8442 -1.7199 -1.7196 -1.2810 -1.2665 -1.2435 -1.2260 -0.8629 -0.8538 -0.2976 -0.2961 0.3007 0.3096 0.3398 0.3565 0.4718 0.4733 0.9042 0.9172 1.3246 1.3316 1.3878 1.3892 12.9971 12.9983 13.0349 13.0359 13.6664 13.6669 13.8141 13.8146 16.0864 16.0910 k = 0.5000-0.0463-0.5857 ( 3488 PWs) bands (ev): -21.1576 -21.1575 -20.9945 -20.9944 -20.6449 -20.6449 -18.7956 -18.7955 -18.5944 -18.5942 -18.2813 -18.2813 -5.0528 -5.0524 -4.6890 -4.6873 -3.6063 -3.6062 -2.8404 -2.8404 -2.4316 -2.4259 -2.0396 -2.0321 -1.8731 -1.8614 -1.7241 -1.7241 -1.3007 -1.2870 -1.2268 -1.2084 -0.8513 -0.8423 -0.3057 -0.3036 0.3117 0.3296 0.3315 0.3407 0.4612 0.4633 0.8669 0.8801 1.3367 1.3441 1.3977 1.3992 13.0580 13.0591 13.0823 13.0832 13.6153 13.6160 13.7583 13.7589 16.1101 16.1150 k = 0.5000-0.0373-0.5985 ( 3488 PWs) bands (ev): -21.1695 -21.1693 -20.9803 -20.9801 -20.6445 -20.6445 -18.8107 -18.8106 -18.5827 -18.5826 -18.2812 -18.2812 -5.0751 -5.0747 -4.6507 -4.6490 -3.6065 -3.6065 -2.8492 -2.8492 -2.4256 -2.4199 -2.0264 -2.0200 -1.8848 -1.8721 -1.7295 -1.7294 -1.3196 -1.3061 -1.2085 -1.1901 -0.8396 -0.8307 -0.3151 -0.3126 0.2902 0.3092 0.3530 0.3624 0.4548 0.4573 0.8295 0.8429 1.3487 1.3564 1.4080 1.4095 13.1161 13.1171 13.1185 13.1195 13.5767 13.5776 13.7056 13.7062 16.1341 16.1391 k = 0.5000-0.0283-0.6114 ( 3484 PWs) bands (ev): -21.1815 -21.1813 -20.9659 -20.9658 -20.6439 -20.6439 -18.8259 -18.8258 -18.5709 -18.5708 -18.2811 -18.2811 -5.0981 -5.0977 -4.6123 -4.6106 -3.6069 -3.6068 -2.8583 -2.8583 -2.4197 -2.4141 -2.0221 -2.0165 -1.8862 -1.8728 -1.7362 -1.7360 -1.3366 -1.3232 -1.1895 -1.1712 -0.8279 -0.8191 -0.3260 -0.3230 0.2671 0.2866 0.3691 0.3781 0.4578 0.4595 0.7922 0.8057 1.3605 1.3687 1.4185 1.4201 13.1355 13.1360 13.1696 13.1707 13.5581 13.5592 13.6587 13.6594 16.1579 16.1630 k = 0.5000-0.0194-0.6242 ( 3484 PWs) bands (ev): -21.1935 -21.1934 -20.9514 -20.9512 -20.6433 -20.6433 -18.8411 -18.8410 -18.5590 -18.5589 -18.2811 -18.2811 -5.1218 -5.1214 -4.5740 -4.5722 -3.6075 -3.6072 -2.8680 -2.8679 -2.4140 -2.4084 -2.0278 -2.0223 -1.8763 -1.8628 -1.7442 -1.7441 -1.3512 -1.3381 -1.1702 -1.1521 -0.8162 -0.8076 -0.3381 -0.3348 0.2442 0.2641 0.3739 0.3807 0.4740 0.4748 0.7550 0.7687 1.3721 1.3807 1.4291 1.4308 13.1283 13.1287 13.2127 13.2136 13.5652 13.5665 13.6224 13.6233 16.1812 16.1866 k = 0.7554 0.1237-0.2323 ( 3484 PWs) bands (ev): -21.1935 -21.1934 -20.9514 -20.9512 -20.6433 -20.6433 -18.8411 -18.8410 -18.5590 -18.5589 -18.2811 -18.2811 -5.1218 -5.1214 -4.5740 -4.5722 -3.6075 -3.6072 -2.8680 -2.8679 -2.4140 -2.4084 -2.0278 -2.0223 -1.8763 -1.8628 -1.7442 -1.7441 -1.3512 -1.3381 -1.1702 -1.1521 -0.8162 -0.8076 -0.3381 -0.3348 0.2442 0.2641 0.3739 0.3807 0.4740 0.4748 0.7550 0.7687 1.3721 1.3807 1.4291 1.4308 13.1283 13.1287 13.2127 13.2136 13.5652 13.5665 13.6224 13.6233 16.1812 16.1866 k = 0.7477 0.1285-0.2194 ( 3480 PWs) bands (ev): -21.2058 -21.2057 -20.9366 -20.9365 -20.6426 -20.6426 -18.8564 -18.8563 -18.5468 -18.5467 -18.2811 -18.2811 -5.1463 -5.1459 -4.5354 -4.5334 -3.6083 -3.6079 -2.8783 -2.8783 -2.4083 -2.4027 -2.0405 -2.0347 -1.8575 -1.8444 -1.7540 -1.7537 -1.3635 -1.3506 -1.1504 -1.1326 -0.8046 -0.7961 -0.3517 -0.3479 0.2213 0.2416 0.3694 0.3741 0.4992 0.5022 0.7178 0.7315 1.3837 1.3928 1.4400 1.4417 13.0979 13.0981 13.2383 13.2390 13.5969 13.5984 13.6046 13.6057 16.2041 16.2097 k = 0.7399 0.1332-0.2064 ( 3478 PWs) bands (ev): -21.2182 -21.2180 -20.9218 -20.9216 -20.6418 -20.6418 -18.8717 -18.8716 -18.5346 -18.5345 -18.2811 -18.2811 -5.1712 -5.1708 -4.4969 -4.4949 -3.6094 -3.6089 -2.8894 -2.8893 -2.4027 -2.3970 -2.0566 -2.0504 -1.8336 -1.8209 -1.7655 -1.7647 -1.3730 -1.3605 -1.1305 -1.1129 -0.7931 -0.7847 -0.3664 -0.3623 0.1987 0.2194 0.3600 0.3634 0.5299 0.5344 0.6811 0.6947 1.3952 1.4046 1.4509 1.4528 13.0513 13.0514 13.2386 13.2391 13.6123 13.6137 13.6465 13.6481 16.2260 16.2318 k = 0.7322 0.1379-0.1934 ( 3478 PWs) bands (ev): -21.2305 -21.2303 -20.9069 -20.9068 -20.6410 -20.6410 -18.8869 -18.8868 -18.5224 -18.5223 -18.2811 -18.2811 -5.1965 -5.1961 -4.4588 -4.4567 -3.6107 -3.6101 -2.9012 -2.9012 -2.3972 -2.3915 -2.0737 -2.0669 -1.8074 -1.7948 -1.7784 -1.7766 -1.3798 -1.3679 -1.1105 -1.0933 -0.7819 -0.7736 -0.3822 -0.3777 0.1766 0.1974 0.3485 0.3511 0.5634 0.5686 0.6453 0.6585 1.4064 1.4163 1.4618 1.4638 12.9951 12.9952 13.2147 13.2151 13.6451 13.6467 13.7072 13.7088 16.2466 16.2526 k = 0.7245 0.1427-0.1804 ( 3484 PWs) bands (ev): -21.2428 -21.2426 -20.8921 -20.8919 -20.6401 -20.6401 -18.9019 -18.9018 -18.5102 -18.5101 -18.2812 -18.2812 -5.2221 -5.2217 -4.4211 -4.4189 -3.6124 -3.6117 -2.9139 -2.9138 -2.3918 -2.3860 -2.0904 -2.0832 -1.7937 -1.7936 -1.7755 -1.7661 -1.3841 -1.3729 -1.0906 -1.0739 -0.7708 -0.7627 -0.3988 -0.3941 0.1548 0.1757 0.3359 0.3379 0.5967 0.5980 0.6177 0.6234 1.4174 1.4277 1.4728 1.4748 12.9335 12.9336 13.1744 13.1747 13.6949 13.6966 13.7748 13.7765 16.2657 16.2719 k = 0.7167 0.1474-0.1674 ( 3492 PWs) bands (ev): -21.2550 -21.2548 -20.8773 -20.8771 -20.6392 -20.6392 -18.9168 -18.9167 -18.4980 -18.4979 -18.2814 -18.2814 -5.2479 -5.2475 -4.3838 -4.3816 -3.6145 -3.6137 -2.9276 -2.9274 -2.3864 -2.3805 -2.1059 -2.0984 -1.8092 -1.8071 -1.7475 -1.7372 -1.3861 -1.3756 -1.0709 -1.0545 -0.7601 -0.7520 -0.4162 -0.4112 0.1333 0.1543 0.3229 0.3244 0.5714 0.5867 0.6360 0.6450 1.4282 1.4389 1.4837 1.4858 12.8692 12.8693 13.1249 13.1252 13.7545 13.7563 13.8470 13.8488 16.2827 16.2893 k = 0.7090 0.1522-0.1545 ( 3488 PWs) bands (ev): -21.2671 -21.2669 -20.8626 -20.8624 -20.6382 -20.6382 -18.9315 -18.9314 -18.4859 -18.4858 -18.2815 -18.2815 -5.2737 -5.2734 -4.3471 -4.3448 -3.6169 -3.6160 -2.9422 -2.9421 -2.3811 -2.3751 -2.1199 -2.1120 -1.8257 -1.8225 -1.7177 -1.7076 -1.3861 -1.3764 -1.0512 -1.0353 -0.7495 -0.7416 -0.4342 -0.4290 0.1122 0.1331 0.3095 0.3108 0.5378 0.5526 0.6729 0.6820 1.4388 1.4500 1.4945 1.4966 12.8034 12.8035 13.0704 13.0707 13.8197 13.8215 13.9224 13.9242 16.2909 16.2964 k = 0.7012 0.1569-0.1415 ( 3488 PWs) bands (ev): -21.2790 -21.2789 -20.8479 -20.8478 -20.6372 -20.6372 -18.9460 -18.9459 -18.4739 -18.4738 -18.2816 -18.2816 -5.2996 -5.2993 -4.3109 -4.3086 -3.6198 -3.6188 -2.9579 -2.9577 -2.3759 -2.3697 -2.1322 -2.1239 -1.8428 -1.8386 -1.6875 -1.6778 -1.3844 -1.3755 -1.0316 -1.0163 -0.7393 -0.7315 -0.4527 -0.4474 0.0914 0.1121 0.2961 0.2971 0.5046 0.5191 0.7104 0.7199 1.4492 1.4608 1.5051 1.5074 12.7371 12.7372 13.0133 13.0136 13.8880 13.8898 14.0001 14.0019 16.2827 16.2875 k = 0.6935 0.1616-0.1285 ( 3494 PWs) bands (ev): -21.2908 -21.2907 -20.8335 -20.8333 -20.6362 -20.6362 -18.9602 -18.9601 -18.4620 -18.4619 -18.2818 -18.2818 -5.3253 -5.3251 -4.2755 -4.2730 -3.6230 -3.6220 -2.9746 -2.9743 -2.3707 -2.3643 -2.1425 -2.1340 -1.8601 -1.8550 -1.6572 -1.6481 -1.3814 -1.3732 -1.0123 -0.9976 -0.7292 -0.7216 -0.4715 -0.4660 0.0709 0.0912 0.2827 0.2834 0.4722 0.4864 0.7481 0.7581 1.4593 1.4714 1.5157 1.5180 12.6709 12.6710 12.9550 12.9553 13.9579 13.9598 14.0796 14.0814 16.2741 16.2786 k = 0.6858 0.1664-0.1155 ( 3492 PWs) bands (ev): -21.3024 -21.3022 -20.8192 -20.8190 -20.6352 -20.6352 -18.9741 -18.9740 -18.4502 -18.4501 -18.2820 -18.2820 -5.3509 -5.3507 -4.2407 -4.2382 -3.6266 -3.6255 -2.9923 -2.9920 -2.3657 -2.3590 -2.1508 -2.1420 -1.8774 -1.8715 -1.6272 -1.6186 -1.3772 -1.3697 -0.9930 -0.9790 -0.7195 -0.7120 -0.4904 -0.4848 0.0505 0.0705 0.2693 0.2698 0.4408 0.4546 0.7859 0.7964 1.4694 1.4819 1.5261 1.5285 12.6053 12.6054 12.8963 12.8966 14.0287 14.0306 14.1603 14.1622 16.2661 16.2702 k = 0.6780 0.1711-0.1026 ( 3488 PWs) bands (ev): -21.3137 -21.3136 -20.8051 -20.8050 -20.6341 -20.6341 -18.9877 -18.9877 -18.4387 -18.4386 -18.2822 -18.2822 -5.3762 -5.3760 -4.2067 -4.2042 -3.6306 -3.6294 -3.0110 -3.0106 -2.3607 -2.3538 -2.1571 -2.1481 -1.8944 -1.8877 -1.5975 -1.5895 -1.3721 -1.3653 -0.9739 -0.9606 -0.7099 -0.7027 -0.5092 -0.5036 0.0304 0.0497 0.2561 0.2564 0.4104 0.4239 0.8235 0.8344 1.4792 1.4921 1.5362 1.5387 12.5406 12.5407 12.8377 12.8380 14.0996 14.1016 14.2421 14.2439 16.2588 16.2627 k = 0.6703 0.1759-0.0896 ( 3500 PWs) bands (ev): -21.3248 -21.3247 -20.7913 -20.7912 -20.6331 -20.6331 -19.0010 -19.0009 -18.4273 -18.4272 -18.2825 -18.2825 -5.4012 -5.4010 -4.1736 -4.1710 -3.6349 -3.6337 -3.0305 -3.0301 -2.3558 -2.3487 -2.1614 -2.1523 -1.9111 -1.9036 -1.5685 -1.5611 -1.3664 -1.3602 -0.9550 -0.9425 -0.7007 -0.6936 -0.5279 -0.5223 0.0104 0.0290 0.2430 0.2432 0.3812 0.3943 0.8608 0.8721 1.4889 1.5022 1.5462 1.5487 12.4770 12.4771 12.7798 12.7800 14.1701 14.1722 14.3245 14.3264 16.2527 16.2563 k = 0.6625 0.1806-0.0766 ( 3504 PWs) bands (ev): -21.3356 -21.3355 -20.7778 -20.7777 -20.6321 -20.6321 -19.0139 -19.0138 -18.4163 -18.4162 -18.2827 -18.2827 -5.4258 -5.4255 -4.1412 -4.1387 -3.6395 -3.6383 -3.0507 -3.0503 -2.3510 -2.3436 -2.1639 -2.1546 -1.9272 -1.9189 -1.5402 -1.5336 -1.3601 -1.3546 -0.9361 -0.9246 -0.6917 -0.6848 -0.5462 -0.5407 -0.0096 0.0083 0.2301 0.2302 0.3532 0.3658 0.8975 0.9093 1.4984 1.5121 1.5559 1.5585 12.4148 12.4149 12.7226 12.7229 14.2399 14.2420 14.4073 14.4093 16.2481 16.2513 k = 0.6548 0.1853-0.0636 ( 3506 PWs) bands (ev): -21.3461 -21.3459 -20.7647 -20.7645 -20.6311 -20.6311 -19.0264 -19.0263 -18.4054 -18.4053 -18.2830 -18.2830 -5.4498 -5.4496 -4.1098 -4.1072 -3.6444 -3.6432 -3.0716 -3.0712 -2.3463 -2.3387 -2.1646 -2.1553 -1.9426 -1.9336 -1.5129 -1.5070 -1.3536 -1.3485 -0.9173 -0.9068 -0.6830 -0.6763 -0.5641 -0.5586 -0.0294 -0.0125 0.2174 0.2175 0.3264 0.3385 0.9336 0.9457 1.5078 1.5219 1.5653 1.5680 12.3542 12.3543 12.6667 12.6669 14.3084 14.3107 14.4904 14.4923 16.2453 16.2482 k = 0.6471 0.1901-0.0506 ( 3512 PWs) bands (ev): -21.3562 -21.3561 -20.7519 -20.7517 -20.6301 -20.6301 -19.0385 -19.0384 -18.3949 -18.3948 -18.2832 -18.2832 -5.4732 -5.4730 -4.0793 -4.0767 -3.6495 -3.6483 -3.0931 -3.0927 -2.3419 -2.3340 -2.1637 -2.1544 -1.9571 -1.9477 -1.4866 -1.4815 -1.3468 -1.3423 -0.8987 -0.8893 -0.6745 -0.6681 -0.5812 -0.5758 -0.0492 -0.0333 0.2049 0.2051 0.3010 0.3124 0.9688 0.9812 1.5172 1.5316 1.5745 1.5772 12.2954 12.2955 12.6120 12.6123 14.3755 14.3778 14.5733 14.5752 16.2445 16.2470 k = 0.6393 0.1948-0.0377 ( 3514 PWs) bands (ev): -21.3659 -21.3658 -20.7395 -20.7393 -20.6291 -20.6291 -19.0501 -19.0500 -18.3848 -18.3847 -18.2835 -18.2835 -5.4959 -5.4957 -4.0497 -4.0471 -3.6548 -3.6536 -3.1149 -3.1145 -2.3375 -2.3295 -2.1614 -2.1521 -1.9709 -1.9609 -1.4616 -1.4572 -1.3398 -1.3358 -0.8802 -0.8719 -0.6664 -0.6602 -0.5975 -0.5923 -0.0689 -0.0541 0.1928 0.1931 0.2769 0.2877 1.0029 1.0155 1.5264 1.5412 1.5833 1.5861 12.2386 12.2387 12.5590 12.5592 14.4406 14.4429 14.6558 14.6578 16.2461 16.2483 k = 0.6316 0.1996-0.0247 ( 3508 PWs) bands (ev): -21.3753 -21.3752 -20.7275 -20.7274 -20.6282 -20.6281 -19.0612 -19.0611 -18.3750 -18.3749 -18.2838 -18.2838 -5.5178 -5.5177 -4.0210 -4.0184 -3.6602 -3.6590 -3.1369 -3.1367 -2.3334 -2.3251 -2.1578 -2.1486 -1.9837 -1.9732 -1.4379 -1.4344 -1.3329 -1.3293 -0.8618 -0.8547 -0.6587 -0.6529 -0.6127 -0.6077 -0.0886 -0.0750 0.1810 0.1814 0.2542 0.2642 1.0358 1.0487 1.5356 1.5506 1.5919 1.5946 12.1838 12.1839 12.5076 12.5079 14.5033 14.5058 14.7376 14.7396 16.2505 16.2523 k = 0.6238 0.2043-0.0117 ( 3508 PWs) bands (ev): -21.3842 -21.3841 -20.7160 -20.7159 -20.6272 -20.6272 -19.0719 -19.0718 -18.3656 -18.3655 -18.2840 -18.2840 -5.5389 -5.5388 -3.9933 -3.9907 -3.6657 -3.6646 -3.1591 -3.1589 -2.3295 -2.3211 -2.1531 -2.1440 -1.9955 -1.9848 -1.4157 -1.4130 -1.3261 -1.3229 -0.8437 -0.8378 -0.6516 -0.6466 -0.6260 -0.6216 -0.1082 -0.0958 0.1696 0.1701 0.2328 0.2421 1.0673 1.0803 1.5448 1.5600 1.6001 1.6029 12.1313 12.1314 12.4582 12.4585 14.5635 14.5660 14.8183 14.8203 16.2578 16.2592 k = 0.6161 0.2090 0.0013 ( 3512 PWs) bands (ev): -21.3927 -21.3926 -20.7050 -20.7049 -20.6264 -20.6264 -19.0820 -19.0819 -18.3566 -18.3565 -18.2843 -18.2843 -5.5592 -5.5590 -3.9665 -3.9640 -3.6712 -3.6701 -3.1813 -3.1812 -2.3258 -2.3173 -2.1476 -2.1387 -2.0064 -1.9954 -1.3951 -1.3932 -1.3194 -1.3165 -0.8260 -0.8213 -0.6469 -0.6460 -0.6327 -0.6323 -0.1277 -0.1166 0.1587 0.1592 0.2129 0.2214 1.0973 1.1103 1.5540 1.5692 1.6079 1.6108 12.0812 12.0813 12.4109 12.4111 14.6206 14.6232 14.8975 14.8995 16.2683 16.2694 k = 0.6084 0.2138 0.0142 ( 3512 PWs) bands (ev): -21.4008 -21.4007 -20.6946 -20.6945 -20.6255 -20.6255 -19.0915 -19.0915 -18.3480 -18.3479 -18.2846 -18.2846 -5.5784 -5.5783 -3.9408 -3.9383 -3.6767 -3.6756 -3.2034 -3.2033 -2.3224 -2.3138 -2.1413 -2.1326 -2.0162 -2.0052 -1.3760 -1.3749 -1.3129 -1.3103 -0.8090 -0.8055 -0.6545 -0.6512 -0.6327 -0.6288 -0.1470 -0.1373 0.1482 0.1487 0.1943 0.2021 1.1256 1.1385 1.5631 1.5783 1.6154 1.6183 12.0337 12.0338 12.3658 12.3661 14.6744 14.6770 14.9747 14.9766 16.2823 16.2830 k = 0.6006 0.2185 0.0272 ( 3518 PWs) bands (ev): -21.4084 -21.4083 -20.6847 -20.6846 -20.6247 -20.6247 -19.1005 -19.1005 -18.3400 -18.3399 -18.2848 -18.2848 -5.5966 -5.5965 -3.9161 -3.9137 -3.6821 -3.6811 -3.2252 -3.2251 -2.3192 -2.3107 -2.1345 -2.1262 -2.0251 -2.0141 -1.3587 -1.3583 -1.3066 -1.3043 -0.7931 -0.7907 -0.6633 -0.6596 -0.6272 -0.6230 -0.1662 -0.1577 0.1382 0.1387 0.1770 0.1841 1.1521 1.1649 1.5722 1.5872 1.6226 1.6254 11.9888 11.9889 12.3231 12.3233 14.7246 14.7272 15.0493 15.0513 16.2998 16.3002 k = 0.5929 0.2233 0.0402 ( 3510 PWs) bands (ev): -21.4155 -21.4154 -20.6755 -20.6754 -20.6240 -20.6240 -19.1090 -19.1089 -18.3324 -18.3323 -18.2851 -18.2851 -5.6137 -5.6137 -3.8924 -3.8900 -3.6873 -3.6863 -3.2466 -3.2465 -2.3162 -2.3079 -2.1274 -2.1194 -2.0330 -2.0221 -1.3433 -1.3431 -1.3007 -1.2986 -0.7791 -0.7776 -0.6698 -0.6664 -0.6212 -0.6171 -0.1850 -0.1779 0.1288 0.1293 0.1611 0.1675 1.1767 1.1891 1.5813 1.5959 1.6294 1.6322 11.9467 11.9468 12.2830 12.2832 14.7710 14.7735 15.1208 15.1228 16.3210 16.3210 k = 0.5851 0.2280 0.0532 ( 3508 PWs) bands (ev): -21.4220 -21.4220 -20.6668 -20.6667 -20.6233 -20.6232 -19.1168 -19.1167 -18.3253 -18.3253 -18.2853 -18.2853 -5.6297 -5.6296 -3.8697 -3.8675 -3.6923 -3.6914 -3.2675 -3.2674 -2.3136 -2.3054 -2.1201 -2.1124 -2.0400 -2.0294 -1.3298 -1.3291 -1.2950 -1.2932 -0.7681 -0.7671 -0.6726 -0.6700 -0.6153 -0.6116 -0.2036 -0.1977 0.1199 0.1204 0.1465 0.1522 1.1993 1.2113 1.5901 1.6043 1.6359 1.6386 11.9075 11.9076 12.2455 12.2457 14.8133 14.8158 15.1886 15.1904 16.3454 16.3457 k = 0.5774 0.2327 0.0661 ( 3514 PWs) bands (ev): -21.4281 -21.4280 -20.6588 -20.6587 -20.6226 -20.6226 -19.1240 -19.1239 -18.3188 -18.3187 -18.2855 -18.2855 -5.6445 -5.6444 -3.8482 -3.8461 -3.6970 -3.6962 -3.2878 -3.2877 -2.3111 -2.3033 -2.1127 -2.1056 -2.0460 -2.0358 -1.3178 -1.3168 -1.2898 -1.2880 -0.7611 -0.7602 -0.6707 -0.6694 -0.6096 -0.6063 -0.2217 -0.2170 0.1117 0.1121 0.1333 0.1383 1.2199 1.2313 1.5988 1.6122 1.6421 1.6446 11.8714 11.8714 12.2108 12.2110 14.8515 14.8539 15.2518 15.2536 16.3732 16.3737 k = 0.5697 0.2375 0.0791 ( 3510 PWs) bands (ev): -21.4336 -21.4335 -20.6515 -20.6514 -20.6220 -20.6220 -19.1305 -19.1305 -18.3128 -18.3128 -18.2857 -18.2857 -5.6580 -5.6579 -3.8278 -3.8258 -3.7014 -3.7007 -3.3073 -3.3071 -2.3089 -2.3015 -2.1055 -2.0989 -2.0512 -2.0416 -1.3073 -1.3061 -1.2850 -1.2833 -0.7582 -0.7572 -0.6643 -0.6642 -0.6043 -0.6014 -0.2393 -0.2358 0.1041 0.1044 0.1213 0.1258 1.2384 1.2492 1.6071 1.6197 1.6480 1.6503 11.8383 11.8384 12.1790 12.1792 14.8855 14.8878 15.3098 15.3116 16.4035 16.4039 k = 0.5619 0.2422 0.0921 ( 3504 PWs) bands (ev): -21.4386 -21.4385 -20.6449 -20.6448 -20.6215 -20.6215 -19.1364 -19.1364 -18.3074 -18.3074 -18.2859 -18.2859 -5.6702 -5.6701 -3.8087 -3.8068 -3.7054 -3.7048 -3.3259 -3.3256 -2.3070 -2.3001 -2.0986 -2.0925 -2.0555 -2.0466 -1.2982 -1.2970 -1.2805 -1.2788 -0.7586 -0.7573 -0.6556 -0.6542 -0.5993 -0.5969 -0.2562 -0.2537 0.0971 0.0974 0.1107 0.1146 1.2549 1.2648 1.6150 1.6264 1.6536 1.6556 11.8085 11.8086 12.1503 12.1504 14.9154 14.9176 15.3622 15.3638 16.4286 16.4320 k = 0.5542 0.2470 0.1051 ( 3502 PWs) bands (ev): -21.4430 -21.4429 -20.6390 -20.6390 -20.6210 -20.6210 -19.1417 -19.1417 -18.3026 -18.3026 -18.2861 -18.2861 -5.6810 -5.6810 -3.7910 -3.7893 -3.7090 -3.7085 -3.3432 -3.3429 -2.3052 -2.2990 -2.0921 -2.0867 -2.0591 -2.0510 -1.2905 -1.2893 -1.2765 -1.2748 -0.7607 -0.7593 -0.6447 -0.6422 -0.5947 -0.5928 -0.2723 -0.2708 0.0909 0.0910 0.1013 0.1047 1.2694 1.2783 1.6222 1.6323 1.6589 1.6605 11.7820 11.7820 12.1246 12.1248 14.9412 14.9433 15.4083 15.4097 16.4570 16.4602 k = 0.5464 0.2517 0.1181 ( 3498 PWs) bands (ev): -21.4468 -21.4468 -20.6339 -20.6338 -20.6205 -20.6205 -19.1463 -19.1462 -18.2985 -18.2984 -18.2863 -18.2863 -5.6905 -5.6905 -3.7748 -3.7734 -3.7121 -3.7117 -3.3593 -3.3589 -2.3037 -2.2982 -2.0862 -2.0814 -2.0619 -2.0548 -1.2840 -1.2830 -1.2729 -1.2711 -0.7636 -0.7623 -0.6330 -0.6297 -0.5903 -0.5891 -0.2874 -0.2867 0.0854 0.0854 0.0933 0.0963 1.2819 1.2897 1.6288 1.6374 1.6638 1.6651 11.7588 11.7589 12.1023 12.1024 14.9632 14.9650 15.4479 15.4492 16.4892 16.4922 k = 0.5387 0.2564 0.1310 ( 3498 PWs) bands (ev): -21.4501 -21.4500 -20.6295 -20.6295 -20.6202 -20.6202 -19.1501 -19.1501 -18.2949 -18.2949 -18.2864 -18.2864 -5.6986 -5.6986 -3.7605 -3.7593 -3.7146 -3.7143 -3.3737 -3.3733 -2.3024 -2.2976 -2.0809 -2.0768 -2.0641 -2.0580 -1.2787 -1.2780 -1.2697 -1.2679 -0.7667 -0.7654 -0.6216 -0.6178 -0.5863 -0.5856 -0.3013 -0.3012 0.0805 0.0805 0.0867 0.0891 1.2925 1.2991 1.6345 1.6416 1.6683 1.6691 11.7391 11.7392 12.0832 12.0833 14.9814 14.9829 15.4809 15.4820 16.5241 16.5268 k = 0.5310 0.2612 0.1440 ( 3500 PWs) bands (ev): -21.4528 -21.4527 -20.6259 -20.6259 -20.6198 -20.6198 -19.1533 -19.1533 -18.2920 -18.2920 -18.2865 -18.2865 -5.7053 -5.7053 -3.7484 -3.7475 -3.7164 -3.7163 -3.3862 -3.3859 -2.3012 -2.2973 -2.0764 -2.0730 -2.0657 -2.0607 -1.2745 -1.2741 -1.2669 -1.2652 -0.7695 -0.7684 -0.6112 -0.6073 -0.5824 -0.5822 -0.3139 -0.3137 0.0763 0.0764 0.0814 0.0834 1.3011 1.3065 1.6392 1.6448 1.6722 1.6727 11.7229 11.7229 12.0675 12.0675 14.9960 14.9973 15.5074 15.5083 16.5599 16.5622 k = 0.5232 0.2659 0.1570 ( 3506 PWs) bands (ev): -21.4549 -21.4548 -20.6232 -20.6232 -20.6196 -20.6196 -19.1558 -19.1558 -18.2897 -18.2897 -18.2866 -18.2866 -5.7105 -5.7105 -3.7390 -3.7384 -3.7173 -3.7172 -3.3964 -3.3961 -2.3002 -2.2972 -2.0727 -2.0701 -2.0668 -2.0629 -1.2715 -1.2713 -1.2645 -1.2631 -0.7718 -0.7709 -0.6028 -0.5993 -0.5787 -0.5787 -0.3246 -0.3241 0.0729 0.0730 0.0775 0.0790 1.3080 1.3120 1.6431 1.6472 1.6754 1.6756 11.7103 11.7103 12.0552 12.0552 15.0072 15.0082 15.5276 15.5283 16.5939 16.5957 k = 0.5155 0.2706 0.1700 ( 3504 PWs) bands (ev): -21.4564 -21.4563 -20.6213 -20.6213 -20.6193 -20.6193 -19.1576 -19.1576 -18.2881 -18.2881 -18.2866 -18.2866 -5.7142 -5.7142 -3.7329 -3.7327 -3.7170 -3.7168 -3.4040 -3.4038 -2.2993 -2.2973 -2.0699 -2.0682 -2.0672 -2.0647 -1.2694 -1.2693 -1.2627 -1.2616 -0.7734 -0.7729 -0.5967 -0.5941 -0.5753 -0.5752 -0.3325 -0.3321 0.0704 0.0704 0.0749 0.0758 1.3130 1.3157 1.6460 1.6487 1.6777 1.6778 11.7012 11.7012 12.0464 12.0464 15.0151 15.0158 15.5418 15.5423 16.6227 16.6239 k = 0.5077 0.2754 0.1829 ( 3504 PWs) bands (ev): -21.4573 -21.4572 -20.6203 -20.6203 -20.6189 -20.6189 -19.1587 -19.1587 -18.2872 -18.2872 -18.2866 -18.2866 -5.7164 -5.7164 -3.7301 -3.7300 -3.7158 -3.7156 -3.4087 -3.4086 -2.2986 -2.2976 -2.0681 -2.0676 -2.0668 -2.0659 -1.2682 -1.2682 -1.2614 -1.2608 -0.7744 -0.7741 -0.5930 -0.5916 -0.5726 -0.5725 -0.3375 -0.3372 0.0688 0.0688 0.0735 0.0739 1.3163 1.3177 1.6480 1.6493 1.6792 1.6792 11.6957 11.6958 12.0411 12.0411 15.0199 15.0203 15.5503 15.5505 16.6422 16.6425 k = 0.5000 0.2801 0.1959 ( 3498 PWs) bands (ev): -21.4575 -21.4575 -20.6201 -20.6201 -20.6187 -20.6187 -19.1590 -19.1590 -18.2869 -18.2869 -18.2865 -18.2865 -5.7172 -5.7172 -3.7293 -3.7293 -3.7151 -3.7151 -3.4103 -3.4103 -2.2980 -2.2980 -2.0674 -2.0674 -2.0664 -2.0664 -1.2678 -1.2678 -1.2608 -1.2608 -0.7746 -0.7746 -0.5913 -0.5913 -0.5715 -0.5715 -0.3390 -0.3390 0.0683 0.0683 0.0732 0.0732 1.3178 1.3178 1.6491 1.6491 1.6797 1.6797 11.6939 11.6939 12.0393 12.0393 15.0216 15.0216 15.5532 15.5532 16.6487 16.6487 k = 0.5000 0.2801 0.1959 ( 3498 PWs) bands (ev): -21.4575 -21.4575 -20.6201 -20.6201 -20.6187 -20.6187 -19.1590 -19.1590 -18.2869 -18.2869 -18.2865 -18.2865 -5.7172 -5.7172 -3.7293 -3.7293 -3.7151 -3.7151 -3.4103 -3.4103 -2.2980 -2.2980 -2.0674 -2.0674 -2.0664 -2.0664 -1.2678 -1.2678 -1.2608 -1.2608 -0.7746 -0.7746 -0.5913 -0.5913 -0.5715 -0.5715 -0.3390 -0.3390 0.0683 0.0683 0.0732 0.0732 1.3178 1.3178 1.6491 1.6491 1.6797 1.6797 11.6939 11.6939 12.0393 12.0393 15.0216 15.0216 15.5532 15.5532 16.6487 16.6487 k = 0.4868 0.2728 0.1908 ( 3504 PWs) bands (ev): -21.4578 -21.4578 -20.6202 -20.6200 -20.6188 -20.6187 -19.1587 -19.1587 -18.2871 -18.2867 -18.2866 -18.2863 -5.7183 -5.7183 -3.7340 -3.7262 -3.7197 -3.7120 -3.4107 -3.4106 -2.2973 -2.2971 -2.0751 -2.0731 -2.0609 -2.0609 -1.2792 -1.2743 -1.2569 -1.2476 -0.7741 -0.7741 -0.6092 -0.5888 -0.5719 -0.5527 -0.3383 -0.3379 0.0676 0.0712 0.0730 0.0756 1.3179 1.3179 1.6480 1.6504 1.6786 1.6809 11.6636 11.6637 12.0693 12.0694 15.0193 15.0195 15.5515 15.5515 16.5940 16.5961 k = 0.4737 0.2654 0.1856 ( 3504 PWs) bands (ev): -21.4584 -21.4584 -20.6203 -20.6200 -20.6190 -20.6186 -19.1577 -19.1577 -18.2871 -18.2866 -18.2865 -18.2860 -5.7217 -5.7217 -3.7401 -3.7257 -3.7246 -3.7106 -3.4118 -3.4116 -2.2951 -2.2947 -2.0838 -2.0806 -2.0566 -2.0555 -1.2908 -1.2881 -1.2466 -1.2351 -0.7726 -0.7725 -0.6250 -0.6040 -0.5510 -0.5323 -0.3354 -0.3347 0.0692 0.0752 0.0765 0.0803 1.3180 1.3182 1.6471 1.6519 1.6779 1.6823 11.5921 11.5921 12.1400 12.1401 15.0125 15.0128 15.5464 15.5466 16.5389 16.5405 k = 0.4605 0.2580 0.1805 ( 3507 PWs) bands (ev): -21.4594 -21.4594 -20.6205 -20.6199 -20.6191 -20.6186 -19.1560 -19.1560 -18.2870 -18.2865 -18.2861 -18.2856 -5.7274 -5.7274 -3.7476 -3.7332 -3.7246 -3.7107 -3.4136 -3.4133 -2.2914 -2.2908 -2.0932 -2.0891 -2.0535 -2.0515 -1.3027 -1.3020 -1.2371 -1.2234 -0.7701 -0.7699 -0.6386 -0.6171 -0.5291 -0.5108 -0.3306 -0.3294 0.0731 0.0797 0.0839 0.0873 1.3183 1.3185 1.6465 1.6536 1.6773 1.6840 11.5029 11.5029 12.2278 12.2279 15.0013 15.0018 15.5381 15.5383 16.4837 16.4847 k = 0.4474 0.2506 0.1753 ( 3507 PWs) bands (ev): -21.4608 -21.4608 -20.6206 -20.6200 -20.6193 -20.6186 -19.1536 -19.1536 -18.2868 -18.2863 -18.2856 -18.2852 -5.7353 -5.7352 -3.7565 -3.7421 -3.7262 -3.7125 -3.4161 -3.4156 -2.2862 -2.2854 -2.1034 -2.0982 -2.0519 -2.0490 -1.3158 -1.3147 -1.2285 -1.2128 -0.7669 -0.7665 -0.6496 -0.6276 -0.5062 -0.4883 -0.3235 -0.3220 0.0793 0.0865 0.0935 0.0964 1.3187 1.3190 1.6462 1.6555 1.6770 1.6858 11.4063 11.4064 12.3224 12.3225 14.9860 14.9866 15.5267 15.5270 16.4286 16.4290 k = 0.4342 0.2433 0.1701 ( 3516 PWs) bands (ev): -21.4627 -21.4627 -20.6209 -20.6200 -20.6195 -20.6187 -19.1506 -19.1506 -18.2865 -18.2861 -18.2851 -18.2846 -5.7452 -5.7452 -3.7665 -3.7521 -3.7294 -3.7158 -3.4191 -3.4186 -2.2797 -2.2788 -2.1142 -2.1080 -2.0516 -2.0480 -1.3295 -1.3266 -1.2210 -1.2036 -0.7631 -0.7625 -0.6575 -0.6353 -0.4826 -0.4649 -0.3141 -0.3122 0.0876 0.0954 0.1050 0.1075 1.3192 1.3195 1.6460 1.6576 1.6769 1.6879 11.3064 11.3065 12.4197 12.4197 14.9668 14.9676 15.5123 15.5127 16.3735 16.3737 k = 0.4211 0.2359 0.1650 ( 3522 PWs) bands (ev): -21.4649 -21.4649 -20.6211 -20.6201 -20.6197 -20.6187 -19.1470 -19.1470 -18.2862 -18.2857 -18.2845 -18.2840 -5.7572 -5.7571 -3.7777 -3.7633 -3.7342 -3.7207 -3.4226 -3.4220 -2.2720 -2.2709 -2.1256 -2.1184 -2.0529 -2.0487 -1.3428 -1.3384 -1.2148 -1.1960 -0.7589 -0.7580 -0.6621 -0.6400 -0.4584 -0.4409 -0.3023 -0.3001 0.0979 0.1063 0.1183 0.1204 1.3198 1.3202 1.6461 1.6599 1.6771 1.6901 11.2050 11.2051 12.5178 12.5179 14.9441 14.9449 15.4954 15.4958 16.3182 16.3191 k = 0.4079 0.2285 0.1598 ( 3513 PWs) bands (ev): -21.4674 -21.4674 -20.6213 -20.6202 -20.6200 -20.6188 -19.1427 -19.1427 -18.2857 -18.2853 -18.2837 -18.2833 -5.7711 -5.7710 -3.7899 -3.7755 -3.7404 -3.7271 -3.4266 -3.4259 -2.2631 -2.2619 -2.1373 -2.1292 -2.0556 -2.0510 -1.3558 -1.3500 -1.2100 -1.1902 -0.7545 -0.7534 -0.6632 -0.6413 -0.4336 -0.4163 -0.2879 -0.2854 0.1101 0.1191 0.1333 0.1351 1.3206 1.3210 1.6465 1.6624 1.6776 1.6925 11.1029 11.1030 12.6159 12.6160 14.9181 14.9190 15.4760 15.4766 16.2633 16.2649 k = 0.3947 0.2212 0.1547 ( 3519 PWs) bands (ev): -21.4703 -21.4703 -20.6216 -20.6203 -20.6203 -20.6190 -19.1379 -19.1379 -18.2852 -18.2847 -18.2830 -18.2825 -5.7868 -5.7867 -3.8029 -3.7887 -3.7480 -3.7350 -3.4309 -3.4301 -2.2532 -2.2519 -2.1493 -2.1404 -2.0599 -2.0549 -1.3683 -1.3613 -1.2068 -1.1865 -0.7502 -0.7489 -0.6607 -0.6393 -0.4086 -0.3913 -0.2707 -0.2680 0.1239 0.1335 0.1499 0.1513 1.3214 1.3219 1.6472 1.6650 1.6783 1.6950 11.0009 11.0009 12.7132 12.7133 14.8893 14.8903 15.4547 15.4553 16.2089 16.2111 k = 0.3816 0.2138 0.1495 ( 3513 PWs) bands (ev): -21.4735 -21.4735 -20.6219 -20.6205 -20.6205 -20.6191 -19.1326 -19.1326 -18.2845 -18.2841 -18.2821 -18.2817 -5.8041 -5.8039 -3.8168 -3.8026 -3.7570 -3.7442 -3.4354 -3.4346 -2.2424 -2.2411 -2.1616 -2.1518 -2.0656 -2.0604 -1.3803 -1.3721 -1.2052 -1.1849 -0.7461 -0.7448 -0.6544 -0.6338 -0.3832 -0.3660 -0.2508 -0.2479 0.1394 0.1495 0.1677 0.1688 1.3223 1.3228 1.6481 1.6677 1.6792 1.6977 10.8991 10.8992 12.8093 12.8094 14.8580 14.8591 15.4317 15.4324 16.1550 16.1579 k = 0.3684 0.2064 0.1444 ( 3507 PWs) bands (ev): -21.4770 -21.4770 -20.6222 -20.6208 -20.6206 -20.6193 -19.1268 -19.1268 -18.2838 -18.2834 -18.2812 -18.2808 -5.8228 -5.8227 -3.8313 -3.8172 -3.7673 -3.7546 -3.4402 -3.4393 -2.2310 -2.2297 -2.1742 -2.1634 -2.0728 -2.0676 -1.3915 -1.3824 -1.2051 -1.1853 -0.7424 -0.7411 -0.6445 -0.6249 -0.3576 -0.3405 -0.2279 -0.2249 0.1561 0.1668 0.1867 0.1876 1.3233 1.3239 1.6492 1.6707 1.6805 1.7006 10.7980 10.7981 12.9038 12.9039 14.8247 14.8258 15.4075 15.4082 16.1017 16.1054 k = 0.3553 0.1990 0.1392 ( 3507 PWs) bands (ev): -21.4808 -21.4808 -20.6225 -20.6212 -20.6209 -20.6195 -19.1205 -19.1205 -18.2831 -18.2827 -18.2802 -18.2798 -5.8430 -5.8428 -3.8463 -3.8323 -3.7788 -3.7663 -3.4451 -3.4442 -2.2189 -2.2182 -2.1870 -2.1749 -2.0812 -2.0762 -1.4021 -1.3922 -1.2066 -1.1876 -0.7392 -0.7381 -0.6312 -0.6127 -0.3319 -0.3149 -0.2023 -0.1993 0.1740 0.1851 0.2067 0.2073 1.3244 1.3250 1.6507 1.6737 1.6820 1.7036 10.6978 10.6979 12.9962 12.9963 14.7897 14.7909 15.3825 15.3833 16.0492 16.0536 k = 0.3421 0.1917 0.1340 ( 3513 PWs) bands (ev): -21.4847 -21.4847 -20.6229 -20.6215 -20.6211 -20.6197 -19.1139 -19.1138 -18.2823 -18.2818 -18.2792 -18.2788 -5.8642 -5.8641 -3.8618 -3.8479 -3.7913 -3.7790 -3.4500 -3.4491 -2.2080 -2.2066 -2.1998 -2.1848 -2.0908 -2.0862 -1.4120 -1.4013 -1.2095 -1.1917 -0.7369 -0.7358 -0.6146 -0.5974 -0.3061 -0.2893 -0.1740 -0.1710 0.1929 0.2044 0.2274 0.2277 1.3254 1.3261 1.6524 1.6768 1.6837 1.7067 10.5988 10.5989 13.0862 13.0864 14.7536 14.7548 15.3572 15.3581 15.9974 16.0027 k = 0.3289 0.1843 0.1289 ( 3513 PWs) bands (ev): -21.4889 -21.4889 -20.6232 -20.6218 -20.6213 -20.6200 -19.1068 -19.1068 -18.2814 -18.2810 -18.2782 -18.2778 -5.8865 -5.8863 -3.8775 -3.8638 -3.8047 -3.7926 -3.4549 -3.4540 -2.2128 -2.2073 -2.1940 -2.1849 -2.1012 -2.0975 -1.4210 -1.4097 -1.2136 -1.1973 -0.7353 -0.7344 -0.5951 -0.5793 -0.2805 -0.2638 -0.1431 -0.1401 0.2125 0.2244 0.2487 0.2488 1.3266 1.3273 1.6544 1.6801 1.6857 1.7099 10.5011 10.5011 13.1735 13.1736 14.7166 14.7178 15.3322 15.3331 15.9467 15.9527 k = 0.3158 0.1769 0.1237 ( 3501 PWs) bands (ev): -21.4932 -21.4932 -20.6235 -20.6222 -20.6216 -20.6202 -19.0995 -19.0995 -18.2804 -18.2800 -18.2771 -18.2767 -5.9095 -5.9094 -3.8935 -3.8799 -3.8189 -3.8070 -3.4598 -3.4589 -2.2258 -2.2171 -2.1817 -2.1744 -2.1122 -2.1100 -1.4291 -1.4174 -1.2187 -1.2040 -0.7347 -0.7339 -0.5729 -0.5586 -0.2549 -0.2385 -0.1099 -0.1070 0.2326 0.2449 0.2704 0.2704 1.3278 1.3285 1.6566 1.6835 1.6880 1.7132 10.4049 10.4049 13.2575 13.2577 14.6791 14.6803 15.3078 15.3088 15.8969 15.9037 k = 0.3026 0.1696 0.1186 ( 3498 PWs) bands (ev): -21.4977 -21.4977 -20.6239 -20.6225 -20.6219 -20.6205 -19.0919 -19.0919 -18.2794 -18.2790 -18.2760 -18.2756 -5.9332 -5.9331 -3.9095 -3.8961 -3.8338 -3.8221 -3.4646 -3.4637 -2.2389 -2.2291 -2.1706 -2.1615 -2.1234 -2.1227 -1.4364 -1.4243 -1.2248 -1.2118 -0.7348 -0.7341 -0.5485 -0.5357 -0.2296 -0.2135 -0.0746 -0.0718 0.2532 0.2658 0.2922 0.2923 1.3290 1.3297 1.6591 1.6869 1.6906 1.7165 10.3104 10.3104 13.3378 13.3380 14.6416 14.6428 15.2848 15.2859 15.8484 15.8560 k = 0.2895 0.1622 0.1134 ( 3504 PWs) bands (ev): -21.5023 -21.5023 -20.6242 -20.6229 -20.6222 -20.6208 -19.0842 -19.0842 -18.2784 -18.2780 -18.2749 -18.2745 -5.9573 -5.9572 -3.9255 -3.9123 -3.8493 -3.8377 -3.4692 -3.4683 -2.2519 -2.2416 -2.1640 -2.1482 -2.1376 -2.1295 -1.4428 -1.4303 -1.2316 -1.2203 -0.7358 -0.7351 -0.5223 -0.5110 -0.2047 -0.1889 -0.0375 -0.0349 0.2739 0.2868 0.3140 0.3143 1.3302 1.3309 1.6618 1.6904 1.6933 1.7199 10.2178 10.2179 13.4139 13.4141 14.6044 14.6056 15.2637 15.2648 15.8011 15.8095 k = 0.2763 0.1548 0.1083 ( 3501 PWs) bands (ev): -21.5069 -21.5069 -20.6246 -20.6232 -20.6225 -20.6212 -19.0763 -19.0763 -18.2773 -18.2769 -18.2737 -18.2733 -5.9818 -5.9816 -3.9414 -3.9283 -3.8651 -3.8537 -3.4737 -3.4728 -2.2647 -2.2543 -2.1673 -2.1526 -2.1347 -2.1269 -1.4483 -1.4356 -1.2389 -1.2293 -0.7376 -0.7369 -0.4946 -0.4848 -0.1802 -0.1648 0.0011 0.0036 0.2948 0.3078 0.3359 0.3362 1.3314 1.3322 1.6648 1.6939 1.6963 1.7234 10.1273 10.1274 13.4852 13.4855 14.5679 14.5690 15.2451 15.2462 15.7552 15.7644 k = 0.2632 0.1474 0.1031 ( 3510 PWs) bands (ev): -21.5116 -21.5116 -20.6250 -20.6236 -20.6229 -20.6215 -19.0683 -19.0683 -18.2762 -18.2758 -18.2726 -18.2722 -6.0063 -6.0061 -3.9570 -3.9441 -3.8813 -3.8700 -3.4779 -3.4771 -2.2775 -2.2669 -2.1782 -2.1680 -2.1213 -2.1173 -1.4529 -1.4400 -1.2467 -1.2388 -0.7400 -0.7393 -0.4658 -0.4573 -0.1564 -0.1414 0.0409 0.0432 0.3156 0.3287 0.3574 0.3578 1.3326 1.3334 1.6680 1.6974 1.6995 1.7269 10.0392 10.0392 13.5513 13.5516 14.5323 14.5335 15.2295 15.2306 15.7109 15.7208 k = 0.2500 0.1401 0.0980 ( 3519 PWs) bands (ev): -21.5163 -21.5163 -20.6253 -20.6239 -20.6232 -20.6218 -19.0603 -19.0603 -18.2751 -18.2747 -18.2715 -18.2711 -6.0307 -6.0306 -3.9723 -3.9596 -3.8976 -3.8865 -3.4820 -3.4812 -2.2900 -2.2794 -2.1918 -2.1838 -2.1079 -2.1055 -1.4567 -1.4437 -1.2548 -1.2485 -0.7429 -0.7422 -0.4361 -0.4289 -0.1333 -0.1188 0.0815 0.0836 0.3361 0.3493 0.3787 0.3790 1.3338 1.3346 1.6713 1.7009 1.7029 1.7303 9.9535 9.9536 13.6115 13.6118 14.4981 14.4992 15.2176 15.2187 15.6682 15.6789 k = 0.2368 0.1327 0.0928 ( 3525 PWs) bands (ev): -21.5210 -21.5210 -20.6257 -20.6243 -20.6236 -20.6222 -19.0523 -19.0523 -18.2739 -18.2736 -18.2704 -18.2700 -6.0549 -6.0548 -3.9872 -3.9746 -3.9140 -3.9030 -3.4858 -3.4850 -2.3022 -2.2918 -2.2065 -2.1999 -2.0947 -2.0931 -1.4596 -1.4466 -1.2631 -1.2583 -0.7463 -0.7456 -0.4058 -0.3998 -0.1111 -0.0971 0.1226 0.1246 0.3564 0.3695 0.3994 0.3997 1.3350 1.3357 1.6749 1.7044 1.7064 1.7338 9.8705 9.8706 13.6653 13.6656 14.4655 14.4666 15.2098 15.2110 15.6273 15.6388 k = 0.2237 0.1253 0.0876 ( 3525 PWs) bands (ev): -21.5256 -21.5256 -20.6260 -20.6246 -20.6239 -20.6225 -19.0444 -19.0444 -18.2728 -18.2724 -18.2692 -18.2689 -6.0788 -6.0786 -4.0016 -3.9892 -3.9303 -3.9195 -3.4894 -3.4887 -2.3141 -2.3038 -2.2215 -2.2160 -2.0819 -2.0806 -1.4618 -1.4487 -1.2716 -1.2681 -0.7502 -0.7494 -0.3753 -0.3703 -0.0898 -0.0765 0.1639 0.1657 0.3762 0.3893 0.4196 0.4198 1.3361 1.3369 1.6786 1.7078 1.7101 1.7372 9.7904 9.7905 13.7122 13.7126 14.4348 14.4358 15.2067 15.2079 15.5884 15.6006 k = 0.2105 0.1179 0.0825 ( 3519 PWs) bands (ev): -21.5301 -21.5301 -20.6263 -20.6249 -20.6243 -20.6229 -19.0366 -19.0366 -18.2717 -18.2713 -18.2682 -18.2678 -6.1020 -6.1019 -4.0154 -4.0031 -3.9464 -3.9357 -3.4927 -3.4920 -2.3256 -2.3154 -2.2367 -2.2321 -2.0693 -2.0683 -1.4631 -1.4501 -1.2801 -1.2779 -0.7543 -0.7534 -0.3446 -0.3406 -0.0697 -0.0569 0.2050 0.2067 0.3955 0.4086 0.4390 0.4391 1.3372 1.3379 1.6825 1.7112 1.7139 1.7405 9.7135 9.7135 13.7520 13.7524 14.4062 14.4072 15.2085 15.2097 15.5515 15.5644 k = 0.1974 0.1106 0.0773 ( 3516 PWs) bands (ev): -21.5345 -21.5345 -20.6266 -20.6252 -20.6246 -20.6232 -19.0289 -19.0289 -18.2705 -18.2702 -18.2671 -18.2668 -6.1246 -6.1245 -4.0286 -4.0165 -3.9622 -3.9516 -3.4958 -3.4952 -2.3366 -2.3267 -2.2517 -2.2479 -2.0572 -2.0564 -1.4637 -1.4508 -1.2886 -1.2877 -0.7586 -0.7577 -0.3141 -0.3110 -0.0508 -0.0387 0.2455 0.2472 0.4143 0.4271 0.4575 0.4576 1.3383 1.3390 1.6864 1.7144 1.7178 1.7437 9.6398 9.6398 13.7845 13.7849 14.3799 14.3808 15.2153 15.2166 15.5168 15.5304 k = 0.1842 0.1032 0.0722 ( 3516 PWs) bands (ev): -21.5388 -21.5388 -20.6269 -20.6255 -20.6250 -20.6236 -19.0216 -19.0216 -18.2694 -18.2691 -18.2661 -18.2658 -6.1464 -6.1463 -4.0410 -4.0291 -3.9777 -3.9671 -3.4987 -3.4981 -2.3471 -2.3374 -2.2666 -2.2635 -2.0455 -2.0448 -1.4637 -1.4508 -1.2973 -1.2970 -0.7630 -0.7621 -0.2840 -0.2816 -0.0332 -0.0218 0.2852 0.2868 0.4323 0.4450 0.4749 0.4753 1.3393 1.3399 1.6904 1.7175 1.7218 1.7468 9.5696 9.5696 13.8099 13.8103 14.3559 14.3568 15.2270 15.2283 15.4845 15.4988 k = 0.1711 0.0958 0.0670 ( 3515 PWs) bands (ev): -21.5429 -21.5429 -20.6271 -20.6257 -20.6253 -20.6239 -19.0145 -19.0145 -18.2683 -18.2680 -18.2652 -18.2648 -6.1673 -6.1672 -4.0527 -4.0409 -3.9927 -3.9822 -3.5013 -3.5008 -2.3569 -2.3475 -2.2811 -2.2787 -2.0344 -2.0338 -1.4630 -1.4502 -1.3068 -1.3054 -0.7675 -0.7666 -0.2544 -0.2526 -0.0172 -0.0065 0.3237 0.3252 0.4496 0.4622 0.4913 0.4920 1.3402 1.3408 1.6945 1.7205 1.7258 1.7498 9.5031 9.5032 13.8286 13.8290 14.3342 14.3350 15.2433 15.2447 15.4546 15.4695 k = 0.1579 0.0885 0.0619 ( 3509 PWs) bands (ev): -21.5467 -21.5467 -20.6274 -20.6260 -20.6256 -20.6243 -19.0077 -19.0077 -18.2673 -18.2669 -18.2643 -18.2640 -6.1871 -6.1870 -4.0635 -4.0518 -4.0071 -3.9967 -3.5037 -3.5032 -2.3660 -2.3569 -2.2951 -2.2934 -2.0239 -2.0233 -1.4616 -1.4490 -1.3161 -1.3138 -0.7720 -0.7711 -0.2254 -0.2242 -0.0027 0.0072 0.3607 0.3620 0.4662 0.4785 0.5066 0.5077 1.3411 1.3417 1.6986 1.7233 1.7298 1.7526 9.4406 9.4406 13.8413 13.8416 14.3147 14.3155 15.2637 15.2650 15.4274 15.4428 k = 0.1447 0.0811 0.0567 ( 3515 PWs) bands (ev): -21.5504 -21.5504 -20.6276 -20.6262 -20.6260 -20.6246 -19.0013 -19.0013 -18.2663 -18.2659 -18.2635 -18.2631 -6.2057 -6.2056 -4.0734 -4.0619 -4.0208 -4.0105 -3.5059 -3.5054 -2.3745 -2.3657 -2.3086 -2.3075 -2.0139 -2.0134 -1.4598 -1.4473 -1.3252 -1.3220 -0.7763 -0.7755 -0.1974 -0.1966 0.0100 0.0192 0.3958 0.3971 0.4819 0.4941 0.5206 0.5223 1.3419 1.3425 1.7026 1.7259 1.7337 1.7552 9.3821 9.3822 13.8487 13.8491 14.2973 14.2979 15.2871 15.2887 15.4031 15.4188 k = 0.1316 0.0737 0.0516 ( 3521 PWs) bands (ev): -21.5538 -21.5538 -20.6278 -20.6264 -20.6263 -20.6249 -18.9953 -18.9953 -18.2653 -18.2650 -18.2627 -18.2624 -6.2230 -6.2229 -4.0823 -4.0710 -4.0339 -4.0236 -3.5079 -3.5075 -2.3821 -2.3736 -2.3214 -2.3209 -2.0047 -2.0042 -1.4573 -1.4450 -1.3341 -1.3300 -0.7806 -0.7797 -0.1703 -0.1699 0.0210 0.0293 0.4288 0.4299 0.4966 0.5089 0.5334 0.5358 1.3426 1.3432 1.7065 1.7282 1.7376 1.7575 9.3280 9.3280 13.8520 13.8523 14.2817 14.2823 15.3126 15.3147 15.3819 15.3975 k = 0.1184 0.0663 0.0464 ( 3503 PWs) bands (ev): -21.5570 -21.5570 -20.6280 -20.6266 -20.6266 -20.6252 -18.9897 -18.9897 -18.2644 -18.2641 -18.2620 -18.2617 -6.2389 -6.2389 -4.0903 -4.0791 -4.0461 -4.0359 -3.5096 -3.5092 -2.3888 -2.3807 -2.3335 -2.3334 -1.9961 -1.9956 -1.4544 -1.4423 -1.3428 -1.3379 -0.7846 -0.7838 -0.1443 -0.1442 0.0301 0.0377 0.4593 0.4601 0.5105 0.5230 0.5448 0.5481 1.3433 1.3438 1.7103 1.7303 1.7413 1.7596 9.2784 9.2784 13.8520 13.8523 14.2677 14.2683 15.3373 15.3421 15.3659 15.3792 k = 0.1053 0.0590 0.0412 ( 3518 PWs) bands (ev): -21.5599 -21.5599 -20.6282 -20.6269 -20.6267 -20.6255 -18.9847 -18.9847 -18.2636 -18.2633 -18.2614 -18.2611 -6.2535 -6.2534 -4.0973 -4.0862 -4.0576 -4.0473 -3.5112 -3.5108 -2.3947 -2.3869 -2.3453 -2.3447 -1.9884 -1.9879 -1.4511 -1.4391 -1.3513 -1.3457 -0.7883 -0.7876 -0.1197 -0.1197 0.0372 0.0440 0.4870 0.4873 0.5232 0.5365 0.5549 0.5594 1.3439 1.3444 1.7140 1.7321 1.7448 1.7615 9.2334 9.2335 13.8498 13.8500 14.2554 14.2558 15.3416 15.3638 15.3699 15.3738 k = 0.0921 0.0516 0.0361 ( 3518 PWs) bands (ev): -21.5625 -21.5625 -20.6283 -20.6271 -20.6269 -20.6257 -18.9802 -18.9802 -18.2628 -18.2625 -18.2608 -18.2605 -6.2665 -6.2664 -4.1032 -4.0922 -4.0681 -4.0579 -3.5125 -3.5122 -2.3996 -2.3922 -2.3563 -2.3551 -1.9814 -1.9810 -1.4472 -1.4355 -1.3595 -1.3533 -0.7917 -0.7911 -0.0964 -0.0963 0.0424 0.0484 0.5110 0.5115 0.5350 0.5498 0.5635 0.5698 1.3445 1.3449 1.7175 1.7335 1.7482 1.7630 9.1934 9.1934 13.8460 13.8463 14.2444 14.2448 15.3310 15.3515 15.3968 15.3992 k = 0.0789 0.0442 0.0309 ( 3518 PWs) bands (ev): -21.5647 -21.5647 -20.6284 -20.6274 -20.6270 -20.6260 -18.9762 -18.9762 -18.2621 -18.2618 -18.2604 -18.2601 -6.2778 -6.2778 -4.1080 -4.0971 -4.0777 -4.0674 -3.5136 -3.5134 -2.4035 -2.3965 -2.3663 -2.3646 -1.9753 -1.9749 -1.4430 -1.4316 -1.3675 -1.3607 -0.7948 -0.7942 -0.0746 -0.0745 0.0455 0.0508 0.5304 0.5323 0.5456 0.5632 0.5707 0.5794 1.3449 1.3453 1.7207 1.7347 1.7514 1.7642 9.1583 9.1583 13.8415 13.8418 14.2349 14.2352 15.3219 15.3424 15.4212 15.4247 k = 0.0658 0.0369 0.0258 ( 3515 PWs) bands (ev): -21.5667 -21.5667 -20.6285 -20.6276 -20.6270 -20.6262 -18.9727 -18.9727 -18.2615 -18.2612 -18.2600 -18.2597 -6.2876 -6.2875 -4.1117 -4.1009 -4.0862 -4.0760 -3.5146 -3.5144 -2.4063 -2.3998 -2.3753 -2.3731 -1.9700 -1.9697 -1.4384 -1.4272 -1.3753 -1.3679 -0.7974 -0.7969 -0.0542 -0.0542 0.0466 0.0511 0.5454 0.5491 0.5551 0.5765 0.5766 0.5885 1.3453 1.3456 1.7237 1.7355 1.7543 1.7651 9.1283 9.1283 13.8369 13.8371 14.2267 14.2270 15.3158 15.3366 15.4318 15.4482 k = 0.0526 0.0295 0.0206 ( 3512 PWs) bands (ev): -21.5682 -21.5682 -20.6285 -20.6278 -20.6271 -20.6264 -18.9699 -18.9699 -18.2609 -18.2606 -18.2597 -18.2594 -6.2956 -6.2956 -4.1142 -4.1036 -4.0938 -4.0836 -3.5154 -3.5152 -2.4082 -2.4020 -2.3833 -2.3806 -1.9656 -1.9654 -1.4335 -1.4225 -1.3828 -1.3749 -0.7996 -0.7992 -0.0356 -0.0354 0.0456 0.0494 0.5566 0.5615 0.5633 0.5808 0.5893 0.5972 1.3457 1.3459 1.7265 1.7360 1.7569 1.7656 9.1037 9.1037 13.8325 13.8326 14.2200 14.2202 15.3129 15.3340 15.4107 15.4358 k = 0.0395 0.0221 0.0155 ( 3518 PWs) bands (ev): -21.5695 -21.5695 -20.6285 -20.6280 -20.6271 -20.6266 -18.9677 -18.9677 -18.2605 -18.2602 -18.2596 -18.2593 -6.3019 -6.3019 -4.1157 -4.1051 -4.1003 -4.0900 -3.5159 -3.5158 -2.4089 -2.4032 -2.3902 -2.3871 -1.9622 -1.9621 -1.4282 -1.4175 -1.3901 -1.3817 -0.8013 -0.8010 -0.0187 -0.0183 0.0425 0.0456 0.5649 0.5698 0.5703 0.5836 0.6001 0.6050 1.3459 1.3461 1.7289 1.7361 1.7592 1.7658 9.0844 9.0844 13.8288 13.8289 14.2147 14.2149 15.3133 15.3347 15.3873 15.4111 k = 0.0263 0.0147 0.0103 ( 3515 PWs) bands (ev): -21.5704 -21.5704 -20.6285 -20.6281 -20.6271 -20.6267 -18.9661 -18.9661 -18.2601 -18.2598 -18.2595 -18.2592 -6.3064 -6.3064 -4.1160 -4.1057 -4.1054 -4.0954 -3.5164 -3.5163 -2.4086 -2.4032 -2.3961 -2.3925 -1.9598 -1.9596 -1.4225 -1.4122 -1.3972 -1.3883 -0.8026 -0.8024 -0.0037 -0.0030 0.0373 0.0398 0.5709 0.5747 0.5760 0.5849 0.6084 0.6112 1.3461 1.3462 1.7310 1.7358 1.7612 1.7656 9.0705 9.0705 13.8259 13.8260 14.2109 14.2110 15.3171 15.3389 15.3666 15.3898 k = 0.0132 0.0074 0.0052 ( 3521 PWs) bands (ev): -21.5710 -21.5710 -20.6285 -20.6283 -20.6270 -20.6269 -18.9651 -18.9651 -18.2598 -18.2595 -18.2595 -18.2592 -6.3091 -6.3091 -4.1151 -4.1100 -4.1047 -4.0996 -3.5166 -3.5166 -2.4071 -2.4022 -2.4009 -2.3969 -1.9583 -1.9582 -1.4166 -1.4066 -1.4039 -1.3947 -0.8033 -0.8032 0.0095 0.0106 0.0300 0.0320 0.5748 0.5769 0.5803 0.5848 0.6138 0.6150 1.3462 1.3463 1.7328 1.7352 1.7628 1.7651 9.0622 9.0622 13.8241 13.8242 14.2087 14.2087 15.3244 15.3465 15.3491 15.3719 k = 0.0000 0.0000 0.0000 ( 3527 PWs) bands (ev): -21.5711 -21.5711 -20.6284 -20.6284 -20.6270 -20.6270 -18.9648 -18.9648 -18.2596 -18.2596 -18.2593 -18.2593 -6.3100 -6.3100 -4.1131 -4.1131 -4.1027 -4.1027 -3.5167 -3.5167 -2.4046 -2.4046 -2.4001 -2.4001 -1.9578 -1.9578 -1.4104 -1.4104 -1.4008 -1.4008 -0.8035 -0.8035 0.0208 0.0208 0.0223 0.0223 0.5768 0.5768 0.5833 0.5833 0.6159 0.6159 1.3463 1.3463 1.7341 1.7341 1.7641 1.7641 9.0594 9.0594 13.8235 13.8235 14.2079 14.2079 15.3350 15.3350 15.3575 15.3575 k = 0.0000 0.0000 0.0000 ( 3527 PWs) bands (ev): -21.5711 -21.5711 -20.6284 -20.6284 -20.6270 -20.6270 -18.9648 -18.9648 -18.2596 -18.2596 -18.2593 -18.2593 -6.3100 -6.3100 -4.1131 -4.1131 -4.1027 -4.1027 -3.5167 -3.5167 -2.4046 -2.4046 -2.4001 -2.4001 -1.9578 -1.9578 -1.4104 -1.4104 -1.4008 -1.4008 -0.8035 -0.8035 0.0208 0.0208 0.0223 0.0223 0.5768 0.5768 0.5833 0.5833 0.6159 0.6159 1.3463 1.3463 1.7341 1.7341 1.7641 1.7641 9.0594 9.0594 13.8235 13.8235 14.2079 14.2079 15.3350 15.3350 15.3575 15.3575 k = 0.0078-0.0047-0.0130 ( 3521 PWs) bands (ev): -21.5708 -21.5708 -20.6286 -20.6286 -20.6271 -20.6271 -18.9646 -18.9646 -18.2599 -18.2599 -18.2594 -18.2594 -6.3090 -6.3090 -4.1131 -4.1131 -4.1027 -4.1026 -3.5162 -3.5158 -2.4043 -2.4043 -2.4001 -2.3994 -1.9576 -1.9565 -1.4113 -1.4110 -1.4014 -1.4013 -0.8037 -0.8036 0.0200 0.0201 0.0217 0.0218 0.5746 0.5783 0.5830 0.5833 0.6140 0.6179 1.3450 1.3463 1.7330 1.7343 1.7636 1.7636 9.0621 9.0621 13.8239 13.8246 14.2084 14.2084 15.3305 15.3351 15.3551 15.3552 k = 0.0155-0.0095-0.0260 ( 3515 PWs) bands (ev): -21.5697 -21.5697 -20.6295 -20.6294 -20.6274 -20.6274 -18.9639 -18.9639 -18.2609 -18.2609 -18.2596 -18.2596 -6.3061 -6.3061 -4.1134 -4.1134 -4.1023 -4.1020 -3.5144 -3.5136 -2.4039 -2.4036 -2.3993 -2.3976 -1.9559 -1.9536 -1.4139 -1.4136 -1.4029 -1.4023 -0.8043 -0.8040 0.0173 0.0175 0.0206 0.0209 0.5721 0.5778 0.5821 0.5844 0.6121 0.6200 1.3424 1.3451 1.7309 1.7334 1.7620 1.7621 9.0702 9.0702 13.8257 13.8269 14.2098 14.2099 15.3224 15.3299 15.3483 15.3494 k = 0.0233-0.0142-0.0390 ( 3513 PWs) bands (ev): -21.5679 -21.5679 -20.6312 -20.6312 -20.6276 -20.6276 -18.9627 -18.9627 -18.2627 -18.2627 -18.2597 -18.2597 -6.3013 -6.3012 -4.1148 -4.1148 -4.1007 -4.1003 -3.5113 -3.5101 -2.4036 -2.4031 -2.3971 -2.3945 -1.9527 -1.9494 -1.4193 -1.4191 -1.4041 -1.4028 -0.8051 -0.8047 0.0126 0.0126 0.0191 0.0196 0.5693 0.5755 0.5802 0.5862 0.6103 0.6222 1.3384 1.3425 1.7277 1.7315 1.7595 1.7597 9.0836 9.0836 13.8288 13.8307 14.2122 14.2124 15.3109 15.3186 15.3381 15.3419 k = 0.0310-0.0190-0.0520 ( 3509 PWs) bands (ev): -21.5654 -21.5654 -20.6338 -20.6337 -20.6278 -20.6278 -18.9610 -18.9610 -18.2653 -18.2652 -18.2599 -18.2599 -6.2945 -6.2944 -4.1177 -4.1176 -4.0975 -4.0970 -3.5068 -3.5052 -2.4035 -2.4030 -2.3933 -2.3899 -1.9481 -1.9436 -1.4281 -1.4275 -1.4048 -1.4026 -0.8063 -0.8057 0.0058 0.0058 0.0172 0.0179 0.5662 0.5719 0.5776 0.5878 0.6090 0.6247 1.3332 1.3386 1.7232 1.7285 1.7561 1.7566 9.1024 9.1024 13.8332 13.8357 14.2156 14.2157 15.2953 15.3009 15.3264 15.3342 k = 0.0388-0.0237-0.0650 ( 3509 PWs) bands (ev): -21.5622 -21.5622 -20.6371 -20.6370 -20.6279 -20.6279 -18.9590 -18.9589 -18.2685 -18.2685 -18.2602 -18.2602 -6.2857 -6.2857 -4.1220 -4.1218 -4.0929 -4.0923 -3.5011 -3.4990 -2.4036 -2.4031 -2.3880 -2.3839 -1.9422 -1.9366 -1.4398 -1.4388 -1.4050 -1.4020 -0.8078 -0.8071 -0.0031 -0.0030 0.0147 0.0157 0.5625 0.5674 0.5743 0.5885 0.6087 0.6276 1.3266 1.3333 1.7176 1.7244 1.7520 1.7528 9.1264 9.1264 13.8388 13.8419 14.2198 14.2199 15.2742 15.2776 15.3156 15.3270 k = 0.0465-0.0285-0.0780 ( 3505 PWs) bands (ev): -21.5583 -21.5583 -20.6411 -20.6411 -20.6281 -20.6281 -18.9564 -18.9564 -18.2724 -18.2724 -18.2606 -18.2606 -6.2751 -6.2750 -4.1275 -4.1273 -4.0869 -4.0863 -3.4939 -3.4915 -2.4038 -2.4033 -2.3814 -2.3767 -1.9349 -1.9281 -1.4541 -1.4528 -1.4048 -1.4010 -0.8097 -0.8088 -0.0139 -0.0138 0.0118 0.0129 0.5581 0.5620 0.5707 0.5876 0.6102 0.6309 1.3186 1.3266 1.7108 1.7191 1.7474 1.7486 9.1555 9.1555 13.8455 13.8492 14.2247 14.2249 15.2474 15.2491 15.3069 15.3206 k = 0.0543-0.0332-0.0910 ( 3507 PWs) bands (ev): -21.5537 -21.5537 -20.6459 -20.6459 -20.6283 -20.6282 -18.9534 -18.9534 -18.2771 -18.2770 -18.2610 -18.2610 -6.2626 -6.2625 -4.1341 -4.1338 -4.0798 -4.0791 -3.4855 -3.4827 -2.4041 -2.4036 -2.3734 -2.3681 -1.9264 -1.9185 -1.4708 -1.4692 -1.4043 -1.3996 -0.8120 -0.8110 -0.0266 -0.0266 0.0083 0.0097 0.5526 0.5557 0.5668 0.5852 0.6134 0.6346 1.3092 1.3184 1.7028 1.7126 1.7425 1.7441 9.1896 9.1897 13.8533 13.8575 14.2303 14.2305 15.2154 15.2161 15.3005 15.3156 k = 0.0620-0.0380-0.1040 ( 3509 PWs) bands (ev): -21.5484 -21.5484 -20.6514 -20.6513 -20.6284 -20.6284 -18.9499 -18.9499 -18.2824 -18.2823 -18.2614 -18.2614 -6.2482 -6.2481 -4.1418 -4.1414 -4.0716 -4.0709 -3.4757 -3.4726 -2.4044 -2.4040 -2.3642 -2.3583 -1.9168 -1.9078 -1.4900 -1.4881 -1.4033 -1.3979 -0.8147 -0.8135 -0.0414 -0.0414 0.0043 0.0059 0.5459 0.5485 0.5628 0.5817 0.6178 0.6390 1.2983 1.3088 1.6938 1.7049 1.7373 1.7391 9.2287 9.2287 13.8619 13.8667 14.2365 14.2366 15.1788 15.1789 15.2964 15.3123 k = 0.0698-0.0427-0.1170 ( 3513 PWs) bands (ev): -21.5425 -21.5424 -20.6576 -20.6575 -20.6287 -20.6287 -18.9460 -18.9460 -18.2883 -18.2883 -18.2619 -18.2619 -6.2321 -6.2320 -4.1505 -4.1501 -4.0624 -4.0616 -3.4646 -3.4611 -2.4048 -2.4043 -2.3537 -2.3472 -1.9062 -1.8960 -1.5114 -1.5093 -1.4019 -1.3957 -0.8178 -0.8166 -0.0582 -0.0582 -0.0002 0.0015 0.5382 0.5404 0.5588 0.5775 0.6233 0.6439 1.2860 1.2977 1.6839 1.6963 1.7318 1.7338 9.2725 9.2726 13.8714 13.8766 14.2430 14.2431 15.1378 15.1382 15.2947 15.3110 k = 0.0776-0.0475-0.1300 ( 3515 PWs) bands (ev): -21.5358 -21.5358 -20.6644 -20.6643 -20.6289 -20.6289 -18.9417 -18.9417 -18.2949 -18.2949 -18.2625 -18.2625 -6.2141 -6.2140 -4.1602 -4.1598 -4.0521 -4.0513 -3.4522 -3.4483 -2.4051 -2.4046 -2.3419 -2.3349 -1.8948 -1.8834 -1.5350 -1.5327 -1.4000 -1.3929 -0.8215 -0.8201 -0.0770 -0.0770 -0.0053 -0.0034 0.5296 0.5316 0.5546 0.5727 0.6297 0.6496 1.2723 1.2850 1.6733 1.6867 1.7260 1.7281 9.3210 9.3210 13.8816 13.8872 14.2497 14.2498 15.0931 15.0939 15.2957 15.3121 k = 0.0853-0.0522-0.1430 ( 3515 PWs) bands (ev): -21.5286 -21.5285 -20.6719 -20.6718 -20.6292 -20.6292 -18.9370 -18.9369 -18.3022 -18.3021 -18.2631 -18.2631 -6.1944 -6.1942 -4.1710 -4.1705 -4.0410 -4.0401 -3.4384 -3.4342 -2.4055 -2.4050 -2.3289 -2.3214 -1.8826 -1.8701 -1.5606 -1.5582 -1.3974 -1.3895 -0.8256 -0.8241 -0.0979 -0.0978 -0.0109 -0.0088 0.5200 0.5221 0.5502 0.5674 0.6369 0.6559 1.2572 1.2709 1.6622 1.6765 1.7199 1.7221 9.3739 9.3739 13.8922 13.8983 14.2563 14.2563 15.0454 15.0463 15.2996 15.3159 k = 0.0931-0.0570-0.1560 ( 3517 PWs) bands (ev): -21.5207 -21.5206 -20.6800 -20.6799 -20.6295 -20.6294 -18.9318 -18.9318 -18.3100 -18.3099 -18.2638 -18.2638 -6.1729 -6.1728 -4.1827 -4.1822 -4.0290 -4.0280 -3.4234 -3.4188 -2.4058 -2.4053 -2.3147 -2.3067 -1.8700 -1.8563 -1.5881 -1.5855 -1.3941 -1.3852 -0.8304 -0.8287 -0.1207 -0.1205 -0.0171 -0.0148 0.5097 0.5118 0.5455 0.5618 0.6448 0.6630 1.2407 1.2553 1.6507 1.6657 1.7135 1.7156 9.4311 9.4311 13.9032 13.9096 14.2627 14.2627 14.9947 14.9958 15.3067 15.3228 k = 0.1008-0.0617-0.1690 ( 3513 PWs) bands (ev): -21.5121 -21.5121 -20.6888 -20.6886 -20.6298 -20.6297 -18.9263 -18.9262 -18.3184 -18.3183 -18.2645 -18.2645 -6.1498 -6.1496 -4.1954 -4.1949 -4.0161 -4.0151 -3.4070 -3.4021 -2.4061 -2.4056 -2.2993 -2.2908 -1.8570 -1.8422 -1.6174 -1.6147 -1.3897 -1.3801 -0.8357 -0.8339 -0.1454 -0.1453 -0.0238 -0.0214 0.4988 0.5010 0.5406 0.5559 0.6535 0.6709 1.2229 1.2383 1.6388 1.6545 1.7066 1.7086 9.4924 9.4925 13.9144 13.9210 14.2686 14.2687 14.9414 14.9426 15.3172 15.3331 k = 0.1086-0.0665-0.1820 ( 3517 PWs) bands (ev): -21.5030 -21.5029 -20.6981 -20.6979 -20.6301 -20.6301 -18.9204 -18.9203 -18.3273 -18.3273 -18.2653 -18.2653 -6.1251 -6.1249 -4.2091 -4.2085 -4.0025 -4.0015 -3.3893 -3.3841 -2.4064 -2.4059 -2.2827 -2.2738 -1.8440 -1.8280 -1.6483 -1.6456 -1.3844 -1.3739 -0.8416 -0.8397 -0.1722 -0.1719 -0.0311 -0.0284 0.4873 0.4896 0.5353 0.5497 0.6630 0.6796 1.2040 1.2201 1.6267 1.6429 1.6992 1.7012 9.5577 9.5578 13.9255 13.9324 14.2741 14.2742 14.8859 14.8872 15.3314 15.3469 k = 0.1163-0.0712-0.1951 ( 3519 PWs) bands (ev): -21.4933 -21.4932 -20.7079 -20.7078 -20.6305 -20.6304 -18.9141 -18.9140 -18.3368 -18.3368 -18.2661 -18.2661 -6.0988 -6.0986 -4.2237 -4.2231 -3.9883 -3.9871 -3.3703 -3.3649 -2.4066 -2.4061 -2.2649 -2.2557 -1.8311 -1.8140 -1.6807 -1.6779 -1.3777 -1.3664 -0.8483 -0.8462 -0.2008 -0.2005 -0.0389 -0.0361 0.4754 0.4778 0.5297 0.5431 0.6734 0.6892 1.1840 1.2006 1.6145 1.6311 1.6914 1.6934 9.6268 9.6268 13.9363 13.9433 14.2790 14.2791 14.8283 14.8296 15.3495 15.3646 k = 0.1241-0.0760-0.2081 ( 3511 PWs) bands (ev): -21.4830 -21.4829 -20.7183 -20.7181 -20.6308 -20.6308 -18.9074 -18.9073 -18.3468 -18.3467 -18.2669 -18.2669 -6.0709 -6.0707 -4.2393 -4.2386 -3.9733 -3.9722 -3.3501 -3.3444 -2.4068 -2.4062 -2.2460 -2.2364 -1.8188 -1.8005 -1.7141 -1.7116 -1.3696 -1.3576 -0.8556 -0.8534 -0.2313 -0.2309 -0.0472 -0.0442 0.4632 0.4656 0.5237 0.5364 0.6845 0.6996 1.1630 1.1802 1.6021 1.6190 1.6832 1.6850 9.6994 9.6995 13.9465 13.9535 14.2834 14.2836 14.7689 14.7703 15.3716 15.3862 k = 0.1319-0.0807-0.2211 ( 3511 PWs) bands (ev): -21.4721 -21.4720 -20.7291 -20.7290 -20.6312 -20.6312 -18.9004 -18.9003 -18.3572 -18.3572 -18.2678 -18.2678 -6.0416 -6.0413 -4.2557 -4.2550 -3.9578 -3.9567 -3.3285 -3.3226 -2.4069 -2.4064 -2.2260 -2.2162 -1.8078 -1.7880 -1.7478 -1.7460 -1.3599 -1.3473 -0.8637 -0.8614 -0.2636 -0.2631 -0.0561 -0.0529 0.4506 0.4531 0.5175 0.5293 0.6966 0.7110 1.1413 1.1588 1.5895 1.6066 1.6745 1.6762 9.7755 9.7755 13.9556 13.9626 14.2877 14.2878 14.7079 14.7093 15.3977 15.4118 k = 0.1396-0.0855-0.2341 ( 3507 PWs) bands (ev): -21.4607 -21.4606 -20.7405 -20.7403 -20.6317 -20.6316 -18.8931 -18.8930 -18.3681 -18.3680 -18.2687 -18.2687 -6.0108 -6.0106 -4.2730 -4.2723 -3.9418 -3.9407 -3.3058 -3.2996 -2.4070 -2.4064 -2.2051 -2.1950 -1.8039 -1.7872 -1.7760 -1.7705 -1.3485 -1.3354 -0.8727 -0.8702 -0.2976 -0.2969 -0.0654 -0.0622 0.4378 0.4403 0.5110 0.5220 0.7095 0.7233 1.1188 1.1366 1.5767 1.5940 1.6652 1.6669 9.8548 9.8549 13.9632 13.9701 14.2920 14.2921 14.6456 14.6470 15.4277 15.4413 k = 0.1474-0.0902-0.2471 ( 3507 PWs) bands (ev): -21.4488 -21.4487 -20.7522 -20.7521 -20.6321 -20.6321 -18.8855 -18.8854 -18.3794 -18.3793 -18.2696 -18.2696 -5.9787 -5.9784 -4.2913 -4.2905 -3.9254 -3.9242 -3.2818 -3.2754 -2.4070 -2.4065 -2.1831 -2.1729 -1.8284 -1.8211 -1.7776 -1.7621 -1.3353 -1.3218 -0.8825 -0.8798 -0.3331 -0.3323 -0.0752 -0.0719 0.4249 0.4274 0.5042 0.5146 0.7232 0.7365 1.0959 1.1139 1.5638 1.5811 1.6555 1.6571 9.9372 9.9373 13.9688 13.9754 14.2970 14.2970 14.5820 14.5835 15.4616 15.4747 k = 0.1551-0.0950-0.2601 ( 3509 PWs) bands (ev): -21.4365 -21.4364 -20.7644 -20.7643 -20.6326 -20.6325 -18.8775 -18.8775 -18.3911 -18.3910 -18.2706 -18.2706 -5.9453 -5.9450 -4.3103 -4.3095 -3.9087 -3.9075 -3.2566 -3.2500 -2.4071 -2.4065 -2.1603 -2.1500 -1.8642 -1.8583 -1.7693 -1.7521 -1.3201 -1.3065 -0.8932 -0.8905 -0.3701 -0.3692 -0.0856 -0.0821 0.4119 0.4144 0.4971 0.5069 0.7379 0.7506 1.0726 1.0908 1.5505 1.5678 1.6453 1.6468 10.0225 10.0225 13.9719 13.9782 14.3028 14.3031 14.5175 14.5189 15.4992 15.5117 k = 0.1629-0.0997-0.2731 ( 3511 PWs) bands (ev): -21.4237 -21.4235 -20.7770 -20.7768 -20.6331 -20.6330 -18.8694 -18.8693 -18.4031 -18.4030 -18.2716 -18.2716 -5.9107 -5.9103 -4.3303 -4.3295 -3.8916 -3.8905 -3.2302 -3.2235 -2.4072 -2.4066 -2.1367 -2.1264 -1.9016 -1.8963 -1.7606 -1.7430 -1.3031 -1.2895 -0.9050 -0.9021 -0.4084 -0.4073 -0.0963 -0.0927 0.3989 0.4014 0.4898 0.4990 0.7536 0.7658 1.0491 1.0673 1.5370 1.5543 1.6346 1.6360 10.1105 10.1106 13.9719 13.9778 14.3103 14.3108 14.4521 14.4535 15.5401 15.5521 k = 0.1706-0.1045-0.2861 ( 3513 PWs) bands (ev): -21.4104 -21.4103 -20.7899 -20.7897 -20.6336 -20.6335 -18.8610 -18.8609 -18.4154 -18.4154 -18.2725 -18.2725 -5.8748 -5.8744 -4.3510 -4.3502 -3.8744 -3.8732 -3.2027 -3.1959 -2.4074 -2.4068 -2.1124 -2.1022 -1.9396 -1.9344 -1.7524 -1.7348 -1.2843 -1.2708 -0.9180 -0.9148 -0.4478 -0.4464 -0.1074 -0.1038 0.3859 0.3884 0.4823 0.4910 0.7701 0.7818 1.0254 1.0437 1.5232 1.5403 1.6234 1.6247 10.2011 10.2012 13.9687 13.9740 14.3197 14.3206 14.3860 14.3874 15.5841 15.5956 k = 0.1784-0.1092-0.2991 ( 3515 PWs) bands (ev): -21.3967 -21.3966 -20.8031 -20.8029 -20.6341 -20.6341 -18.8523 -18.8522 -18.4280 -18.4280 -18.2735 -18.2735 -5.8378 -5.8374 -4.3726 -4.3717 -3.8570 -3.8559 -3.1741 -3.1672 -2.4079 -2.4073 -2.0877 -2.0777 -1.9775 -1.9722 -1.7448 -1.7276 -1.2639 -1.2505 -0.9321 -0.9288 -0.4881 -0.4864 -0.1190 -0.1153 0.3731 0.3755 0.4746 0.4829 0.7876 0.7989 1.0018 1.0201 1.5089 1.5259 1.6117 1.6129 10.2942 10.2942 13.9618 13.9667 14.3191 14.3202 14.3316 14.3332 15.6308 15.6418 k = 0.1861-0.1140-0.3121 ( 3511 PWs) bands (ev): -21.3827 -21.3826 -20.8166 -20.8164 -20.6346 -20.6346 -18.8435 -18.8434 -18.4409 -18.4408 -18.2745 -18.2745 -5.7998 -5.7993 -4.3949 -4.3941 -3.8396 -3.8385 -3.1445 -3.1375 -2.4087 -2.4081 -2.0637 -2.0538 -2.0141 -2.0087 -1.7376 -1.7211 -1.2419 -1.2289 -0.9477 -0.9442 -0.5290 -0.5271 -0.1308 -0.1270 0.3604 0.3628 0.4668 0.4746 0.8060 0.8169 0.9782 0.9965 1.4943 1.5111 1.5996 1.6006 10.3895 10.3896 13.9515 13.9558 14.2522 14.2535 14.3455 14.3472 15.6799 15.6904 k = 0.1939-0.1187-0.3251 ( 3509 PWs) bands (ev): -21.3683 -21.3682 -20.8303 -20.8301 -20.6352 -20.6352 -18.8345 -18.8344 -18.4540 -18.4539 -18.2755 -18.2755 -5.7607 -5.7602 -4.4180 -4.4171 -3.8222 -3.8212 -3.1138 -3.1068 -2.4102 -2.4095 -2.0560 -2.0556 -2.0281 -2.0238 -1.7307 -1.7152 -1.2186 -1.2061 -0.9647 -0.9610 -0.5702 -0.5680 -0.1429 -0.1391 0.3479 0.3502 0.4588 0.4663 0.8253 0.8359 0.9549 0.9732 1.4791 1.4959 1.5869 1.5879 10.4870 10.4870 13.9378 13.9416 14.1848 14.1861 14.3617 14.3638 15.7310 15.7411 k = 0.2017-0.1235-0.3381 ( 3511 PWs) bands (ev): -21.3536 -21.3535 -20.8442 -20.8440 -20.6358 -20.6357 -18.8253 -18.8252 -18.4672 -18.4672 -18.2764 -18.2764 -5.7207 -5.7202 -4.4418 -4.4409 -3.8050 -3.8039 -3.0822 -3.0751 -2.4125 -2.4118 -2.0902 -2.0865 -2.0073 -2.0005 -1.7238 -1.7096 -1.1943 -1.1823 -0.9834 -0.9796 -0.6115 -0.6090 -0.1552 -0.1514 0.3357 0.3379 0.4507 0.4580 0.8456 0.8558 0.9320 0.9501 1.4635 1.4801 1.5738 1.5747 10.5864 10.5865 13.9211 13.9243 14.1173 14.1186 14.3801 14.3824 15.7836 15.7933 k = 0.2094-0.1282-0.3511 ( 3509 PWs) bands (ev): -21.3386 -21.3385 -20.8583 -20.8581 -20.6363 -20.6363 -18.8161 -18.8160 -18.4806 -18.4806 -18.2774 -18.2773 -5.6798 -5.6793 -4.4663 -4.4654 -3.7879 -3.7869 -3.0496 -3.0426 -2.4163 -2.4155 -2.1239 -2.1199 -1.9824 -1.9763 -1.7164 -1.7039 -1.1692 -1.1578 -1.0041 -1.0000 -0.6524 -0.6495 -0.1676 -0.1639 0.3238 0.3259 0.4426 0.4497 0.8666 0.8764 0.9095 0.9275 1.4474 1.4638 1.5602 1.5610 10.6877 10.6878 13.9016 13.9045 14.0497 14.0510 14.4002 14.4028 15.8375 15.8468 k = 0.2172-0.1330-0.3641 ( 3515 PWs) bands (ev): -21.3234 -21.3233 -20.8725 -20.8723 -20.6369 -20.6369 -18.8067 -18.8066 -18.4942 -18.4941 -18.2783 -18.2783 -5.6382 -5.6376 -4.4915 -4.4906 -3.7710 -3.7702 -3.0162 -3.0092 -2.4220 -2.4212 -2.1553 -2.1512 -1.9576 -1.9528 -1.7082 -1.6978 -1.1435 -1.1329 -1.0267 -1.0226 -0.6926 -0.6894 -0.1801 -0.1765 0.3123 0.3141 0.4345 0.4414 0.8854 0.8878 0.9000 0.9060 1.4308 1.4469 1.5462 1.5468 10.7908 10.7908 13.8798 13.8823 13.9822 13.9834 14.4218 14.4246 15.8921 15.9011 k = 0.2249-0.1377-0.3771 ( 3511 PWs) bands (ev): -21.3080 -21.3078 -20.8868 -20.8866 -20.6375 -20.6375 -18.7972 -18.7972 -18.5078 -18.5077 -18.2791 -18.2791 -5.5957 -5.5951 -4.5173 -4.5164 -3.7546 -3.7537 -2.9820 -2.9750 -2.4304 -2.4294 -2.1832 -2.1793 -1.9337 -1.9307 -1.6987 -1.6906 -1.1176 -1.1080 -1.0514 -1.0476 -0.7316 -0.7282 -0.1926 -0.1890 0.3011 0.3028 0.4264 0.4331 0.8646 0.8820 0.9129 0.9218 1.4136 1.4295 1.5317 1.5322 10.8954 10.8955 13.8560 13.8581 13.9150 13.9161 14.4445 14.4475 15.9472 15.9558 k = 0.2327-0.1425-0.3901 ( 3510 PWs) bands (ev): -21.2923 -21.2922 -20.9012 -20.9010 -20.6381 -20.6381 -18.7878 -18.7877 -18.5214 -18.5214 -18.2799 -18.2799 -5.5526 -5.5519 -4.5436 -4.5428 -3.7385 -3.7378 -2.9470 -2.9401 -2.4423 -2.4411 -2.2068 -2.2030 -1.9113 -1.9105 -1.6871 -1.6818 -1.0919 -1.0885 -1.0748 -1.0732 -0.7692 -0.7656 -0.2049 -0.2014 0.2904 0.2919 0.4184 0.4250 0.8433 0.8610 0.9363 0.9452 1.3958 1.4116 1.5167 1.5172 11.0016 11.0017 13.8299 13.8320 13.8485 13.8493 14.4681 14.4712 16.0024 16.0106 k = 0.2404-0.1472-0.4031 ( 3504 PWs) bands (ev): -21.2766 -21.2764 -20.9156 -20.9154 -20.6387 -20.6386 -18.7783 -18.7782 -18.5351 -18.5350 -18.2807 -18.2807 -5.5088 -5.5082 -4.5706 -4.5697 -3.7230 -3.7223 -2.9113 -2.9045 -2.4582 -2.4568 -2.2254 -2.2219 -1.8927 -1.8910 -1.6732 -1.6709 -1.1115 -1.1056 -1.0657 -1.0555 -0.8051 -0.8013 -0.2169 -0.2136 0.2801 0.2815 0.4105 0.4171 0.8226 0.8403 0.9608 0.9696 1.3776 1.3931 1.5014 1.5018 11.1092 11.1092 13.7802 13.7816 13.8047 13.8059 14.4923 14.4954 16.0571 16.0651 k = 0.2482-0.1520-0.4161 ( 3500 PWs) bands (ev): -21.2607 -21.2605 -20.9300 -20.9298 -20.6393 -20.6392 -18.7688 -18.7687 -18.5487 -18.5487 -18.2814 -18.2814 -5.4645 -5.4638 -4.5979 -4.5971 -3.7080 -3.7074 -2.8750 -2.8683 -2.4782 -2.4765 -2.2387 -2.2356 -1.8776 -1.8733 -1.6573 -1.6565 -1.1438 -1.1383 -1.0407 -1.0315 -0.8390 -0.8351 -0.2286 -0.2254 0.2703 0.2715 0.4028 0.4093 0.8024 0.8201 0.9861 0.9947 1.3587 1.3741 1.4857 1.4860 11.2180 11.2180 13.7143 13.7155 13.7764 13.7776 14.5168 14.5199 16.1112 16.1188 k = 0.2559-0.1567-0.4291 ( 3498 PWs) bands (ev): -21.2447 -21.2446 -20.9444 -20.9442 -20.6399 -20.6398 -18.7594 -18.7593 -18.5623 -18.5623 -18.2820 -18.2820 -5.4197 -5.4190 -4.6258 -4.6250 -3.6937 -3.6933 -2.8381 -2.8315 -2.5017 -2.4999 -2.2473 -2.2444 -1.8653 -1.8585 -1.6408 -1.6369 -1.1790 -1.1736 -1.0166 -1.0080 -0.8710 -0.8671 -0.2396 -0.2367 0.2611 0.2621 0.3952 0.4018 0.7828 0.8004 1.0121 1.0205 1.3394 1.3546 1.4696 1.4698 11.3280 11.3280 13.6487 13.6498 13.7476 13.7486 14.5412 14.5443 16.1642 16.1715 k = 0.2637-0.1615-0.4421 ( 3494 PWs) bands (ev): -21.2287 -21.2286 -20.9587 -20.9585 -20.6404 -20.6404 -18.7500 -18.7499 -18.5758 -18.5758 -18.2826 -18.2826 -5.3745 -5.3737 -4.6540 -4.6532 -3.6802 -3.6798 -2.8007 -2.7943 -2.5281 -2.5260 -2.2516 -2.2490 -1.8557 -1.8467 -1.6212 -1.6148 -1.2164 -1.2112 -0.9938 -0.9856 -0.9010 -0.8972 -0.2500 -0.2472 0.2523 0.2531 0.3879 0.3945 0.7639 0.7814 1.0387 1.0469 1.3195 1.3345 1.4533 1.4534 11.4390 11.4391 13.5837 13.5847 13.7182 13.7191 14.5655 14.5686 16.2073 16.2078 k = 0.2715-0.1662-0.4551 ( 3494 PWs) bands (ev): -21.2128 -21.2126 -20.9729 -20.9727 -20.6410 -20.6410 -18.7408 -18.7407 -18.5893 -18.5892 -18.2830 -18.2830 -5.3289 -5.3281 -4.6825 -4.6817 -3.6675 -3.6672 -2.7629 -2.7567 -2.5563 -2.5541 -2.2527 -2.2504 -1.8483 -1.8375 -1.5990 -1.5903 -1.2558 -1.2507 -0.9731 -0.9651 -0.9286 -0.9254 -0.2593 -0.2568 0.2441 0.2447 0.3809 0.3876 0.7455 0.7630 1.0658 1.0738 1.2992 1.3140 1.4367 1.4367 11.5511 11.5511 13.5194 13.5204 13.6884 13.6892 14.5893 14.5923 16.1345 16.1350 k = 0.2792-0.1710-0.4681 ( 3492 PWs) bands (ev): -21.1968 -21.1967 -20.9869 -20.9867 -20.6416 -20.6416 -18.7317 -18.7316 -18.6025 -18.6024 -18.2834 -18.2834 -5.2831 -5.2822 -4.7113 -4.7105 -3.6557 -3.6555 -2.7248 -2.7188 -2.5856 -2.5833 -2.2512 -2.2490 -1.8427 -1.8306 -1.5745 -1.5642 -1.2966 -1.2918 -0.9640 -0.9565 -0.9451 -0.9419 -0.2675 -0.2653 0.2365 0.2369 0.3743 0.3810 0.7279 0.7453 1.0932 1.1011 1.2784 1.2930 1.4198 1.4199 11.6640 11.6640 13.4560 13.4570 13.6584 13.6591 14.6125 14.6154 16.0629 16.0634 k = 0.2870-0.1757-0.4811 ( 3492 PWs) bands (ev): -21.1810 -21.1808 -21.0008 -21.0006 -20.6421 -20.6421 -18.7227 -18.7227 -18.6156 -18.6155 -18.2837 -18.2837 -5.2369 -5.2360 -4.7402 -4.7395 -3.6449 -3.6448 -2.6865 -2.6807 -2.6152 -2.6128 -2.2476 -2.2456 -1.8385 -1.8255 -1.5483 -1.5367 -1.3386 -1.3339 -0.9853 -0.9804 -0.9321 -0.9269 -0.2743 -0.2724 0.2296 0.2297 0.3681 0.3749 0.7109 0.7283 1.1206 1.1285 1.2573 1.2716 1.4030 1.4031 11.7776 11.7777 13.3936 13.3945 13.6283 13.6288 14.6348 14.6377 15.9928 15.9934 k = 0.2947-0.1805-0.4941 ( 3488 PWs) bands (ev): -21.1653 -21.1651 -21.0145 -21.0143 -20.6426 -20.6426 -18.7140 -18.7139 -18.6285 -18.6284 -18.2838 -18.2838 -5.1907 -5.1897 -4.7692 -4.7685 -3.6351 -3.6351 -2.6520 -2.6480 -2.6407 -2.6367 -2.2423 -2.2405 -1.8353 -1.8217 -1.5209 -1.5084 -1.3812 -1.3766 -1.0098 -1.0054 -0.9174 -0.9123 -0.2794 -0.2779 0.2231 0.2232 0.3623 0.3692 0.6946 0.7119 1.1477 1.1556 1.2359 1.2498 1.3864 1.3866 11.8920 11.8920 13.3322 13.3331 13.5983 13.5987 14.6562 14.6589 15.9245 15.9251 k = 0.3025-0.1852-0.5071 ( 3492 PWs) bands (ev): -21.1497 -21.1496 -21.0279 -21.0277 -20.6432 -20.6431 -18.7055 -18.7054 -18.6412 -18.6411 -18.2839 -18.2839 -5.1443 -5.1433 -4.7983 -4.7976 -3.6266 -3.6265 -2.6754 -2.6730 -2.6079 -2.6025 -2.2357 -2.2341 -1.8327 -1.8188 -1.4930 -1.4798 -1.4239 -1.4194 -1.0340 -1.0298 -0.9050 -0.9001 -0.2828 -0.2815 0.2172 0.2174 0.3570 0.3641 0.6790 0.6963 1.1733 1.1820 1.2150 1.2278 1.3706 1.3708 12.0069 12.0070 13.2720 13.2728 13.5685 13.5689 14.6764 14.6790 15.8580 15.8586 k = 0.3102-0.1900-0.5201 ( 3486 PWs) bands (ev): -21.1344 -21.1342 -21.0411 -21.0409 -20.6436 -20.6436 -18.6972 -18.6971 -18.6536 -18.6535 -18.2838 -18.2838 -5.0979 -5.0968 -4.8272 -4.8266 -3.6192 -3.6190 -2.7041 -2.7018 -2.5690 -2.5639 -2.2280 -2.2265 -1.8307 -1.8165 -1.4704 -1.4689 -1.4566 -1.4489 -1.0577 -1.0537 -0.8953 -0.8907 -0.2841 -0.2832 0.2118 0.2123 0.3523 0.3595 0.6641 0.6814 1.1852 1.2019 1.2057 1.2102 1.3563 1.3566 12.1223 12.1223 13.2130 13.2138 13.5391 13.5394 14.6953 14.6978 15.7935 15.7941 k = 0.3180-0.1947-0.5331 ( 3484 PWs) bands (ev): -21.1193 -21.1191 -21.0540 -21.0538 -20.6441 -20.6441 -18.6892 -18.6891 -18.6657 -18.6656 -18.2836 -18.2836 -5.0515 -5.0504 -4.8560 -4.8554 -3.6131 -3.6128 -2.7322 -2.7299 -2.5300 -2.5252 -2.2193 -2.2180 -1.8288 -1.8146 -1.5105 -1.5069 -1.4345 -1.4211 -1.0811 -1.0772 -0.8886 -0.8844 -0.2833 -0.2828 0.2071 0.2078 0.3481 0.3555 0.6499 0.6673 1.1665 1.1819 1.2231 1.2285 1.3457 1.3462 12.2380 12.2381 13.1554 13.1561 13.5102 13.5105 14.7129 14.7152 15.7310 15.7316 k = 0.3257-0.1995-0.5461 ( 3478 PWs) bands (ev): -21.1044 -21.1043 -21.0665 -21.0664 -20.6445 -20.6445 -18.6815 -18.6814 -18.6775 -18.6774 -18.2833 -18.2833 -5.0053 -5.0042 -4.8845 -4.8840 -3.6083 -3.6079 -2.7594 -2.7572 -2.4911 -2.4865 -2.2097 -2.2086 -1.8271 -1.8129 -1.5527 -1.5489 -1.4065 -1.3927 -1.1041 -1.1004 -0.8850 -0.8811 -0.2804 -0.2803 0.2031 0.2040 0.3447 0.3522 0.6365 0.6539 1.1442 1.1591 1.2364 1.2415 1.3422 1.3433 12.3540 12.3540 13.0992 13.0999 13.4820 13.4822 14.7290 14.7312 15.6706 15.6712 k = 0.3335-0.2042-0.5591 ( 3482 PWs) bands (ev): -21.0900 -21.0898 -21.0788 -21.0786 -20.6449 -20.6449 -18.6890 -18.6889 -18.6741 -18.6740 -18.2828 -18.2828 -4.9592 -4.9581 -4.9127 -4.9122 -3.6048 -3.6043 -2.7857 -2.7835 -2.4522 -2.4479 -2.1994 -2.1984 -1.8253 -1.8112 -1.5942 -1.5905 -1.3787 -1.3648 -1.1268 -1.1233 -0.8844 -0.8809 -0.2756 -0.2754 0.1996 0.2008 0.3419 0.3495 0.6239 0.6412 1.1214 1.1360 1.2388 1.2431 1.3497 1.3517 12.4699 12.4700 13.0446 13.0452 13.4548 13.4549 14.7437 14.7458 15.6124 15.6130 k = 0.3413-0.2090-0.5722 ( 3480 PWs) bands (ev): -21.0906 -21.0905 -21.0758 -21.0757 -20.6453 -20.6453 -18.7001 -18.7000 -18.6670 -18.6669 -18.2823 -18.2823 -4.9405 -4.9400 -4.9134 -4.9121 -3.6027 -3.6021 -2.8108 -2.8087 -2.4135 -2.4095 -2.1885 -2.1877 -1.8233 -1.8093 -1.6349 -1.6311 -1.3517 -1.3377 -1.1493 -1.1459 -0.8868 -0.8836 -0.2690 -0.2685 0.1968 0.1982 0.3398 0.3476 0.6120 0.6293 1.0984 1.1128 1.2313 1.2347 1.3669 1.3696 12.5857 12.5858 12.9916 12.9922 13.4286 13.4288 14.7569 14.7588 15.5565 15.5570 k = 0.3490-0.2137-0.5852 ( 3484 PWs) bands (ev): -21.1021 -21.1020 -21.0621 -21.0620 -20.6456 -20.6456 -18.7108 -18.7108 -18.6602 -18.6602 -18.2816 -18.2816 -4.9677 -4.9672 -4.8679 -4.8667 -3.6020 -3.6013 -2.8349 -2.8328 -2.3751 -2.3714 -2.1769 -2.1764 -1.8212 -1.8073 -1.6744 -1.6707 -1.3256 -1.3115 -1.1715 -1.1683 -0.8920 -0.8892 -0.2606 -0.2599 0.1946 0.1962 0.3386 0.3464 0.6009 0.6182 1.0753 1.0895 1.2179 1.2209 1.3895 1.3926 12.7010 12.7011 12.9404 12.9409 13.4040 13.4041 14.7686 14.7704 15.5029 15.5034 k = 0.3568-0.2185-0.5982 ( 3488 PWs) bands (ev): -21.1131 -21.1130 -21.0489 -21.0487 -20.6459 -20.6459 -18.7212 -18.7211 -18.6539 -18.6538 -18.2808 -18.2808 -4.9942 -4.9938 -4.8229 -4.8216 -3.6027 -3.6019 -2.8577 -2.8558 -2.3372 -2.3337 -2.1649 -2.1646 -1.8188 -1.8051 -1.7126 -1.7090 -1.3008 -1.2866 -1.1933 -1.1904 -0.8996 -0.8972 -0.2507 -0.2497 0.1930 0.1947 0.3381 0.3460 0.5906 0.6079 1.0522 1.0663 1.2016 1.2043 1.4146 1.4178 12.8151 12.8152 12.8910 12.8915 13.3816 13.3816 14.7789 14.7805 15.4517 15.4522 k = 0.3645-0.2232-0.6112 ( 3488 PWs) bands (ev): -21.1237 -21.1236 -21.0361 -21.0359 -20.6461 -20.6461 -18.7311 -18.7310 -18.6479 -18.6478 -18.2799 -18.2799 -5.0200 -5.0196 -4.7783 -4.7770 -3.6048 -3.6040 -2.8794 -2.8775 -2.2997 -2.2965 -2.1524 -2.1524 -1.8162 -1.8025 -1.7493 -1.7458 -1.2778 -1.2631 -1.2142 -1.2121 -0.9094 -0.9074 -0.2396 -0.2384 0.1920 0.1939 0.3384 0.3463 0.5811 0.5984 1.0292 1.0432 1.1838 1.1864 1.4405 1.4438 12.8435 12.8440 12.9268 12.9270 13.3625 13.3625 14.7878 14.7893 15.4029 15.4035 k = 0.3723-0.2280-0.6242 ( 3478 PWs) bands (ev): -21.1338 -21.1337 -21.0238 -21.0237 -20.6463 -20.6463 -18.7405 -18.7405 -18.6422 -18.6422 -18.2790 -18.2789 -5.0450 -5.0446 -4.7344 -4.7330 -3.6083 -3.6074 -2.8998 -2.8980 -2.2628 -2.2600 -2.1399 -2.1396 -1.8142 -1.7998 -1.7834 -1.7808 -1.2596 -1.2441 -1.2316 -1.2305 -0.9211 -0.9195 -0.2275 -0.2262 0.1915 0.1936 0.3396 0.3475 0.5724 0.5897 1.0064 1.0203 1.1652 1.1677 1.4666 1.4698 12.7981 12.7985 13.0331 13.0332 13.3498 13.3498 14.7954 14.7967 15.3567 15.3572 k = 0.6277 0.0522-0.4282 ( 3478 PWs) bands (ev): -21.1338 -21.1337 -21.0238 -21.0237 -20.6463 -20.6463 -18.7405 -18.7405 -18.6422 -18.6422 -18.2790 -18.2790 -5.0450 -5.0446 -4.7343 -4.7330 -3.6083 -3.6074 -2.8998 -2.8980 -2.2628 -2.2600 -2.1399 -2.1396 -1.8142 -1.7998 -1.7834 -1.7808 -1.2596 -1.2441 -1.2316 -1.2305 -0.9211 -0.9195 -0.2275 -0.2262 0.1915 0.1936 0.3396 0.3475 0.5724 0.5897 1.0064 1.0203 1.1652 1.1677 1.4666 1.4698 12.7981 12.7985 13.0331 13.0332 13.3498 13.3498 14.7954 14.7967 15.3567 15.3572 k = 0.6202 0.0656-0.4282 ( 3480 PWs) bands (ev): -21.1432 -21.1431 -21.0124 -21.0123 -20.6465 -20.6465 -18.7493 -18.7492 -18.6371 -18.6371 -18.2779 -18.2779 -5.0683 -5.0680 -4.6924 -4.6911 -3.6131 -3.6121 -2.9184 -2.9167 -2.2279 -2.2254 -2.1276 -2.1268 -1.8234 -1.8144 -1.8034 -1.7953 -1.2637 -1.2565 -1.2280 -1.2188 -0.9337 -0.9325 -0.2152 -0.2138 0.1915 0.1937 0.3415 0.3494 0.5649 0.5820 0.9845 0.9983 1.1469 1.1493 1.4916 1.4947 12.7561 12.7565 13.1227 13.1228 13.3518 13.3518 14.8016 14.8028 15.3143 15.3148 k = 0.6127 0.0790-0.4282 ( 3482 PWs) bands (ev): -21.1521 -21.1519 -21.0016 -21.0015 -20.6466 -20.6466 -18.7576 -18.7575 -18.6324 -18.6323 -18.2769 -18.2769 -5.0907 -5.0904 -4.6512 -4.6499 -3.6191 -3.6180 -2.9359 -2.9343 -2.1939 -2.1916 -2.1151 -2.1139 -1.8516 -1.8450 -1.8022 -1.7918 -1.2817 -1.2765 -1.2120 -1.2011 -0.9473 -0.9466 -0.2026 -0.2010 0.1919 0.1943 0.3442 0.3520 0.5581 0.5751 0.9630 0.9766 1.1284 1.1308 1.5159 1.5189 12.7162 12.7166 13.1809 13.1811 13.3860 13.3861 14.8068 14.8078 15.2744 15.2749 k = 0.6052 0.0924-0.4282 ( 3484 PWs) bands (ev): -21.1604 -21.1603 -20.9914 -20.9913 -20.6467 -20.6467 -18.7654 -18.7654 -18.6280 -18.6280 -18.2758 -18.2757 -5.1120 -5.1118 -4.6109 -4.6095 -3.6263 -3.6252 -2.9521 -2.9506 -2.1609 -2.1590 -2.1026 -2.1008 -1.8806 -1.8740 -1.7981 -1.7875 -1.3010 -1.2964 -1.1963 -1.1850 -0.9613 -0.9612 -0.1897 -0.1882 0.1927 0.1952 0.3477 0.3552 0.5521 0.5690 0.9418 0.9553 1.1100 1.1124 1.5395 1.5423 12.6785 12.6788 13.1998 13.2000 13.4604 13.4604 14.8110 14.8119 15.2370 15.2374 k = 0.5977 0.1058-0.4282 ( 3486 PWs) bands (ev): -21.1683 -21.1682 -20.9818 -20.9816 -20.6468 -20.6467 -18.7728 -18.7727 -18.6240 -18.6239 -18.2746 -18.2746 -5.1323 -5.1320 -4.5715 -4.5702 -3.6347 -3.6335 -2.9672 -2.9658 -2.1292 -2.1277 -2.0901 -2.0876 -1.9081 -1.9009 -1.7929 -1.7826 -1.3203 -1.3160 -1.1825 -1.1711 -0.9757 -0.9753 -0.1770 -0.1755 0.1939 0.1965 0.3518 0.3592 0.5469 0.5637 0.9212 0.9345 1.0918 1.0941 1.5621 1.5647 12.6429 12.6432 13.1978 13.1979 13.5566 13.5566 14.8144 14.8152 15.2020 15.2024 k = 0.5902 0.1192-0.4282 ( 3486 PWs) bands (ev): -21.1756 -21.1755 -20.9728 -20.9726 -20.6468 -20.6468 -18.7796 -18.7796 -18.6203 -18.6202 -18.2734 -18.2734 -5.1513 -5.1511 -4.5333 -4.5319 -3.6441 -3.6429 -2.9812 -2.9799 -2.0993 -2.0986 -2.0774 -2.0743 -1.9338 -1.9257 -1.7870 -1.7771 -1.3392 -1.3351 -1.1713 -1.1601 -0.9895 -0.9887 -0.1646 -0.1631 0.1953 0.1980 0.3565 0.3636 0.5426 0.5591 0.9012 0.9142 1.0739 1.0762 1.5836 1.5860 12.6097 12.6100 13.1883 13.1884 13.6609 13.6609 14.8171 14.8178 15.1696 15.1700 k = 0.5826 0.1326-0.4282 ( 3482 PWs) bands (ev): -21.1824 -21.1824 -20.9644 -20.9643 -20.6468 -20.6468 -18.7860 -18.7859 -18.6169 -18.6169 -18.2723 -18.2723 -5.1691 -5.1689 -4.4963 -4.4949 -3.6544 -3.6532 -2.9940 -2.9928 -2.0751 -2.0723 -2.0616 -2.0600 -1.9574 -1.9478 -1.7804 -1.7709 -1.3575 -1.3536 -1.1634 -1.1525 -1.0017 -1.0005 -0.1526 -0.1512 0.1970 0.1997 0.3618 0.3686 0.5391 0.5552 0.8820 0.8947 1.0566 1.0588 1.6039 1.6061 12.5789 12.5791 13.1765 13.1766 13.7682 13.7683 14.8193 14.8198 15.1397 15.1400 k = 0.5751 0.1460-0.4282 ( 3480 PWs) bands (ev): -21.1887 -21.1886 -20.9567 -20.9566 -20.6468 -20.6467 -18.7918 -18.7918 -18.6139 -18.6139 -18.2711 -18.2711 -5.1856 -5.1854 -4.4607 -4.4594 -3.6655 -3.6643 -3.0056 -3.0045 -2.0622 -2.0538 -2.0401 -2.0388 -1.9784 -1.9667 -1.7729 -1.7639 -1.3750 -1.3714 -1.1594 -1.1490 -1.0114 -1.0100 -0.1413 -0.1400 0.1989 0.2016 0.3675 0.3740 0.5365 0.5521 0.8636 0.8759 1.0398 1.0421 1.6228 1.6248 12.5504 12.5507 13.1643 13.1643 13.8765 13.8766 14.8210 14.8214 15.1123 15.1127 k = 0.5676 0.1594-0.4282 ( 3478 PWs) bands (ev): -21.1944 -21.1943 -20.9497 -20.9496 -20.6467 -20.6467 -18.7971 -18.7971 -18.6112 -18.6112 -18.2701 -18.2700 -5.2006 -5.2005 -4.4268 -4.4255 -3.6772 -3.6761 -3.0161 -3.0151 -2.0551 -2.0426 -2.0176 -2.0153 -1.9954 -1.9810 -1.7646 -1.7562 -1.3917 -1.3882 -1.1596 -1.1500 -1.0179 -1.0166 -0.1307 -0.1295 0.2008 0.2035 0.3736 0.3796 0.5346 0.5496 0.8462 0.8581 1.0239 1.0260 1.6402 1.6420 12.5245 12.5248 13.1524 13.1524 13.9848 13.9849 14.8225 14.8228 15.0876 15.0879 k = 0.5601 0.1729-0.4282 ( 3486 PWs) bands (ev): -21.1995 -21.1994 -20.9434 -20.9433 -20.6466 -20.6466 -18.8019 -18.8019 -18.6088 -18.6088 -18.2690 -18.2690 -5.2143 -5.2142 -4.3948 -4.3936 -3.6893 -3.6882 -3.0255 -3.0246 -2.0534 -2.0384 -2.0088 -1.9943 -1.9928 -1.9883 -1.7556 -1.7479 -1.4074 -1.4041 -1.1639 -1.1554 -1.0212 -1.0202 -0.1209 -0.1198 0.2028 0.2053 0.3798 0.3853 0.5335 0.5477 0.8300 0.8412 1.0089 1.0109 1.6560 1.6577 12.5012 12.5014 13.1413 13.1413 14.0924 14.0926 14.8240 14.8241 15.0654 15.0657 k = 0.5526 0.1863-0.4282 ( 3486 PWs) bands (ev): -21.2041 -21.2040 -20.9378 -20.9377 -20.6466 -20.6466 -18.8061 -18.8061 -18.6067 -18.6067 -18.2681 -18.2681 -5.2265 -5.2264 -4.3650 -4.3638 -3.7015 -3.7004 -3.0337 -3.0329 -2.0574 -2.0451 -2.0059 -1.9907 -1.9744 -1.9739 -1.7459 -1.7389 -1.4218 -1.4188 -1.1715 -1.1642 -1.0218 -1.0212 -0.1121 -0.1112 0.2048 0.2072 0.3859 0.3910 0.5331 0.5463 0.8151 0.8256 0.9951 0.9970 1.6702 1.6717 12.4805 12.4806 13.1312 13.1312 14.1987 14.1989 14.8257 14.8257 15.0458 15.0461 k = 0.5451 0.1997-0.4282 ( 3478 PWs) bands (ev): -21.2080 -21.2080 -20.9329 -20.9328 -20.6465 -20.6465 -18.8098 -18.8098 -18.6049 -18.6049 -18.2672 -18.2672 -5.2371 -5.2370 -4.3377 -4.3366 -3.7134 -3.7124 -3.0408 -3.0402 -2.0647 -2.0564 -1.9982 -1.9873 -1.9579 -1.9574 -1.7358 -1.7296 -1.4349 -1.4321 -1.1810 -1.1750 -1.0206 -1.0204 -0.1043 -0.1035 0.2067 0.2089 0.3919 0.3964 0.5333 0.5453 0.8017 0.8113 0.9826 0.9843 1.6827 1.6839 12.4624 12.4625 13.1223 13.1223 14.3029 14.3032 14.8279 14.8281 15.0289 15.0291 k = 0.5376 0.2131-0.4282 ( 3474 PWs) bands (ev): -21.2114 -21.2113 -20.9288 -20.9287 -20.6464 -20.6464 -18.8129 -18.8129 -18.6035 -18.6034 -18.2665 -18.2664 -5.2462 -5.2461 -4.3134 -4.3124 -3.7247 -3.7238 -3.0468 -3.0463 -2.0730 -2.0673 -1.9899 -1.9821 -1.9441 -1.9435 -1.7257 -1.7204 -1.4463 -1.4439 -1.1914 -1.1865 -1.0186 -1.0186 -0.0976 -0.0969 0.2085 0.2104 0.3975 0.4013 0.5341 0.5447 0.7901 0.7986 0.9717 0.9731 1.6934 1.6944 12.4471 12.4472 13.1146 13.1146 14.4039 14.4042 14.8314 14.8318 15.0145 15.0147 k = 0.5301 0.2265-0.4282 ( 3484 PWs) bands (ev): -21.2141 -21.2141 -20.9254 -20.9253 -20.6463 -20.6463 -18.8155 -18.8155 -18.6023 -18.6022 -18.2658 -18.2658 -5.2537 -5.2536 -4.2925 -4.2916 -3.7349 -3.7341 -3.0517 -3.0513 -2.0806 -2.0767 -1.9824 -1.9768 -1.9330 -1.9325 -1.7161 -1.7117 -1.4560 -1.4540 -1.2015 -1.1976 -1.0166 -1.0164 -0.0921 -0.0915 0.2100 0.2116 0.4025 0.4056 0.5353 0.5442 0.7804 0.7876 0.9624 0.9636 1.7022 1.7031 12.4344 12.4345 13.1083 13.1083 14.4992 14.4997 14.8375 14.8381 15.0028 15.0029 k = 0.5225 0.2399-0.4282 ( 3486 PWs) bands (ev): -21.2163 -21.2162 -20.9227 -20.9227 -20.6463 -20.6463 -18.8175 -18.8175 -18.6013 -18.6013 -18.2653 -18.2653 -5.2595 -5.2594 -4.2754 -4.2747 -3.7436 -3.7429 -3.0555 -3.0552 -2.0869 -2.0843 -1.9761 -1.9721 -1.9245 -1.9241 -1.7075 -1.7042 -1.4637 -1.4621 -1.2104 -1.2075 -1.0146 -1.0143 -0.0877 -0.0873 0.2113 0.2126 0.4067 0.4091 0.5367 0.5437 0.7728 0.7785 0.9550 0.9559 1.7092 1.7098 12.4246 12.4247 13.1033 13.1033 14.5847 14.5853 14.8489 14.8497 14.9938 14.9938 k = 0.5150 0.2533-0.4282 ( 3492 PWs) bands (ev): -21.2178 -21.2178 -20.9208 -20.9208 -20.6462 -20.6462 -18.8189 -18.8189 -18.6007 -18.6007 -18.2650 -18.2650 -5.2637 -5.2637 -4.2627 -4.2623 -3.7501 -3.7497 -3.0582 -3.0580 -2.0914 -2.0898 -1.9712 -1.9687 -1.9185 -1.9182 -1.7007 -1.6985 -1.4692 -1.4681 -1.2171 -1.2152 -1.0129 -1.0127 -0.0845 -0.0843 0.2124 0.2132 0.4100 0.4116 0.5382 0.5430 0.7676 0.7715 0.9496 0.9503 1.7142 1.7146 12.4176 12.4176 13.0997 13.0997 14.6524 14.6530 14.8697 14.8706 14.9875 14.9875 k = 0.5075 0.2667-0.4282 ( 3490 PWs) bands (ev): -21.2187 -21.2187 -20.9197 -20.9197 -20.6462 -20.6462 -18.8198 -18.8198 -18.6003 -18.6003 -18.2647 -18.2647 -5.2662 -5.2662 -4.2549 -4.2546 -3.7542 -3.7540 -3.0598 -3.0597 -2.0941 -2.0933 -1.9679 -1.9667 -1.9149 -1.9148 -1.6961 -1.6950 -1.4725 -1.4719 -1.2213 -1.2203 -1.0119 -1.0118 -0.0826 -0.0825 0.2131 0.2135 0.4122 0.4130 0.5398 0.5422 0.7648 0.7668 0.9464 0.9468 1.7173 1.7175 12.4133 12.4134 13.0976 13.0976 14.6936 14.6940 14.8991 14.8998 14.9841 14.9842 k = 0.5000 0.2801-0.4282 ( 3490 PWs) bands (ev): -21.2190 -21.2190 -20.9193 -20.9193 -20.6462 -20.6462 -18.8201 -18.8201 -18.6001 -18.6001 -18.2647 -18.2647 -5.2670 -5.2670 -4.2521 -4.2521 -3.7556 -3.7556 -3.0603 -3.0603 -2.0947 -2.0947 -1.9664 -1.9664 -1.9137 -1.9137 -1.6942 -1.6942 -1.4734 -1.4734 -1.2224 -1.2224 -1.0115 -1.0115 -0.0819 -0.0819 0.2135 0.2135 0.4132 0.4132 0.5411 0.5411 0.7645 0.7645 0.9455 0.9455 1.7184 1.7184 12.4119 12.4119 13.0968 13.0968 14.7068 14.7068 14.9161 14.9161 14.9834 14.9834 k = 0.5000 0.2801-0.4282 ( 3490 PWs) bands (ev): -21.2190 -21.2190 -20.9193 -20.9193 -20.6462 -20.6462 -18.8201 -18.8201 -18.6001 -18.6001 -18.2647 -18.2647 -5.2670 -5.2670 -4.2521 -4.2521 -3.7556 -3.7556 -3.0603 -3.0603 -2.0947 -2.0947 -1.9664 -1.9664 -1.9137 -1.9137 -1.6942 -1.6942 -1.4734 -1.4734 -1.2224 -1.2224 -1.0115 -1.0115 -0.0819 -0.0819 0.2135 0.2135 0.4132 0.4132 0.5411 0.5411 0.7645 0.7645 0.9455 0.9455 1.7184 1.7184 12.4119 12.4119 13.0968 13.0968 14.7068 14.7068 14.9161 14.9161 14.9834 14.9834 k = 0.5080 0.2846-0.4160 ( 3492 PWs) bands (ev): -21.2192 -21.2192 -20.9191 -20.9191 -20.6461 -20.6461 -18.8207 -18.8207 -18.5995 -18.5995 -18.2647 -18.2647 -5.2670 -5.2670 -4.2526 -4.2525 -3.7552 -3.7549 -3.0597 -3.0593 -2.0973 -2.0962 -1.9704 -1.9696 -1.9108 -1.9100 -1.6969 -1.6908 -1.4749 -1.4711 -1.2212 -1.2204 -1.0119 -1.0110 -0.0836 -0.0827 0.2109 0.2146 0.4131 0.4168 0.5400 0.5407 0.7616 0.7640 0.9459 0.9487 1.7180 1.7183 12.4136 12.4136 13.0978 13.0978 14.6847 14.6858 14.9163 14.9184 14.9740 14.9753 k = 0.5160 0.2891-0.4038 ( 3496 PWs) bands (ev): -21.2196 -21.2196 -20.9186 -20.9186 -20.6460 -20.6460 -18.8225 -18.8225 -18.5978 -18.5977 -18.2649 -18.2649 -5.2667 -5.2667 -4.2539 -4.2538 -3.7540 -3.7534 -3.0576 -3.0568 -2.1040 -2.1018 -1.9786 -1.9773 -1.9038 -1.9020 -1.6990 -1.6871 -1.4754 -1.4679 -1.2169 -1.2154 -1.0122 -1.0105 -0.0877 -0.0859 0.2070 0.2142 0.4163 0.4234 0.5375 0.5388 0.7555 0.7600 0.9500 0.9552 1.7173 1.7179 12.4185 12.4185 13.1006 13.1006 14.6262 14.6275 14.9193 14.9230 14.9608 14.9622 k = 0.5239 0.2935-0.3915 ( 3491 PWs) bands (ev): -21.2204 -21.2204 -20.9178 -20.9177 -20.6458 -20.6458 -18.8254 -18.8253 -18.5949 -18.5948 -18.2652 -18.2652 -5.2664 -5.2664 -4.2561 -4.2558 -3.7518 -3.7510 -3.0541 -3.0529 -2.1150 -2.1118 -1.9875 -1.9857 -1.8958 -1.8931 -1.7008 -1.6836 -1.4742 -1.4635 -1.2098 -1.2077 -1.0125 -1.0099 -0.0942 -0.0915 0.2023 0.2124 0.4225 0.4328 0.5335 0.5358 0.7467 0.7530 0.9573 0.9646 1.7162 1.7171 12.4267 12.4267 13.1053 13.1053 14.5443 14.5455 14.9252 14.9300 14.9525 14.9544 k = 0.5319 0.2980-0.3793 ( 3495 PWs) bands (ev): -21.2215 -21.2214 -20.9166 -20.9165 -20.6455 -20.6455 -18.8293 -18.8293 -18.5910 -18.5909 -18.2656 -18.2656 -5.2659 -5.2659 -4.2590 -4.2587 -3.7487 -3.7476 -3.0491 -3.0475 -2.1303 -2.1263 -1.9950 -1.9928 -1.8886 -1.8849 -1.7030 -1.6815 -1.4705 -1.4574 -1.2001 -1.1974 -1.0126 -1.0092 -0.1030 -0.0996 0.1972 0.2098 0.4310 0.4441 0.5284 0.5318 0.7358 0.7435 0.9672 0.9761 1.7147 1.7159 12.4381 12.4381 13.1118 13.1119 14.4494 14.4503 14.9330 14.9395 14.9485 14.9521 k = 0.5399 0.3025-0.3670 ( 3493 PWs) bands (ev): -21.2229 -21.2228 -20.9150 -20.9150 -20.6451 -20.6451 -18.8341 -18.8341 -18.5862 -18.5861 -18.2661 -18.2661 -5.2654 -5.2654 -4.2626 -4.2623 -3.7447 -3.7433 -3.0427 -3.0408 -2.1494 -2.1447 -2.0004 -1.9979 -1.8827 -1.8780 -1.7062 -1.6815 -1.4636 -1.4491 -1.1883 -1.1851 -1.0125 -1.0082 -0.1139 -0.1099 0.1921 0.2065 0.4408 0.4565 0.5226 0.5275 0.7233 0.7321 0.9792 0.9895 1.7129 1.7143 12.4526 12.4527 13.1202 13.1202 14.3473 14.3479 14.9401 14.9461 14.9528 14.9559 k = 0.5479 0.3070-0.3548 ( 3491 PWs) bands (ev): -21.2245 -21.2245 -20.9132 -20.9131 -20.6447 -20.6447 -18.8397 -18.8396 -18.5806 -18.5806 -18.2667 -18.2667 -5.2650 -5.2650 -4.2670 -4.2665 -3.7398 -3.7382 -3.0351 -3.0328 -2.1714 -2.1664 -2.0038 -2.0011 -1.8781 -1.8727 -1.7109 -1.6842 -1.4533 -1.4382 -1.1748 -1.1711 -1.0121 -1.0070 -0.1271 -0.1225 0.1872 0.2031 0.4503 0.4681 0.5178 0.5241 0.7096 0.7193 0.9929 1.0042 1.7107 1.7125 12.4703 12.4704 13.1303 13.1304 14.2410 14.2415 14.9435 14.9463 14.9673 14.9678 k = 0.5559 0.3114-0.3425 ( 3483 PWs) bands (ev): -21.2265 -21.2264 -20.9109 -20.9109 -20.6442 -20.6441 -18.8459 -18.8458 -18.5744 -18.5743 -18.2674 -18.2674 -5.2647 -5.2646 -4.2718 -4.2713 -3.7340 -3.7322 -3.0264 -3.0238 -2.1954 -2.1902 -2.0056 -2.0027 -1.8749 -1.8687 -1.7174 -1.6898 -1.4395 -1.4248 -1.1600 -1.1558 -1.0112 -1.0053 -0.1421 -0.1372 0.1829 0.1998 0.4569 0.4745 0.5178 0.5238 0.6951 0.7055 1.0078 1.0199 1.7083 1.7103 12.4910 12.4911 13.1420 13.1421 14.1322 14.1325 14.9454 14.9472 14.9842 14.9855 k = 0.5639 0.3159-0.3303 ( 3483 PWs) bands (ev): -21.2288 -21.2287 -20.9084 -20.9083 -20.6436 -20.6436 -18.8525 -18.8525 -18.5676 -18.5676 -18.2683 -18.2683 -5.2646 -5.2646 -4.2772 -4.2765 -3.7275 -3.7255 -3.0166 -3.0138 -2.2207 -2.2155 -2.0062 -2.0031 -1.8729 -1.8661 -1.7257 -1.6979 -1.4228 -1.4091 -1.1444 -1.1397 -1.0096 -1.0029 -0.1590 -0.1538 0.1791 0.1968 0.4578 0.4715 0.5264 0.5295 0.6801 0.6912 1.0237 1.0365 1.7055 1.7079 12.5145 12.5147 13.1553 13.1555 14.0218 14.0220 14.9472 14.9486 15.0043 15.0060 k = 0.5718 0.3204-0.3180 ( 3493 PWs) bands (ev): -21.2314 -21.2314 -20.9055 -20.9054 -20.6429 -20.6429 -18.8596 -18.8595 -18.5605 -18.5604 -18.2692 -18.2692 -5.2648 -5.2648 -4.2829 -4.2821 -3.7201 -3.7180 -3.0062 -3.0031 -2.2466 -2.2415 -2.0058 -2.0027 -1.8720 -1.8647 -1.7356 -1.7082 -1.4038 -1.3914 -1.1287 -1.1233 -1.0067 -0.9994 -0.1776 -0.1722 0.1758 0.1941 0.4523 0.4617 0.5393 0.5431 0.6650 0.6767 1.0403 1.0537 1.7025 1.7052 12.5409 12.5410 13.1700 13.1702 13.9107 13.9108 14.9492 14.9504 15.0272 15.0292 k = 0.5798 0.3248-0.3058 ( 3497 PWs) bands (ev): -21.2344 -21.2343 -20.9023 -20.9022 -20.6422 -20.6422 -18.8670 -18.8669 -18.5529 -18.5528 -18.2701 -18.2701 -5.2656 -5.2655 -4.2888 -4.2879 -3.7121 -3.7099 -2.9951 -2.9919 -2.2727 -2.2677 -2.0048 -2.0015 -1.8721 -1.8642 -1.7467 -1.7200 -1.3833 -1.3723 -1.1134 -1.1073 -1.0021 -0.9942 -0.1976 -0.1920 0.1730 0.1918 0.4421 0.4484 0.5547 0.5609 0.6503 0.6622 1.0575 1.0713 1.6993 1.7022 12.5698 12.5700 13.1857 13.1859 13.7994 13.7995 14.9512 14.9524 15.0528 15.0550 k = 0.5878 0.3293-0.2936 ( 3496 PWs) bands (ev): -21.2376 -21.2375 -20.8988 -20.8987 -20.6414 -20.6414 -18.8745 -18.8744 -18.5452 -18.5451 -18.2712 -18.2712 -5.2669 -5.2669 -4.2947 -4.2938 -3.7035 -3.7011 -2.9837 -2.9803 -2.2984 -2.2936 -2.0033 -1.9999 -1.8729 -1.8645 -1.7588 -1.7329 -1.3617 -1.3521 -1.0996 -1.0925 -0.9949 -0.9867 -0.2189 -0.2132 0.1705 0.1898 0.4288 0.4330 0.5721 0.5800 0.6365 0.6483 1.0751 1.0894 1.6958 1.6991 12.6012 12.6014 13.2019 13.2023 13.6889 13.6889 14.9533 14.9545 15.0809 15.0832 k = 0.5958 0.3338-0.2813 ( 3506 PWs) bands (ev): -21.2412 -21.2411 -20.8950 -20.8949 -20.6406 -20.6406 -18.8822 -18.8821 -18.5372 -18.5371 -18.2723 -18.2723 -5.2690 -5.2689 -4.3006 -4.2996 -3.6943 -3.6919 -2.9722 -2.9688 -2.3233 -2.3188 -2.0015 -1.9980 -1.8746 -1.8657 -1.7715 -1.7464 -1.3398 -1.3314 -1.0879 -1.0795 -0.9844 -0.9760 -0.2413 -0.2354 0.1682 0.1879 0.4131 0.4163 0.5894 0.5987 0.6255 0.6355 1.0931 1.1077 1.6922 1.6959 12.6347 12.6349 13.2173 13.2178 13.5806 13.5808 14.9553 14.9565 15.1115 15.1139 k = 0.6038 0.3383-0.2691 ( 3505 PWs) bands (ev): -21.2451 -21.2450 -20.8909 -20.8907 -20.6397 -20.6397 -18.8899 -18.8898 -18.5291 -18.5290 -18.2734 -18.2734 -5.2719 -5.2718 -4.3063 -4.3052 -3.6848 -3.6823 -2.9611 -2.9577 -2.3470 -2.3428 -1.9995 -1.9959 -1.8770 -1.8676 -1.7843 -1.7600 -1.3179 -1.3106 -1.0789 -1.0689 -0.9701 -0.9617 -0.2645 -0.2585 0.1658 0.1859 0.3959 0.3986 0.5971 0.6139 0.6218 0.6321 1.1112 1.1262 1.6885 1.6925 12.6699 12.6702 13.2282 13.2290 13.4785 13.4791 14.9571 14.9584 15.1444 15.1470 k = 0.6118 0.3427-0.2568 ( 3498 PWs) bands (ev): -21.2493 -21.2492 -20.8864 -20.8863 -20.6388 -20.6388 -18.8975 -18.8974 -18.5209 -18.5207 -18.2746 -18.2746 -5.2759 -5.2758 -4.3117 -4.3104 -3.6749 -3.6724 -2.9506 -2.9474 -2.3690 -2.3651 -1.9975 -1.9937 -1.8801 -1.8701 -1.7968 -1.7733 -1.2966 -1.2899 -1.0721 -1.0606 -0.9523 -0.9440 -0.2884 -0.2822 0.1630 0.1835 0.3776 0.3804 0.5898 0.6080 0.6367 0.6491 1.1295 1.1449 1.6847 1.6891 12.7062 12.7065 13.2219 13.2232 13.3960 13.3970 14.9587 14.9600 15.1795 15.1822 k = 0.6197 0.3472-0.2446 ( 3498 PWs) bands (ev): -21.2538 -21.2537 -20.8817 -20.8816 -20.6379 -20.6379 -18.9051 -18.9050 -18.5126 -18.5125 -18.2758 -18.2758 -5.2810 -5.2809 -4.3165 -4.3151 -3.6649 -3.6624 -2.9413 -2.9383 -2.3888 -2.3853 -1.9958 -1.9917 -1.8839 -1.8735 -1.8085 -1.7860 -1.2762 -1.2698 -1.0670 -1.0539 -0.9314 -0.9232 -0.3127 -0.3064 0.1592 0.1802 0.3593 0.3622 0.5799 0.5976 0.6576 0.6702 1.1479 1.1636 1.6809 1.6856 12.7421 12.7425 13.1732 13.1746 13.3600 13.3611 14.9599 14.9612 15.2167 15.2195 k = 0.6277 0.3517-0.2323 ( 3500 PWs) bands (ev): -21.2587 -21.2585 -20.8768 -20.8766 -20.6369 -20.6369 -18.9125 -18.9124 -18.5043 -18.5042 -18.2770 -18.2770 -5.2874 -5.2873 -4.3207 -4.3192 -3.6548 -3.6523 -2.9336 -2.9309 -2.4060 -2.4029 -1.9944 -1.9899 -1.8885 -1.8778 -1.8190 -1.7976 -1.2573 -1.2507 -1.0626 -1.0482 -0.9082 -0.9002 -0.3372 -0.3308 0.1539 0.1751 0.3418 0.3448 0.5703 0.5878 0.6794 0.6923 1.1663 1.1823 1.6770 1.6821 12.7741 12.7745 13.0922 13.0934 13.3639 13.3647 14.9606 14.9620 15.2559 15.2589 k = 0.6277 0.3517-0.2323 ( 3500 PWs) bands (ev): -21.2587 -21.2585 -20.8768 -20.8766 -20.6369 -20.6369 -18.9125 -18.9124 -18.5043 -18.5042 -18.2770 -18.2770 -5.2874 -5.2873 -4.3207 -4.3192 -3.6548 -3.6523 -2.9336 -2.9309 -2.4060 -2.4029 -1.9944 -1.9899 -1.8885 -1.8778 -1.8190 -1.7976 -1.2573 -1.2507 -1.0626 -1.0482 -0.9082 -0.9002 -0.3372 -0.3308 0.1539 0.1751 0.3418 0.3448 0.5703 0.5878 0.6794 0.6923 1.1663 1.1823 1.6770 1.6821 12.7741 12.7745 13.0922 13.0934 13.3639 13.3647 14.9606 14.9620 15.2559 15.2589 k = 0.6233 0.3492-0.2176 ( 3500 PWs) bands (ev): -21.2682 -21.2680 -20.8646 -20.8645 -20.6362 -20.6362 -18.9261 -18.9260 -18.4930 -18.4929 -18.2776 -18.2776 -5.3017 -5.3016 -4.2986 -4.2970 -3.6522 -3.6497 -2.9434 -2.9410 -2.4067 -2.4037 -1.9905 -1.9844 -1.9056 -1.8951 -1.8084 -1.7899 -1.2583 -1.2515 -1.0373 -1.0220 -0.8987 -0.8910 -0.3581 -0.3518 0.1332 0.1542 0.3266 0.3295 0.5397 0.5563 0.7091 0.7226 1.1941 1.2105 1.6737 1.6794 12.7664 12.7668 13.0569 13.0580 13.3825 13.3831 14.9677 14.9690 15.2913 15.2944 k = 0.6189 0.3467-0.2028 ( 3506 PWs) bands (ev): -21.2781 -21.2780 -20.8520 -20.8519 -20.6355 -20.6355 -18.9398 -18.9397 -18.4815 -18.4814 -18.2782 -18.2782 -5.3181 -5.3179 -4.2748 -4.2731 -3.6503 -3.6479 -2.9550 -2.9529 -2.4058 -2.4030 -1.9968 -1.9906 -1.9171 -1.9076 -1.7895 -1.7745 -1.2601 -1.2530 -1.0117 -0.9957 -0.8890 -0.8818 -0.3791 -0.3728 0.1126 0.1333 0.3116 0.3144 0.5091 0.5252 0.7398 0.7537 1.2217 1.2387 1.6704 1.6768 12.7329 12.7333 13.0172 13.0180 13.4320 13.4325 14.9751 14.9765 15.3291 15.3322 k = 0.6145 0.3443-0.1880 ( 3508 PWs) bands (ev): -21.2883 -21.2882 -20.8391 -20.8389 -20.6348 -20.6347 -18.9533 -18.9532 -18.4700 -18.4699 -18.2788 -18.2788 -5.3361 -5.3360 -4.2498 -4.2479 -3.6492 -3.6469 -2.9684 -2.9665 -2.4035 -2.4007 -2.0097 -2.0044 -1.9265 -1.9171 -1.7641 -1.7521 -1.2623 -1.2550 -0.9863 -0.9696 -0.8793 -0.8725 -0.3999 -0.3937 0.0921 0.1123 0.2969 0.2996 0.4790 0.4945 0.7711 0.7854 1.2492 1.2667 1.6671 1.6741 12.6850 12.6853 12.9710 12.9716 13.5034 13.5039 14.9830 14.9844 15.3690 15.3722 k = 0.6101 0.3418-0.1733 ( 3509 PWs) bands (ev): -21.2987 -21.2986 -20.8260 -20.8258 -20.6340 -20.6339 -18.9668 -18.9667 -18.4585 -18.4584 -18.2793 -18.2793 -5.3555 -5.3553 -4.2237 -4.2217 -3.6489 -3.6466 -2.9834 -2.9818 -2.3999 -2.3970 -2.0252 -2.0209 -1.9360 -1.9256 -1.7346 -1.7249 -1.2646 -1.2572 -0.9613 -0.9442 -0.8695 -0.8632 -0.4204 -0.4144 0.0716 0.0912 0.2824 0.2851 0.4494 0.4645 0.8030 0.8175 1.2763 1.2943 1.6638 1.6715 12.6299 12.6301 12.9201 12.9206 13.5878 13.5883 14.9915 14.9929 15.4110 15.4142 k = 0.6057 0.3393-0.1585 ( 3511 PWs) bands (ev): -21.3091 -21.3090 -20.8128 -20.8126 -20.6332 -20.6331 -18.9800 -18.9799 -18.4471 -18.4470 -18.2799 -18.2799 -5.3758 -5.3756 -4.1969 -4.1948 -3.6492 -3.6470 -2.9999 -2.9984 -2.3951 -2.3921 -2.0412 -2.0376 -1.9458 -1.9343 -1.7029 -1.6949 -1.2670 -1.2595 -0.9370 -0.9194 -0.8596 -0.8537 -0.4406 -0.4347 0.0512 0.0702 0.2682 0.2709 0.4206 0.4352 0.8350 0.8498 1.3030 1.3215 1.6606 1.6689 12.5714 12.5716 12.8666 12.8670 13.6793 13.6798 15.0007 15.0020 15.4549 15.4582 k = 0.6013 0.3369-0.1437 ( 3511 PWs) bands (ev): -21.3195 -21.3194 -20.7996 -20.7994 -20.6324 -20.6323 -18.9930 -18.9929 -18.4358 -18.4357 -18.2804 -18.2804 -5.3969 -5.3967 -4.1697 -4.1675 -3.6503 -3.6481 -3.0177 -3.0164 -2.3893 -2.3862 -2.0565 -2.0534 -1.9557 -1.9432 -1.6701 -1.6633 -1.2693 -1.2618 -0.9136 -0.8956 -0.8496 -0.8441 -0.4604 -0.4546 0.0308 0.0491 0.2543 0.2569 0.3927 0.4068 0.8672 0.8822 1.3291 1.3482 1.6574 1.6665 12.5117 12.5119 12.8119 12.8123 13.7746 13.7752 15.0105 15.0119 15.5007 15.5041 k = 0.5969 0.3344-0.1290 ( 3513 PWs) bands (ev): -21.3298 -21.3297 -20.7865 -20.7863 -20.6315 -20.6315 -19.0058 -19.0057 -18.4247 -18.4246 -18.2809 -18.2809 -5.4183 -5.4182 -4.1422 -4.1400 -3.6519 -3.6498 -3.0366 -3.0354 -2.3827 -2.3793 -2.0705 -2.0677 -1.9655 -1.9522 -1.6369 -1.6311 -1.2715 -1.2640 -0.8912 -0.8728 -0.8396 -0.8343 -0.4795 -0.4739 0.0105 0.0280 0.2407 0.2433 0.3657 0.3792 0.8994 0.9144 1.3546 1.3742 1.6544 1.6642 12.4519 12.4521 12.7570 12.7573 13.8717 13.8724 15.0213 15.0226 15.5483 15.5518 k = 0.5925 0.3319-0.1142 ( 3516 PWs) bands (ev): -21.3399 -21.3398 -20.7736 -20.7734 -20.6307 -20.6307 -19.0182 -19.0181 -18.4138 -18.4137 -18.2814 -18.2814 -5.4400 -5.4398 -4.1148 -4.1125 -3.6542 -3.6521 -3.0564 -3.0554 -2.3756 -2.3719 -2.0829 -2.0803 -1.9751 -1.9613 -1.6039 -1.5988 -1.2736 -1.2661 -0.8700 -0.8511 -0.8296 -0.8242 -0.4979 -0.4924 -0.0098 0.0069 0.2274 0.2299 0.3397 0.3526 0.9313 0.9465 1.3794 1.3995 1.6516 1.6621 12.3927 12.3929 12.7023 12.7027 13.9695 13.9702 15.0330 15.0343 15.5976 15.6011 k = 0.5881 0.3295-0.0994 ( 3518 PWs) bands (ev): -21.3499 -21.3497 -20.7609 -20.7607 -20.6299 -20.6299 -19.0303 -19.0302 -18.4031 -18.4030 -18.2819 -18.2819 -5.4617 -5.4615 -4.0874 -4.0851 -3.6569 -3.6550 -3.0771 -3.0761 -2.3682 -2.3640 -2.0936 -2.0910 -1.9843 -1.9702 -1.5716 -1.5670 -1.2755 -1.2680 -0.8499 -0.8308 -0.8195 -0.8138 -0.5154 -0.5101 -0.0301 -0.0143 0.2145 0.2170 0.3147 0.3270 0.9629 0.9781 1.4033 1.4240 1.6490 1.6603 12.3346 12.3348 12.6485 12.6488 14.0668 14.0676 15.0458 15.0471 15.6485 15.6521 k = 0.5837 0.3270-0.0847 ( 3516 PWs) bands (ev): -21.3595 -21.3594 -20.7485 -20.7484 -20.6291 -20.6290 -19.0419 -19.0419 -18.3928 -18.3927 -18.2823 -18.2823 -5.4832 -5.4830 -4.0604 -4.0580 -3.6601 -3.6583 -3.0983 -3.0974 -2.3606 -2.3559 -2.1026 -2.0997 -1.9931 -1.9789 -1.5401 -1.5359 -1.2772 -1.2697 -0.8311 -0.8122 -0.8090 -0.8032 -0.5319 -0.5267 -0.0503 -0.0355 0.2019 0.2044 0.2909 0.3025 0.9939 1.0091 1.4265 1.4476 1.6466 1.6586 12.2779 12.2781 12.5957 12.5960 14.1630 14.1638 15.0600 15.0612 15.7010 15.7047 k = 0.5793 0.3245-0.0699 ( 3520 PWs) bands (ev): -21.3688 -21.3687 -20.7365 -20.7363 -20.6282 -20.6282 -19.0532 -19.0531 -18.3828 -18.3827 -18.2828 -18.2828 -5.5043 -5.5042 -4.0337 -4.0314 -3.6638 -3.6620 -3.1199 -3.1191 -2.3531 -2.3478 -2.1097 -2.1064 -2.0015 -1.9872 -1.5098 -1.5058 -1.2787 -1.2712 -0.8135 -0.8000 -0.7935 -0.7924 -0.5471 -0.5420 -0.0704 -0.0566 0.1898 0.1921 0.2683 0.2792 1.0242 1.0393 1.4487 1.4703 1.6444 1.6573 12.2230 12.2231 12.5443 12.5446 14.2573 14.2582 15.0757 15.0769 15.7549 15.7586 k = 0.5749 0.3221-0.0551 ( 3518 PWs) bands (ev): -21.3778 -21.3777 -20.7248 -20.7247 -20.6274 -20.6274 -19.0640 -19.0639 -18.3731 -18.3730 -18.2832 -18.2832 -5.5250 -5.5248 -4.0076 -4.0052 -3.6677 -3.6660 -3.1418 -3.1411 -2.3459 -2.3400 -2.1150 -2.1112 -2.0095 -1.9952 -1.4810 -1.4769 -1.2799 -1.2723 -0.7972 -0.7899 -0.7818 -0.7773 -0.5608 -0.5560 -0.0904 -0.0777 0.1780 0.1803 0.2468 0.2570 1.0537 1.0687 1.4699 1.4920 1.6426 1.6562 12.1699 12.1700 12.4946 12.4948 14.3489 14.3499 15.0933 15.0945 15.8102 15.8139 k = 0.5705 0.3196-0.0404 ( 3516 PWs) bands (ev): -21.3864 -21.3863 -20.7136 -20.7135 -20.6266 -20.6266 -19.0743 -19.0742 -18.3638 -18.3638 -18.2836 -18.2836 -5.5450 -5.5449 -3.9820 -3.9796 -3.6719 -3.6703 -3.1638 -3.1632 -2.3391 -2.3327 -2.1184 -2.1140 -2.0169 -2.0028 -1.4538 -1.4495 -1.2809 -1.2732 -0.7825 -0.7798 -0.7714 -0.7625 -0.5729 -0.5682 -0.1103 -0.0988 0.1668 0.1690 0.2266 0.2361 1.0821 1.0969 1.4901 1.5126 1.6412 1.6555 12.1190 12.1191 12.4466 12.4468 14.4370 14.4382 15.1131 15.1143 15.8667 15.8705 k = 0.5661 0.3171-0.0256 ( 3513 PWs) bands (ev): -21.3947 -21.3946 -20.7029 -20.7028 -20.6259 -20.6258 -19.0841 -19.0841 -18.3550 -18.3549 -18.2840 -18.2840 -5.5643 -5.5642 -3.9570 -3.9547 -3.6763 -3.6748 -3.1857 -3.1852 -2.3329 -2.3260 -2.1200 -2.1151 -2.0238 -2.0100 -1.4284 -1.4238 -1.2816 -1.2738 -0.7719 -0.7683 -0.7606 -0.7488 -0.5830 -0.5785 -0.1300 -0.1196 0.1559 0.1581 0.2076 0.2163 1.1094 1.1239 1.5093 1.5320 1.6402 1.6552 12.0703 12.0704 12.4006 12.4008 14.5206 14.5220 15.1355 15.1368 15.9242 15.9281 k = 0.5617 0.3147-0.0108 ( 3513 PWs) bands (ev): -21.4025 -21.4024 -20.6927 -20.6926 -20.6251 -20.6251 -19.0934 -19.0934 -18.3466 -18.3465 -18.2843 -18.2843 -5.5828 -5.5827 -3.9328 -3.9305 -3.6808 -3.6794 -3.2075 -3.2071 -2.3273 -2.3200 -2.1200 -2.1146 -2.0302 -2.0167 -1.4049 -1.3998 -1.2820 -1.2741 -0.7638 -0.7596 -0.7475 -0.7361 -0.5910 -0.5867 -0.1495 -0.1403 0.1456 0.1477 0.1899 0.1978 1.1353 1.1494 1.5273 1.5503 1.6396 1.6553 12.0241 12.0242 12.3567 12.3570 14.5988 14.6004 15.1610 15.1624 15.9827 15.9866 k = 0.5573 0.3122 0.0039 ( 3520 PWs) bands (ev): -21.4098 -21.4097 -20.6831 -20.6830 -20.6244 -20.6244 -19.1022 -19.1021 -18.3387 -18.3386 -18.2846 -18.2846 -5.6003 -5.6002 -3.9094 -3.9071 -3.6853 -3.6840 -3.2291 -3.2287 -2.3225 -2.3149 -2.1184 -2.1126 -2.0360 -2.0231 -1.3833 -1.3777 -1.2821 -1.2741 -0.7576 -0.7541 -0.7331 -0.7239 -0.5966 -0.5926 -0.1687 -0.1607 0.1358 0.1378 0.1734 0.1806 1.1598 1.1735 1.5442 1.5673 1.6396 1.6558 11.9805 11.9806 12.3152 12.3154 14.6705 14.6723 15.1901 15.1915 16.0420 16.0460 k = 0.5528 0.3097 0.0187 ( 3516 PWs) bands (ev): -21.4167 -21.4166 -20.6740 -20.6739 -20.6237 -20.6237 -19.1104 -19.1103 -18.3313 -18.3312 -18.2850 -18.2850 -5.6168 -5.6168 -3.8868 -3.8846 -3.6898 -3.6887 -3.2502 -3.2498 -2.3183 -2.3106 -2.1155 -2.1094 -2.0414 -2.0290 -1.3637 -1.3576 -1.2819 -1.2738 -0.7536 -0.7511 -0.7182 -0.7115 -0.6000 -0.5961 -0.1876 -0.1808 0.1266 0.1285 0.1581 0.1646 1.1827 1.1958 1.5600 1.5829 1.6402 1.6566 11.9396 11.9397 12.2762 12.2764 14.7348 14.7368 15.2228 15.2244 16.1019 16.1058 k = 0.5484 0.3073 0.0335 ( 3507 PWs) bands (ev): -21.4230 -21.4230 -20.6656 -20.6655 -20.6231 -20.6230 -19.1180 -19.1179 -18.3243 -18.3243 -18.2852 -18.2852 -5.6323 -5.6322 -3.8651 -3.8630 -3.6942 -3.6932 -3.2707 -3.2704 -2.3147 -2.3070 -2.1115 -2.1053 -2.0462 -2.0344 -1.3462 -1.3396 -1.2813 -1.2732 -0.7519 -0.7501 -0.7030 -0.6989 -0.6012 -0.5976 -0.2060 -0.2004 0.1180 0.1197 0.1440 0.1499 1.2040 1.2164 1.5745 1.5970 1.6414 1.6579 11.9015 11.9016 12.2397 12.2399 14.7912 14.7933 15.2592 15.2609 16.1620 16.1660 k = 0.5440 0.3048 0.0482 ( 3507 PWs) bands (ev): -21.4289 -21.4289 -20.6578 -20.6577 -20.6225 -20.6224 -19.1250 -19.1249 -18.3180 -18.3179 -18.2855 -18.2855 -5.6466 -5.6465 -3.8444 -3.8423 -3.6985 -3.6975 -3.2907 -3.2903 -2.3117 -2.3042 -2.1067 -2.1006 -2.0505 -2.0395 -1.3307 -1.3236 -1.2805 -1.2723 -0.7523 -0.7508 -0.6878 -0.6858 -0.6007 -0.5973 -0.2240 -0.2195 0.1100 0.1116 0.1312 0.1364 1.2235 1.2351 1.5877 1.6094 1.6434 1.6595 11.8664 11.8664 12.2060 12.2061 14.8394 14.8416 15.2984 15.3001 16.2221 16.2262 k = 0.5396 0.3023 0.0630 ( 3501 PWs) bands (ev): -21.4343 -21.4342 -20.6506 -20.6506 -20.6219 -20.6219 -19.1313 -19.1313 -18.3121 -18.3121 -18.2857 -18.2857 -5.6597 -5.6596 -3.8247 -3.8228 -3.7025 -3.7017 -3.3098 -3.3095 -2.3092 -2.3020 -2.1014 -2.0955 -2.0543 -2.0441 -1.3172 -1.3098 -1.2795 -1.2712 -0.7542 -0.7527 -0.6728 -0.6723 -0.5989 -0.5958 -0.2414 -0.2379 0.1026 0.1040 0.1197 0.1243 1.2411 1.2520 1.5997 1.6199 1.6464 1.6614 11.8342 11.8343 12.1751 12.1752 14.8800 14.8822 15.3391 15.3408 16.2818 16.2859 k = 0.5352 0.2999 0.0778 ( 3501 PWs) bands (ev): -21.4391 -21.4391 -20.6442 -20.6441 -20.6214 -20.6214 -19.1371 -19.1370 -18.3069 -18.3068 -18.2859 -18.2859 -5.6715 -5.6715 -3.8062 -3.8044 -3.7062 -3.7055 -3.3279 -3.3276 -2.3070 -2.3003 -2.0959 -2.0903 -2.0576 -2.0483 -1.3056 -1.2979 -1.2782 -1.2698 -0.7571 -0.7555 -0.6590 -0.6577 -0.5962 -0.5935 -0.2580 -0.2556 0.0959 0.0972 0.1094 0.1134 1.2569 1.2668 1.6104 1.6282 1.6506 1.6636 11.8053 11.8053 12.1471 12.1473 14.9137 14.9158 15.3796 15.3813 16.3407 16.3447 k = 0.5308 0.2974 0.0925 ( 3497 PWs) bands (ev): -21.4434 -21.4433 -20.6385 -20.6384 -20.6209 -20.6209 -19.1422 -19.1421 -18.3022 -18.3022 -18.2861 -18.2861 -5.6821 -5.6820 -3.7891 -3.7874 -3.7096 -3.7090 -3.3449 -3.3446 -2.3052 -2.2990 -2.0904 -2.0852 -2.0604 -2.0521 -1.2958 -1.2879 -1.2767 -1.2684 -0.7604 -0.7588 -0.6457 -0.6432 -0.5930 -0.5908 -0.2739 -0.2723 0.0898 0.0909 0.1004 0.1039 1.2709 1.2797 1.6196 1.6344 1.6559 1.6661 11.7795 11.7795 12.1222 12.1224 14.9414 14.9434 15.4182 15.4198 16.3980 16.4020 k = 0.5264 0.2949 0.1073 ( 3499 PWs) bands (ev): -21.4471 -21.4471 -20.6335 -20.6334 -20.6205 -20.6205 -19.1466 -19.1466 -18.2981 -18.2981 -18.2863 -18.2863 -5.6913 -5.6913 -3.7734 -3.7720 -3.7125 -3.7120 -3.3606 -3.3602 -2.3036 -2.2982 -2.0851 -2.0805 -2.0627 -2.0554 -1.2876 -1.2798 -1.2750 -1.2668 -0.7637 -0.7623 -0.6329 -0.6296 -0.5896 -0.5878 -0.2887 -0.2879 0.0845 0.0854 0.0926 0.0956 1.2829 1.2907 1.6275 1.6389 1.6615 1.6687 11.7570 11.7570 12.1005 12.1006 14.9640 14.9658 15.4534 15.4547 16.4529 16.4568 k = 0.5220 0.2925 0.1221 ( 3503 PWs) bands (ev): -21.4503 -21.4503 -20.6292 -20.6292 -20.6201 -20.6201 -19.1504 -19.1504 -18.2947 -18.2946 -18.2864 -18.2864 -5.6992 -5.6991 -3.7595 -3.7583 -3.7148 -3.7145 -3.3747 -3.3743 -2.3023 -2.2976 -2.0803 -2.0763 -2.0646 -2.0584 -1.2811 -1.2738 -1.2729 -1.2653 -0.7669 -0.7656 -0.6211 -0.6173 -0.5860 -0.5848 -0.3024 -0.3020 0.0799 0.0805 0.0862 0.0887 1.2932 1.2997 1.6340 1.6424 1.6669 1.6713 11.7378 11.7379 12.0819 12.0820 14.9822 14.9838 15.4838 15.4850 16.5044 16.5082 k = 0.5176 0.2900 0.1368 ( 3507 PWs) bands (ev): -21.4529 -21.4529 -20.6258 -20.6257 -20.6198 -20.6198 -19.1535 -19.1535 -18.2918 -18.2918 -18.2865 -18.2865 -5.7056 -5.7056 -3.7478 -3.7468 -3.7165 -3.7163 -3.3869 -3.3865 -2.3011 -2.2973 -2.0760 -2.0727 -2.0660 -2.0609 -1.2759 -1.2718 -1.2684 -1.2639 -0.7696 -0.7685 -0.6108 -0.6069 -0.5824 -0.5816 -0.3147 -0.3143 0.0759 0.0763 0.0811 0.0831 1.3016 1.3069 1.6392 1.6452 1.6715 1.6738 11.7221 11.7221 12.0666 12.0667 14.9967 14.9979 15.5090 15.5099 16.5510 16.5546 k = 0.5132 0.2875 0.1516 ( 3505 PWs) bands (ev): -21.4549 -21.4549 -20.6231 -20.6231 -20.6196 -20.6196 -19.1559 -19.1559 -18.2896 -18.2896 -18.2866 -18.2866 -5.7107 -5.7107 -3.7386 -3.7381 -3.7173 -3.7172 -3.3968 -3.3965 -2.3001 -2.2972 -2.0725 -2.0700 -2.0669 -2.0630 -1.2721 -1.2703 -1.2650 -1.2626 -0.7719 -0.7710 -0.6025 -0.5990 -0.5787 -0.5783 -0.3250 -0.3245 0.0727 0.0729 0.0773 0.0788 1.3082 1.3122 1.6431 1.6473 1.6751 1.6761 11.7098 11.7098 12.0547 12.0548 15.0076 15.0086 15.5284 15.5291 16.5909 16.5941 k = 0.5088 0.2851 0.1664 ( 3505 PWs) bands (ev): -21.4564 -21.4564 -20.6212 -20.6212 -20.6193 -20.6193 -19.1577 -19.1576 -18.2880 -18.2880 -18.2866 -18.2866 -5.7143 -5.7143 -3.7328 -3.7326 -3.7170 -3.7167 -3.4042 -3.4040 -2.2993 -2.2973 -2.0698 -2.0681 -2.0672 -2.0647 -1.2696 -1.2690 -1.2627 -1.2615 -0.7735 -0.7729 -0.5965 -0.5940 -0.5752 -0.5750 -0.3327 -0.3322 0.0703 0.0703 0.0748 0.0758 1.3131 1.3158 1.6460 1.6487 1.6777 1.6780 11.7010 11.7010 12.0462 12.0462 15.0153 15.0160 15.5422 15.5426 16.6221 16.6245 k = 0.5044 0.2826 0.1812 ( 3502 PWs) bands (ev): -21.4573 -21.4573 -20.6203 -20.6203 -20.6189 -20.6189 -19.1587 -19.1587 -18.2872 -18.2871 -18.2866 -18.2866 -5.7164 -5.7164 -3.7300 -3.7300 -3.7158 -3.7156 -3.4088 -3.4087 -2.2986 -2.2976 -2.0680 -2.0676 -2.0668 -2.0659 -1.2682 -1.2681 -1.2614 -1.2608 -0.7744 -0.7741 -0.5929 -0.5916 -0.5725 -0.5725 -0.3375 -0.3372 0.0688 0.0688 0.0735 0.0739 1.3163 1.3177 1.6480 1.6493 1.6792 1.6792 11.6957 11.6957 12.0410 12.0410 15.0200 15.0203 15.5504 15.5506 16.6421 16.6429 k = 0.5000 0.2801 0.1959 ( 3498 PWs) bands (ev): -21.4575 -21.4575 -20.6201 -20.6201 -20.6187 -20.6187 -19.1590 -19.1590 -18.2869 -18.2869 -18.2865 -18.2865 -5.7172 -5.7172 -3.7293 -3.7293 -3.7151 -3.7151 -3.4103 -3.4103 -2.2980 -2.2980 -2.0674 -2.0674 -2.0664 -2.0664 -1.2678 -1.2678 -1.2608 -1.2608 -0.7746 -0.7746 -0.5913 -0.5913 -0.5715 -0.5715 -0.3390 -0.3390 0.0683 0.0683 0.0732 0.0732 1.3178 1.3178 1.6491 1.6491 1.6797 1.6797 11.6939 11.6939 12.0393 12.0393 15.0216 15.0216 15.5532 15.5532 16.6487 16.6487 k = 0.5000-0.3062-0.2141 ( 3492 PWs) bands (ev): -21.2317 -21.2317 -20.9732 -20.9732 -20.6261 -20.6261 -18.7876 -18.7876 -18.5183 -18.5183 -18.2921 -18.2921 -5.3780 -5.3780 -4.8017 -4.8017 -3.5382 -3.5382 -2.7066 -2.7066 -2.6041 -2.6041 -2.3003 -2.3003 -1.9137 -1.9137 -1.4845 -1.4845 -1.4063 -1.4063 -0.8531 -0.8531 -0.5869 -0.5869 -0.5392 -0.5392 -0.1091 -0.1091 0.7595 0.7595 0.8167 0.8167 1.0447 1.0447 1.1430 1.1430 1.6528 1.6528 11.9484 11.9484 12.0301 12.0301 14.6386 14.6386 14.7901 14.7901 16.4102 16.4102 k = 0.5095-0.2958-0.2069 ( 3502 PWs) bands (ev): -21.2317 -21.2317 -20.9731 -20.9731 -20.6261 -20.6261 -18.7879 -18.7879 -18.5182 -18.5182 -18.2921 -18.2921 -5.3776 -5.3776 -4.8009 -4.8008 -3.5384 -3.5383 -2.7071 -2.7062 -2.6046 -2.6036 -2.3000 -2.2998 -1.9144 -1.9134 -1.4842 -1.4832 -1.4076 -1.4071 -0.8552 -0.8532 -0.5881 -0.5846 -0.5404 -0.5382 -0.1090 -0.1076 0.7574 0.7596 0.8149 0.8174 1.0421 1.0452 1.1415 1.1445 1.6527 1.6530 11.9501 11.9501 12.0319 12.0319 14.6374 14.6378 14.7902 14.7905 16.3925 16.3931 k = 0.5189-0.2854-0.1996 ( 3509 PWs) bands (ev): -21.2318 -21.2318 -20.9726 -20.9726 -20.6262 -20.6262 -18.7888 -18.7888 -18.5182 -18.5181 -18.2920 -18.2920 -5.3765 -5.3765 -4.7984 -4.7982 -3.5389 -3.5386 -2.7077 -2.7058 -2.6053 -2.6033 -2.2986 -2.2982 -1.9154 -1.9134 -1.4822 -1.4802 -1.4110 -1.4100 -0.8593 -0.8555 -0.5881 -0.5811 -0.5417 -0.5372 -0.1071 -0.1043 0.7532 0.7575 0.8121 0.8170 1.0375 1.0434 1.1403 1.1461 1.6527 1.6533 11.9552 11.9553 12.0371 12.0372 14.6341 14.6350 14.7909 14.7915 16.3466 16.3476 k = 0.5284-0.2750-0.1924 ( 3517 PWs) bands (ev): -21.2318 -21.2318 -20.9718 -20.9718 -20.6263 -20.6263 -18.7903 -18.7903 -18.5180 -18.5180 -18.2919 -18.2919 -5.3747 -5.3747 -4.7942 -4.7940 -3.5396 -3.5393 -2.7083 -2.7055 -2.6059 -2.6029 -2.2964 -2.2958 -1.9166 -1.9137 -1.4784 -1.4756 -1.4165 -1.4150 -0.8654 -0.8598 -0.5875 -0.5772 -0.5428 -0.5359 -0.1035 -0.0993 0.7470 0.7532 0.8083 0.8154 1.0311 1.0394 1.1394 1.1477 1.6528 1.6537 11.9638 11.9639 12.0459 12.0460 14.6287 14.6299 14.7922 14.7931 16.2840 16.2851 k = 0.5378-0.2647-0.1851 ( 3509 PWs) bands (ev): -21.2319 -21.2319 -20.9706 -20.9706 -20.6265 -20.6265 -18.7923 -18.7923 -18.5178 -18.5177 -18.2917 -18.2917 -5.3721 -5.3721 -4.7883 -4.7880 -3.5407 -3.5402 -2.7092 -2.7055 -2.6063 -2.6025 -2.2932 -2.2924 -1.9180 -1.9142 -1.4731 -1.4694 -1.4239 -1.4218 -0.8731 -0.8661 -0.5870 -0.5739 -0.5427 -0.5337 -0.0982 -0.0927 0.7389 0.7468 0.8036 0.8126 1.0228 1.0333 1.1388 1.1491 1.6531 1.6542 11.9758 11.9760 12.0582 12.0583 14.6207 14.6223 14.7942 14.7953 16.2126 16.2138 k = 0.5473-0.2543-0.1778 ( 3507 PWs) bands (ev): -21.2320 -21.2320 -20.9691 -20.9691 -20.6267 -20.6267 -18.7949 -18.7948 -18.5175 -18.5175 -18.2915 -18.2915 -5.3689 -5.3688 -4.7807 -4.7804 -3.5420 -3.5414 -2.7104 -2.7061 -2.6064 -2.6017 -2.2891 -2.2881 -1.9196 -1.9149 -1.4662 -1.4618 -1.4333 -1.4304 -0.8822 -0.8741 -0.5876 -0.5730 -0.5401 -0.5299 -0.0912 -0.0846 0.7291 0.7384 0.7980 0.8087 1.0130 1.0251 1.1384 1.1503 1.6534 1.6547 11.9912 11.9914 12.0739 12.0741 14.6099 14.6118 14.7967 14.7981 16.1372 16.1385 k = 0.5568-0.2439-0.1706 ( 3504 PWs) bands (ev): -21.2321 -21.2321 -20.9674 -20.9673 -20.6269 -20.6269 -18.7980 -18.7979 -18.5172 -18.5171 -18.2912 -18.2912 -5.3650 -5.3649 -4.7716 -4.7711 -3.5435 -3.5428 -2.7122 -2.7073 -2.6058 -2.6004 -2.2841 -2.2830 -1.9212 -1.9156 -1.4581 -1.4538 -1.4444 -1.4395 -0.8926 -0.8835 -0.5897 -0.5752 -0.5345 -0.5243 -0.0827 -0.0750 0.7174 0.7279 0.7917 0.8038 1.0017 1.0150 1.1380 1.1512 1.6538 1.6554 12.0099 12.0102 12.0929 12.0932 14.5958 14.5979 14.8000 14.8015 16.0607 16.0620 k = 0.5662-0.2335-0.1633 ( 3498 PWs) bands (ev): -21.2323 -21.2323 -20.9653 -20.9652 -20.6272 -20.6271 -18.8015 -18.8015 -18.5168 -18.5168 -18.2909 -18.2909 -5.3605 -5.3605 -4.7608 -4.7603 -3.5454 -3.5446 -2.7147 -2.7094 -2.6044 -2.5985 -2.2783 -2.2771 -1.9227 -1.9163 -1.4579 -1.4576 -1.4464 -1.4385 -0.9040 -0.8942 -0.5938 -0.5800 -0.5267 -0.5169 -0.0728 -0.0641 0.7041 0.7155 0.7846 0.7979 0.9889 1.0031 1.1378 1.1519 1.6544 1.6562 12.0319 12.0322 12.1153 12.1156 14.5777 14.5801 14.8039 14.8056 15.9848 15.9863 k = 0.5757-0.2232-0.1561 ( 3496 PWs) bands (ev): -21.2325 -21.2325 -20.9629 -20.9628 -20.6275 -20.6274 -18.8056 -18.8055 -18.5164 -18.5164 -18.2905 -18.2905 -5.3555 -5.3555 -4.7485 -4.7479 -3.5476 -3.5467 -2.7180 -2.7125 -2.6020 -2.5958 -2.2716 -2.2703 -1.9241 -1.9169 -1.4722 -1.4704 -1.4354 -1.4274 -0.9162 -0.9059 -0.5996 -0.5868 -0.5175 -0.5080 -0.0615 -0.0520 0.6891 0.7013 0.7768 0.7911 0.9748 0.9897 1.1376 1.1523 1.6550 1.6570 12.0570 12.0574 12.1409 12.1412 14.5552 14.5577 14.8085 14.8103 15.9111 15.9127 k = 0.5851-0.2128-0.1488 ( 3496 PWs) bands (ev): -21.2328 -21.2327 -20.9602 -20.9601 -20.6278 -20.6278 -18.8100 -18.8099 -18.5160 -18.5159 -18.2901 -18.2901 -5.3501 -5.3500 -4.7347 -4.7340 -3.5501 -3.5491 -2.7222 -2.7168 -2.5985 -2.5923 -2.2641 -2.2628 -1.9253 -1.9173 -1.4883 -1.4858 -1.4226 -1.4141 -0.9293 -0.9186 -0.6071 -0.5950 -0.5074 -0.4982 -0.0490 -0.0387 0.6726 0.6854 0.7685 0.7836 0.9594 0.9747 1.1373 1.1526 1.6557 1.6580 12.0853 12.0857 12.1696 12.1700 14.5276 14.5301 14.8137 14.8157 15.8405 15.8422 k = 0.5946-0.2024-0.1416 ( 3497 PWs) bands (ev): -21.2331 -21.2331 -20.9572 -20.9572 -20.6282 -20.6282 -18.8148 -18.8147 -18.5156 -18.5155 -18.2896 -18.2896 -5.3443 -5.3442 -4.7194 -4.7187 -3.5529 -3.5518 -2.7274 -2.7222 -2.5940 -2.5879 -2.2558 -2.2544 -1.9260 -1.9173 -1.5057 -1.5028 -1.4085 -1.3993 -0.9430 -0.9321 -0.6160 -0.6045 -0.4969 -0.4878 -0.0353 -0.0244 0.6547 0.6679 0.7597 0.7755 0.9429 0.9584 1.1370 1.1526 1.6565 1.6590 12.1166 12.1170 12.2014 12.2018 14.4943 14.4968 14.8197 14.8217 15.7740 15.7759 k = 0.6041-0.1920-0.1343 ( 3494 PWs) bands (ev): -21.2335 -21.2334 -20.9540 -20.9539 -20.6286 -20.6286 -18.8200 -18.8199 -18.5151 -18.5150 -18.2891 -18.2891 -5.3382 -5.3381 -4.7028 -4.7020 -3.5560 -3.5548 -2.7335 -2.7286 -2.5885 -2.5826 -2.2465 -2.2451 -1.9264 -1.9169 -1.5244 -1.5212 -1.3931 -1.3834 -0.9573 -0.9463 -0.6263 -0.6153 -0.4862 -0.4770 -0.0207 -0.0092 0.6355 0.6489 0.7507 0.7670 0.9253 0.9409 1.1368 1.1526 1.6573 1.6600 12.1508 12.1512 12.2361 12.2365 14.4549 14.4573 14.8263 14.8283 15.7121 15.7142 k = 0.6135-0.1817-0.1270 ( 3500 PWs) bands (ev): -21.2340 -21.2339 -20.9505 -20.9504 -20.6290 -20.6290 -18.8254 -18.8253 -18.5146 -18.5146 -18.2885 -18.2885 -5.3319 -5.3318 -4.6848 -4.6839 -3.5595 -3.5582 -2.7405 -2.7362 -2.5821 -2.5766 -2.2363 -2.2350 -1.9261 -1.9159 -1.5442 -1.5407 -1.3766 -1.3663 -0.9722 -0.9612 -0.6379 -0.6273 -0.4753 -0.4662 -0.0052 0.0068 0.6149 0.6285 0.7414 0.7583 0.9067 0.9223 1.1366 1.1525 1.6582 1.6611 12.1877 12.1882 12.2736 12.2740 14.4090 14.4113 14.8334 14.8355 15.6554 15.6577 k = 0.6230-0.1713-0.1198 ( 3500 PWs) bands (ev): -21.2346 -21.2345 -20.9467 -20.9467 -20.6295 -20.6295 -18.8311 -18.8310 -18.5142 -18.5141 -18.2880 -18.2879 -5.3254 -5.3253 -4.6656 -4.6646 -3.5633 -3.5619 -2.7484 -2.7446 -2.5749 -2.5699 -2.2251 -2.2239 -1.9253 -1.9144 -1.5650 -1.5613 -1.3590 -1.3482 -0.9876 -0.9767 -0.6507 -0.6403 -0.4645 -0.4554 0.0110 0.0235 0.5933 0.6069 0.7322 0.7494 0.8871 0.9026 1.1364 1.1524 1.6592 1.6623 12.2273 12.2279 12.3138 12.3143 14.3565 14.3587 14.8411 14.8432 15.6041 15.6066 k = 0.6324-0.1609-0.1125 ( 3502 PWs) bands (ev): -21.2352 -21.2351 -20.9427 -20.9427 -20.6300 -20.6299 -18.8370 -18.8369 -18.5137 -18.5136 -18.2873 -18.2873 -5.3190 -5.3189 -4.6452 -4.6442 -3.5675 -3.5660 -2.7571 -2.7539 -2.5669 -2.5625 -2.2129 -2.2118 -1.9237 -1.9121 -1.5867 -1.5828 -1.3405 -1.3292 -1.0035 -0.9928 -0.6646 -0.6545 -0.4538 -0.4448 0.0278 0.0406 0.5707 0.5841 0.7231 0.7406 0.8668 0.8820 1.1364 1.1523 1.6603 1.6635 12.2694 12.2700 12.3565 12.3571 14.2976 14.2995 14.8493 14.8514 15.5581 15.5608 k = 0.6419-0.1505-0.1053 ( 3504 PWs) bands (ev): -21.2360 -21.2359 -20.9385 -20.9385 -20.6305 -20.6305 -18.8430 -18.8430 -18.5132 -18.5131 -18.2867 -18.2867 -5.3127 -5.3126 -4.6237 -4.6226 -3.5720 -3.5704 -2.7666 -2.7640 -2.5584 -2.5545 -2.1996 -2.1987 -1.9214 -1.9091 -1.6091 -1.6050 -1.3211 -1.3094 -1.0199 -1.0094 -0.6796 -0.6696 -0.4434 -0.4344 0.0450 0.0582 0.5472 0.5604 0.7143 0.7320 0.8458 0.8607 1.1365 1.1524 1.6614 1.6648 12.3137 12.3143 12.4018 12.4024 14.2325 14.2343 14.8579 14.8599 15.5173 15.5201 k = 0.6514-0.1402-0.0980 ( 3501 PWs) bands (ev): -21.2369 -21.2368 -20.9341 -20.9341 -20.6310 -20.6310 -18.8492 -18.8491 -18.5127 -18.5126 -18.2860 -18.2860 -5.3066 -5.3065 -4.6012 -4.6001 -3.5769 -3.5752 -2.7768 -2.7749 -2.5492 -2.5460 -2.1852 -2.1846 -1.9183 -1.9053 -1.6321 -1.6279 -1.3010 -1.2889 -1.0367 -1.0266 -0.6955 -0.6858 -0.4332 -0.4244 0.0624 0.0760 0.5231 0.5360 0.7059 0.7239 0.8242 0.8387 1.1368 1.1527 1.6626 1.6661 12.3601 12.3608 12.4493 12.4500 14.1618 14.1635 14.8668 14.8688 15.4811 15.4841 k = 0.6608-0.1298-0.0908 ( 3498 PWs) bands (ev): -21.2380 -21.2379 -20.9296 -20.9295 -20.6315 -20.6315 -18.8554 -18.8553 -18.5122 -18.5121 -18.2852 -18.2852 -5.3008 -5.3007 -4.5779 -4.5767 -3.5822 -3.5804 -2.7878 -2.7865 -2.5395 -2.5369 -2.1697 -2.1693 -1.9144 -1.9007 -1.6557 -1.6513 -1.2803 -1.2678 -1.0541 -1.0443 -0.7124 -0.7029 -0.4233 -0.4147 0.0799 0.0938 0.4985 0.5110 0.6979 0.7162 0.8022 0.8161 1.1374 1.1533 1.6638 1.6675 12.4082 12.4090 12.4991 12.4998 14.0863 14.0878 14.8759 14.8778 15.4492 15.4523 k = 0.6703-0.1194-0.0835 ( 3499 PWs) bands (ev): -21.2391 -21.2391 -20.9248 -20.9247 -20.6321 -20.6320 -18.8617 -18.8616 -18.5116 -18.5115 -18.2845 -18.2845 -5.2955 -5.2954 -4.5537 -4.5525 -3.5878 -3.5860 -2.7995 -2.7987 -2.5292 -2.5272 -2.1531 -2.1529 -1.9097 -1.8953 -1.6796 -1.6751 -1.2590 -1.2462 -1.0718 -1.0625 -0.7302 -0.7208 -0.4138 -0.4053 0.0972 0.1115 0.4737 0.4856 0.6906 0.7092 0.7799 0.7930 1.1383 1.1541 1.6650 1.6689 12.4579 12.4586 12.5509 12.5517 14.0067 14.0080 14.8852 14.8871 15.4209 15.4242 k = 0.6797-0.1090-0.0763 ( 3502 PWs) bands (ev): -21.2405 -21.2404 -20.9199 -20.9198 -20.6326 -20.6326 -18.8679 -18.8678 -18.5111 -18.5110 -18.2837 -18.2837 -5.2908 -5.2907 -4.5289 -4.5276 -3.5939 -3.5919 -2.8119 -2.8116 -2.5182 -2.5169 -2.1357 -2.1353 -1.9041 -1.8891 -1.7039 -1.6993 -1.2375 -1.2244 -1.0900 -1.0812 -0.7487 -0.7394 -0.4046 -0.3963 0.1140 0.1289 0.4491 0.4602 0.6837 0.7030 0.7577 0.7697 1.1395 1.1553 1.6663 1.6703 12.5085 12.5093 12.6047 12.6056 13.9239 13.9251 14.8945 14.8964 15.3958 15.3990 k = 0.6892-0.0987-0.0690 ( 3505 PWs) bands (ev): -21.2420 -21.2419 -20.9148 -20.9147 -20.6332 -20.6332 -18.8741 -18.8740 -18.5105 -18.5104 -18.2829 -18.2829 -5.2868 -5.2867 -4.5035 -4.5021 -3.6003 -3.5983 -2.8253 -2.8248 -2.5066 -2.5058 -2.1174 -2.1168 -1.8977 -1.8821 -1.7283 -1.7235 -1.2157 -1.2025 -1.1084 -1.1003 -0.7678 -0.7587 -0.3957 -0.3876 0.1300 0.1455 0.4251 0.4352 0.6772 0.6974 0.7361 0.7462 1.1411 1.1569 1.6676 1.6717 12.5595 12.5603 12.6604 12.6613 13.8390 13.8400 14.9039 14.9057 15.3732 15.3764 k = 0.6987-0.0883-0.0617 ( 3503 PWs) bands (ev): -21.2438 -21.2437 -20.9096 -20.9095 -20.6337 -20.6337 -18.8802 -18.8801 -18.5098 -18.5097 -18.2821 -18.2821 -5.2835 -5.2834 -4.4776 -4.4762 -3.6070 -3.6049 -2.8394 -2.8385 -2.4945 -2.4939 -2.0984 -2.0974 -1.8904 -1.8742 -1.7526 -1.7478 -1.1944 -1.1812 -1.1265 -1.1193 -0.7875 -0.7785 -0.3870 -0.3792 0.1446 0.1609 0.4022 0.4111 0.6702 0.6926 0.7159 0.7227 1.1432 1.1590 1.6689 1.6732 12.6102 12.6110 12.7177 12.7187 13.7531 13.7540 14.9131 14.9148 15.3527 15.3559 k = 0.7081-0.0779-0.0545 ( 3500 PWs) bands (ev): -21.2457 -21.2456 -20.9043 -20.9042 -20.6343 -20.6343 -18.8861 -18.8860 -18.5091 -18.5090 -18.2813 -18.2813 -5.2813 -5.2812 -4.4514 -4.4500 -3.6142 -3.6120 -2.8541 -2.8528 -2.4818 -2.4809 -2.0788 -2.0775 -1.8822 -1.8656 -1.7766 -1.7720 -1.1760 -1.1635 -1.1428 -1.1347 -0.8075 -0.7987 -0.3786 -0.3710 0.1571 0.1745 0.3813 0.3887 0.6612 0.6877 0.6979 0.7014 1.1458 1.1615 1.6702 1.6747 12.6592 12.6600 12.7767 12.7778 13.6678 13.6687 14.9221 14.9238 15.3339 15.3371 k = 0.7176-0.0675-0.0472 ( 3502 PWs) bands (ev): -21.2478 -21.2477 -20.8989 -20.8988 -20.6348 -20.6348 -18.8919 -18.8918 -18.5083 -18.5082 -18.2805 -18.2804 -5.2800 -5.2799 -4.4251 -4.4236 -3.6217 -3.6194 -2.8693 -2.8676 -2.4684 -2.4670 -2.0590 -2.0575 -1.8729 -1.8566 -1.7997 -1.7957 -1.1772 -1.1657 -1.1430 -1.1279 -0.8278 -0.8192 -0.3704 -0.3630 0.1664 0.1851 0.3635 0.3691 0.6474 0.6748 0.6830 0.6924 1.1488 1.1645 1.6716 1.6761 12.7049 12.7057 12.8373 12.8384 13.5852 13.5859 14.9308 14.9324 15.3164 15.3197 k = 0.7270-0.0572-0.0400 ( 3494 PWs) bands (ev): -21.2502 -21.2501 -20.8935 -20.8933 -20.6354 -20.6353 -18.8974 -18.8973 -18.5075 -18.5074 -18.2796 -18.2796 -5.2799 -5.2798 -4.3987 -4.3972 -3.6295 -3.6272 -2.8849 -2.8828 -2.4541 -2.4522 -2.0396 -2.0377 -1.8624 -1.8491 -1.8198 -1.8183 -1.1944 -1.1854 -1.1237 -1.1085 -0.8481 -0.8398 -0.3622 -0.3551 0.1714 0.1915 0.3500 0.3539 0.6294 0.6523 0.6788 0.6896 1.1523 1.1681 1.6729 1.6776 12.7443 12.7450 12.8992 12.9004 13.5082 13.5089 14.9391 14.9406 15.3001 15.3033 k = 0.7365-0.0468-0.0327 ( 3496 PWs) bands (ev): -21.2528 -21.2526 -20.8879 -20.8878 -20.6359 -20.6359 -18.9027 -18.9026 -18.5065 -18.5064 -18.2787 -18.2787 -5.2811 -5.2809 -4.3724 -4.3709 -3.6376 -3.6352 -2.9008 -2.8985 -2.4389 -2.4366 -2.0214 -2.0190 -1.8551 -1.8510 -1.8397 -1.8236 -1.2145 -1.2067 -1.1029 -1.0879 -0.8685 -0.8602 -0.3540 -0.3472 0.1709 0.1921 0.3418 0.3447 0.6097 0.6300 0.6773 0.6891 1.1564 1.1723 1.6743 1.6791 12.7730 12.7737 12.9625 12.9637 13.4415 13.4422 14.9469 14.9484 15.2847 15.2878 k = 0.7460-0.0364-0.0255 ( 3496 PWs) bands (ev): -21.2556 -21.2555 -20.8824 -20.8822 -20.6364 -20.6364 -18.9078 -18.9077 -18.5055 -18.5054 -18.2779 -18.2779 -5.2835 -5.2834 -4.3464 -4.3449 -3.6461 -3.6436 -2.9171 -2.9146 -2.4229 -2.4201 -2.0056 -2.0024 -1.8722 -1.8615 -1.8352 -1.8128 -1.2356 -1.2285 -1.0824 -1.0676 -0.8886 -0.8805 -0.3457 -0.3391 0.1647 0.1863 0.3392 0.3421 0.5897 0.6084 0.6776 0.6901 1.1611 1.1770 1.6757 1.6806 12.7851 12.7856 13.0269 13.0281 13.3912 13.3920 14.9541 14.9555 15.2700 15.2730 k = 0.7554-0.0260-0.0182 ( 3500 PWs) bands (ev): -21.2587 -21.2585 -20.8768 -20.8766 -20.6369 -20.6369 -18.9125 -18.9124 -18.5043 -18.5042 -18.2770 -18.2770 -5.2874 -5.2873 -4.3207 -4.3192 -3.6548 -3.6523 -2.9336 -2.9309 -2.4060 -2.4029 -1.9944 -1.9899 -1.8885 -1.8778 -1.8190 -1.7976 -1.2573 -1.2507 -1.0626 -1.0482 -0.9082 -0.9002 -0.3372 -0.3308 0.1539 0.1751 0.3418 0.3448 0.5703 0.5878 0.6794 0.6923 1.1663 1.1823 1.6770 1.6821 12.7741 12.7745 13.0922 13.0934 13.3639 13.3647 14.9606 14.9620 15.2559 15.2589 Writing output data file AlF3.save init_run : 0.37s CPU 1.03s WALL ( 1 calls) electrons : 312.43s CPU 314.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.41s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 312.42s CPU 314.27s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 288 calls) cegterg : 294.25s CPU 295.88s WALL ( 643 calls) Called by sum_band: Called by *egterg: h_psi : 196.46s CPU 200.39s WALL ( 9727 calls) s_psi : 5.29s CPU 5.64s WALL ( 9727 calls) g_psi : 0.39s CPU 0.40s WALL ( 8796 calls) cdiaghg : 81.01s CPU 79.89s WALL ( 9084 calls) cegterg:over : 9.34s CPU 8.99s WALL ( 8796 calls) cegterg:upda : 2.83s CPU 4.00s WALL ( 8796 calls) cegterg:last : 2.35s CPU 2.78s WALL ( 1507 calls) Called by h_psi: h_psi:vloc : 189.50s CPU 190.39s WALL ( 9727 calls) h_psi:vnl : 6.89s CPU 9.79s WALL ( 9727 calls) add_vuspsi : 2.34s CPU 4.04s WALL ( 9727 calls) General routines calbec : 4.54s CPU 5.72s WALL ( 9727 calls) fft : 0.02s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 188.66s CPU 183.30s WALL ( 1045444 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.02s CPU 0.11s WALL ( 576 calls) Parallel routines fft_scatter : 178.51s CPU 111.84s WALL ( 1045467 calls) PWSCF : 5m32.24s CPU 5m59.18s WALL This run was terminated on: 20:36:51 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=