Program PWSCF v.5.1.1 starts on 16Jun2016 at 22: 0: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CuPN2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 45 26 7 1053 449 70 Max 46 27 8 1058 464 74 Sum 2207 1267 363 50717 21915 3437 bravais-lattice index = 14 lattice parameter (alat) = 9.3799 a.u. unit-cell volume = 521.0351 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.379942 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.588510 celldm(5)= -0.588510 celldm(6)= 0.177019 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.177019 0.984207 0.000000 ) a(3) = ( -0.588510 -0.492104 0.641475 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.179860 0.779453 ) b(2) = ( 0.000000 1.016046 0.779453 ) b(3) = ( 0.000000 0.000000 1.558907 ) PseudoPot. # 1 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential N 5.00 14.00670 N( 1.00) Cu 11.00 63.54600 Cu( 1.00) P 5.00 30.97380 P( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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= 355 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0000000 0.0000000 0.0155891), wk = 0.0028169 k( 3) = ( 0.0000000 0.0000000 0.0311781), wk = 0.0028169 k( 4) = ( 0.0000000 0.0000000 0.0467672), wk = 0.0028169 k( 5) = ( 0.0000000 0.0000000 0.0623563), wk = 0.0028169 k( 6) = ( 0.0000000 0.0000000 0.0779453), wk = 0.0028169 k( 7) = ( 0.0000000 0.0000000 0.0935344), wk = 0.0028169 k( 8) = ( 0.0000000 0.0000000 0.1091235), wk = 0.0028169 k( 9) = ( 0.0000000 0.0000000 0.1247125), wk = 0.0028169 k( 10) = ( 0.0000000 0.0000000 0.1403016), wk = 0.0028169 k( 11) = ( 0.0000000 0.0000000 0.1558907), wk = 0.0028169 k( 12) = ( 0.0000000 0.0000000 0.1714798), wk = 0.0028169 k( 13) = ( 0.0000000 0.0000000 0.1870688), wk = 0.0028169 k( 14) = ( 0.0000000 0.0000000 0.2026579), wk = 0.0028169 k( 15) = ( 0.0000000 0.0000000 0.2182470), wk = 0.0028169 k( 16) = ( 0.0000000 0.0000000 0.2338360), wk = 0.0028169 k( 17) = ( 0.0000000 0.0000000 0.2494251), wk = 0.0028169 k( 18) = ( 0.0000000 0.0000000 0.2650142), wk = 0.0028169 k( 19) = ( 0.0000000 0.0000000 0.2806032), wk = 0.0028169 k( 20) = ( 0.0000000 0.0000000 0.2961923), wk = 0.0028169 k( 21) = ( 0.0000000 0.0000000 0.3117814), wk = 0.0028169 k( 22) = ( 0.0000000 0.0000000 0.3273704), wk = 0.0028169 k( 23) = ( 0.0000000 0.0000000 0.3429595), wk = 0.0028169 k( 24) = ( 0.0000000 0.0000000 0.3585486), wk = 0.0028169 k( 25) = ( 0.0000000 0.0000000 0.3741376), wk = 0.0028169 k( 26) = ( 0.0000000 0.0000000 0.3897267), wk = 0.0028169 k( 27) = ( 0.0000000 0.0000000 0.4053158), wk = 0.0028169 k( 28) = ( 0.0000000 0.0000000 0.4209049), wk = 0.0028169 k( 29) = ( 0.0000000 0.0000000 0.4364939), wk = 0.0028169 k( 30) = ( 0.0000000 0.0000000 0.4520830), wk = 0.0028169 k( 31) = ( 0.0000000 0.0000000 0.4676721), wk = 0.0028169 k( 32) = ( 0.0000000 0.0000000 0.4832611), wk = 0.0028169 k( 33) = ( 0.0000000 0.0000000 0.4988502), wk = 0.0028169 k( 34) = ( 0.0000000 0.0000000 0.5144393), wk = 0.0028169 k( 35) = ( 0.0000000 0.0000000 0.5300283), wk = 0.0028169 k( 36) = ( 0.0000000 0.0000000 0.5456174), wk = 0.0028169 k( 37) = ( 0.0000000 0.0000000 0.5612065), wk = 0.0028169 k( 38) = ( 0.0000000 0.0000000 0.5767955), wk = 0.0028169 k( 39) = ( 0.0000000 0.0000000 0.5923846), wk = 0.0028169 k( 40) = ( 0.0000000 0.0000000 0.6079737), wk = 0.0028169 k( 41) = ( 0.0000000 0.0000000 0.6235627), wk = 0.0028169 k( 42) = ( 0.0000000 0.0000000 0.6391518), wk = 0.0028169 k( 43) = ( 0.0000000 0.0000000 0.6547409), wk = 0.0028169 k( 44) = ( 0.0000000 0.0000000 0.6703299), wk = 0.0028169 k( 45) = ( 0.0000000 0.0000000 0.6859190), wk = 0.0028169 k( 46) = ( 0.0000000 0.0000000 0.7015081), wk = 0.0028169 k( 47) = ( 0.0000000 0.0000000 0.7170972), wk = 0.0028169 k( 48) = ( 0.0000000 0.0000000 0.7326862), wk = 0.0028169 k( 49) = ( 0.0000000 0.0000000 0.7482753), wk = 0.0028169 k( 50) = ( 0.0000000 0.0000000 0.7638644), wk = 0.0028169 k( 51) = ( 0.0000000 0.0000000 0.7794534), wk = 0.0028169 k( 52) = ( 0.0000000 0.0000000 0.7794534), wk = 0.0028169 k( 53) = ( -0.0097112 0.0116137 0.7794534), wk = 0.0028169 k( 54) = ( -0.0194224 0.0232274 0.7794534), wk = 0.0028169 k( 55) = ( -0.0291337 0.0348411 0.7794534), wk = 0.0028169 k( 56) = ( -0.0388449 0.0464548 0.7794534), wk = 0.0028169 k( 57) = ( -0.0485561 0.0580685 0.7794534), wk = 0.0028169 k( 58) = ( -0.0582673 0.0696822 0.7794534), wk = 0.0028169 k( 59) = ( -0.0679785 0.0812959 0.7794534), wk = 0.0028169 k( 60) = ( -0.0776897 0.0929096 0.7794534), wk = 0.0028169 k( 61) = ( -0.0874009 0.1045233 0.7794534), wk = 0.0028169 k( 62) = ( -0.0971121 0.1161370 0.7794534), wk = 0.0028169 k( 63) = ( -0.1068234 0.1277507 0.7794534), wk = 0.0028169 k( 64) = ( -0.1165346 0.1393644 0.7794534), wk = 0.0028169 k( 65) = ( -0.1262458 0.1509781 0.7794534), wk = 0.0028169 k( 66) = ( -0.1359570 0.1625918 0.7794534), wk = 0.0028169 k( 67) = ( -0.1456682 0.1742055 0.7794534), wk = 0.0028169 k( 68) = ( -0.1553795 0.1858192 0.7794534), wk = 0.0028169 k( 69) = ( -0.1650907 0.1974329 0.7794534), wk = 0.0028169 k( 70) = ( -0.1748019 0.2090466 0.7794534), wk = 0.0028169 k( 71) = ( -0.1748019 0.2090466 0.7794534), wk = 0.0028169 k( 72) = ( -0.1818714 0.2175011 0.7684327), wk = 0.0028169 k( 73) = ( -0.1889409 0.2259555 0.7574120), wk = 0.0028169 k( 74) = ( -0.1960105 0.2344100 0.7463912), wk = 0.0028169 k( 75) = ( -0.2030800 0.2428645 0.7353705), wk = 0.0028169 k( 76) = ( -0.2101495 0.2513190 0.7243498), wk = 0.0028169 k( 77) = ( -0.2172190 0.2597735 0.7133290), wk = 0.0028169 k( 78) = ( -0.2242886 0.2682280 0.7023083), wk = 0.0028169 k( 79) = ( -0.2313581 0.2766824 0.6912876), wk = 0.0028169 k( 80) = ( -0.2384276 0.2851369 0.6802669), wk = 0.0028169 k( 81) = ( -0.2454971 0.2935914 0.6692461), wk = 0.0028169 k( 82) = ( -0.2525667 0.3020459 0.6582254), wk = 0.0028169 k( 83) = ( -0.2596362 0.3105004 0.6472047), wk = 0.0028169 k( 84) = ( -0.2667057 0.3189549 0.6361839), wk = 0.0028169 k( 85) = ( -0.2737752 0.3274094 0.6251632), wk = 0.0028169 k( 86) = ( -0.2808447 0.3358638 0.6141425), wk = 0.0028169 k( 87) = ( -0.2879143 0.3443183 0.6031217), wk = 0.0028169 k( 88) = ( -0.2949838 0.3527728 0.5921010), wk = 0.0028169 k( 89) = ( -0.3020533 0.3612273 0.5810803), wk = 0.0028169 k( 90) = ( -0.3091228 0.3696818 0.5700596), wk = 0.0028169 k( 91) = ( -0.3161924 0.3781363 0.5590388), wk = 0.0028169 k( 92) = ( -0.3232619 0.3865908 0.5480181), wk = 0.0028169 k( 93) = ( -0.3303314 0.3950452 0.5369974), wk = 0.0028169 k( 94) = ( -0.3374009 0.4034997 0.5259766), wk = 0.0028169 k( 95) = ( -0.3374009 0.4034997 0.5259766), wk = 0.0028169 k( 96) = ( -0.3303718 0.3950935 0.5150188), wk = 0.0028169 k( 97) = ( -0.3233426 0.3866872 0.5040610), wk = 0.0028169 k( 98) = ( -0.3163134 0.3782810 0.4931031), wk = 0.0028169 k( 99) = ( -0.3092842 0.3698747 0.4821452), wk = 0.0028169 k( 100) = ( -0.3022550 0.3614685 0.4711874), wk = 0.0028169 k( 101) = ( -0.2952258 0.3530623 0.4602296), wk = 0.0028169 k( 102) = ( -0.2881966 0.3446560 0.4492717), wk = 0.0028169 k( 103) = ( -0.2811674 0.3362498 0.4383139), wk = 0.0028169 k( 104) = ( -0.2741383 0.3278435 0.4273560), wk = 0.0028169 k( 105) = ( -0.2671091 0.3194373 0.4163982), wk = 0.0028169 k( 106) = ( -0.2600799 0.3110310 0.4054403), wk = 0.0028169 k( 107) = ( -0.2530507 0.3026248 0.3944825), wk = 0.0028169 k( 108) = ( -0.2460215 0.2942186 0.3835246), wk = 0.0028169 k( 109) = ( -0.2389923 0.2858123 0.3725668), wk = 0.0028169 k( 110) = ( -0.2319632 0.2774061 0.3616089), wk = 0.0028169 k( 111) = ( -0.2249340 0.2689998 0.3506511), wk = 0.0028169 k( 112) = ( -0.2179048 0.2605936 0.3396932), wk = 0.0028169 k( 113) = ( -0.2108756 0.2521873 0.3287354), wk = 0.0028169 k( 114) = ( -0.2038464 0.2437811 0.3177776), wk = 0.0028169 k( 115) = ( -0.1968172 0.2353748 0.3068197), wk = 0.0028169 k( 116) = ( -0.1897880 0.2269686 0.2958619), wk = 0.0028169 k( 117) = ( -0.1827588 0.2185624 0.2849040), wk = 0.0028169 k( 118) = ( -0.1757297 0.2101561 0.2739462), wk = 0.0028169 k( 119) = ( -0.1687005 0.2017499 0.2629883), wk = 0.0028169 k( 120) = ( -0.1616713 0.1933436 0.2520305), wk = 0.0028169 k( 121) = ( -0.1546421 0.1849374 0.2410726), wk = 0.0028169 k( 122) = ( -0.1476129 0.1765311 0.2301148), wk = 0.0028169 k( 123) = ( -0.1405837 0.1681249 0.2191569), wk = 0.0028169 k( 124) = ( -0.1335545 0.1597186 0.2081991), wk = 0.0028169 k( 125) = ( -0.1265254 0.1513124 0.1972412), wk = 0.0028169 k( 126) = ( -0.1194962 0.1429062 0.1862834), wk = 0.0028169 k( 127) = ( -0.1124670 0.1344999 0.1753255), wk = 0.0028169 k( 128) = ( -0.1054378 0.1260937 0.1643677), wk = 0.0028169 k( 129) = ( -0.0984086 0.1176874 0.1534099), wk = 0.0028169 k( 130) = ( -0.0913794 0.1092812 0.1424520), wk = 0.0028169 k( 131) = ( -0.0843502 0.1008749 0.1314942), wk = 0.0028169 k( 132) = ( -0.0773211 0.0924687 0.1205363), wk = 0.0028169 k( 133) = ( -0.0702919 0.0840624 0.1095785), wk = 0.0028169 k( 134) = ( -0.0632627 0.0756562 0.0986206), wk = 0.0028169 k( 135) = ( -0.0562335 0.0672500 0.0876628), wk = 0.0028169 k( 136) = ( -0.0492043 0.0588437 0.0767049), wk = 0.0028169 k( 137) = ( -0.0421751 0.0504375 0.0657471), wk = 0.0028169 k( 138) = ( -0.0351459 0.0420312 0.0547892), wk = 0.0028169 k( 139) = ( -0.0281167 0.0336250 0.0438314), wk = 0.0028169 k( 140) = ( -0.0210876 0.0252187 0.0328735), wk = 0.0028169 k( 141) = ( -0.0140584 0.0168125 0.0219157), wk = 0.0028169 k( 142) = ( -0.0070292 0.0084062 0.0109579), wk = 0.0028169 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 145) = ( 0.0119048 0.0099546 0.0000000), wk = 0.0028169 k( 146) = ( 0.0238095 0.0199092 0.0000000), wk = 0.0028169 k( 147) = ( 0.0357143 0.0298638 0.0000000), wk = 0.0028169 k( 148) = ( 0.0476191 0.0398184 0.0000000), wk = 0.0028169 k( 149) = ( 0.0595238 0.0497730 0.0000000), wk = 0.0028169 k( 150) = ( 0.0714286 0.0597276 0.0000000), wk = 0.0028169 k( 151) = ( 0.0833333 0.0696822 0.0000000), wk = 0.0028169 k( 152) = ( 0.0952381 0.0796368 0.0000000), wk = 0.0028169 k( 153) = ( 0.1071429 0.0895914 0.0000000), wk = 0.0028169 k( 154) = ( 0.1190476 0.0995460 0.0000000), wk = 0.0028169 k( 155) = ( 0.1309524 0.1095006 0.0000000), wk = 0.0028169 k( 156) = ( 0.1428571 0.1194552 0.0000000), wk = 0.0028169 k( 157) = ( 0.1547619 0.1294098 0.0000000), wk = 0.0028169 k( 158) = ( 0.1666667 0.1393644 0.0000000), wk = 0.0028169 k( 159) = ( 0.1785714 0.1493190 0.0000000), wk = 0.0028169 k( 160) = ( 0.1904762 0.1592736 0.0000000), wk = 0.0028169 k( 161) = ( 0.2023810 0.1692282 0.0000000), wk = 0.0028169 k( 162) = ( 0.2142857 0.1791828 0.0000000), wk = 0.0028169 k( 163) = ( 0.2261905 0.1891374 0.0000000), wk = 0.0028169 k( 164) = ( 0.2380952 0.1990920 0.0000000), wk = 0.0028169 k( 165) = ( 0.2500000 0.2090466 0.0000000), wk = 0.0028169 k( 166) = ( 0.2619048 0.2190012 0.0000000), wk = 0.0028169 k( 167) = ( 0.2738095 0.2289558 0.0000000), wk = 0.0028169 k( 168) = ( 0.2857143 0.2389104 0.0000000), wk = 0.0028169 k( 169) = ( 0.2976190 0.2488650 0.0000000), wk = 0.0028169 k( 170) = ( 0.3095238 0.2588196 0.0000000), wk = 0.0028169 k( 171) = ( 0.3214286 0.2687742 0.0000000), wk = 0.0028169 k( 172) = ( 0.3333333 0.2787288 0.0000000), wk = 0.0028169 k( 173) = ( 0.3452381 0.2886834 0.0000000), wk = 0.0028169 k( 174) = ( 0.3571429 0.2986380 0.0000000), wk = 0.0028169 k( 175) = ( 0.3690476 0.3085926 0.0000000), wk = 0.0028169 k( 176) = ( 0.3809524 0.3185472 0.0000000), wk = 0.0028169 k( 177) = ( 0.3928571 0.3285018 0.0000000), wk = 0.0028169 k( 178) = ( 0.4047619 0.3384564 0.0000000), wk = 0.0028169 k( 179) = ( 0.4166667 0.3484110 0.0000000), wk = 0.0028169 k( 180) = ( 0.4285714 0.3583656 0.0000000), wk = 0.0028169 k( 181) = ( 0.4404762 0.3683201 0.0000000), wk = 0.0028169 k( 182) = ( 0.4523810 0.3782747 0.0000000), wk = 0.0028169 k( 183) = ( 0.4642857 0.3882293 0.0000000), wk = 0.0028169 k( 184) = ( 0.4761905 0.3981839 0.0000000), wk = 0.0028169 k( 185) = ( 0.4880952 0.4081385 0.0000000), wk = 0.0028169 k( 186) = ( 0.5000000 0.4180931 0.0000000), wk = 0.0028169 k( 187) = ( 0.5000000 0.4180931 0.0000000), wk = 0.0028169 k( 188) = ( 0.4929305 0.4265476 0.0110207), wk = 0.0028169 k( 189) = ( 0.4858610 0.4350021 0.0220415), wk = 0.0028169 k( 190) = ( 0.4787914 0.4434566 0.0330622), wk = 0.0028169 k( 191) = ( 0.4717219 0.4519111 0.0440829), wk = 0.0028169 k( 192) = ( 0.4646524 0.4603656 0.0551036), wk = 0.0028169 k( 193) = ( 0.4575828 0.4688201 0.0661244), wk = 0.0028169 k( 194) = ( 0.4505133 0.4772745 0.0771451), wk = 0.0028169 k( 195) = ( 0.4434438 0.4857290 0.0881658), wk = 0.0028169 k( 196) = ( 0.4363743 0.4941835 0.0991866), wk = 0.0028169 k( 197) = ( 0.4293048 0.5026380 0.1102073), wk = 0.0028169 k( 198) = ( 0.4222352 0.5110925 0.1212280), wk = 0.0028169 k( 199) = ( 0.4151657 0.5195470 0.1322488), wk = 0.0028169 k( 200) = ( 0.4080962 0.5280015 0.1432695), wk = 0.0028169 k( 201) = ( 0.4010267 0.5364559 0.1542902), wk = 0.0028169 k( 202) = ( 0.3939571 0.5449104 0.1653110), wk = 0.0028169 k( 203) = ( 0.3868876 0.5533649 0.1763317), wk = 0.0028169 k( 204) = ( 0.3798181 0.5618194 0.1873524), wk = 0.0028169 k( 205) = ( 0.3727486 0.5702739 0.1983731), wk = 0.0028169 k( 206) = ( 0.3656790 0.5787284 0.2093939), wk = 0.0028169 k( 207) = ( 0.3586095 0.5871828 0.2204146), wk = 0.0028169 k( 208) = ( 0.3515400 0.5956373 0.2314353), wk = 0.0028169 k( 209) = ( 0.3444705 0.6040918 0.2424561), wk = 0.0028169 k( 210) = ( 0.3374009 0.6125463 0.2534768), wk = 0.0028169 k( 211) = ( 0.3374009 0.6125463 0.2534768), wk = 0.0028169 k( 212) = ( 0.3233426 0.6081912 0.2591539), wk = 0.0028169 k( 213) = ( 0.3092842 0.6038360 0.2648310), wk = 0.0028169 k( 214) = ( 0.2952258 0.5994809 0.2705080), wk = 0.0028169 k( 215) = ( 0.2811674 0.5951258 0.2761851), wk = 0.0028169 k( 216) = ( 0.2671091 0.5907706 0.2818622), wk = 0.0028169 k( 217) = ( 0.2530507 0.5864155 0.2875393), wk = 0.0028169 k( 218) = ( 0.2389923 0.5820603 0.2932164), wk = 0.0028169 k( 219) = ( 0.2249340 0.5777052 0.2988934), wk = 0.0028169 k( 220) = ( 0.2108756 0.5733501 0.3045705), wk = 0.0028169 k( 221) = ( 0.1968172 0.5689949 0.3102476), wk = 0.0028169 k( 222) = ( 0.1827588 0.5646398 0.3159247), wk = 0.0028169 k( 223) = ( 0.1687005 0.5602847 0.3216018), wk = 0.0028169 k( 224) = ( 0.1546421 0.5559295 0.3272788), wk = 0.0028169 k( 225) = ( 0.1405837 0.5515744 0.3329559), wk = 0.0028169 k( 226) = ( 0.1265254 0.5472192 0.3386330), wk = 0.0028169 k( 227) = ( 0.1124670 0.5428641 0.3443101), wk = 0.0028169 k( 228) = ( 0.0984086 0.5385090 0.3499872), wk = 0.0028169 k( 229) = ( 0.0843502 0.5341538 0.3556642), wk = 0.0028169 k( 230) = ( 0.0702919 0.5297987 0.3613413), wk = 0.0028169 k( 231) = ( 0.0562335 0.5254436 0.3670184), wk = 0.0028169 k( 232) = ( 0.0421751 0.5210884 0.3726955), wk = 0.0028169 k( 233) = ( 0.0281167 0.5167333 0.3783726), wk = 0.0028169 k( 234) = ( 0.0140584 0.5123781 0.3840496), wk = 0.0028169 k( 235) = ( 0.0000000 0.5080230 0.3897267), wk = 0.0028169 k( 236) = ( 0.0000000 0.5080230 0.3897267), wk = 0.0028169 k( 237) = ( 0.0071429 0.4994808 0.4008618), wk = 0.0028169 k( 238) = ( 0.0142857 0.4909386 0.4119968), wk = 0.0028169 k( 239) = ( 0.0214286 0.4823965 0.4231319), wk = 0.0028169 k( 240) = ( 0.0285714 0.4738543 0.4342669), wk = 0.0028169 k( 241) = ( 0.0357143 0.4653121 0.4454020), wk = 0.0028169 k( 242) = ( 0.0428571 0.4567699 0.4565370), wk = 0.0028169 k( 243) = ( 0.0500000 0.4482277 0.4676721), wk = 0.0028169 k( 244) = ( 0.0571429 0.4396855 0.4788071), wk = 0.0028169 k( 245) = ( 0.0642857 0.4311434 0.4899421), wk = 0.0028169 k( 246) = ( 0.0714286 0.4226012 0.5010772), wk = 0.0028169 k( 247) = ( 0.0785714 0.4140590 0.5122123), wk = 0.0028169 k( 248) = ( 0.0857143 0.4055168 0.5233473), wk = 0.0028169 k( 249) = ( 0.0928571 0.3969746 0.5344823), wk = 0.0028169 k( 250) = ( 0.1000000 0.3884324 0.5456174), wk = 0.0028169 k( 251) = ( 0.1071429 0.3798902 0.5567525), wk = 0.0028169 k( 252) = ( 0.1142857 0.3713481 0.5678875), wk = 0.0028169 k( 253) = ( 0.1214286 0.3628059 0.5790225), wk = 0.0028169 k( 254) = ( 0.1285714 0.3542637 0.5901576), wk = 0.0028169 k( 255) = ( 0.1357143 0.3457215 0.6012927), wk = 0.0028169 k( 256) = ( 0.1428571 0.3371793 0.6124277), wk = 0.0028169 k( 257) = ( 0.1500000 0.3286371 0.6235627), wk = 0.0028169 k( 258) = ( 0.1571429 0.3200950 0.6346978), wk = 0.0028169 k( 259) = ( 0.1642857 0.3115528 0.6458328), wk = 0.0028169 k( 260) = ( 0.1714286 0.3030106 0.6569679), wk = 0.0028169 k( 261) = ( 0.1785714 0.2944684 0.6681029), wk = 0.0028169 k( 262) = ( 0.1857143 0.2859262 0.6792380), wk = 0.0028169 k( 263) = ( 0.1928571 0.2773840 0.6903730), wk = 0.0028169 k( 264) = ( 0.2000000 0.2688419 0.7015081), wk = 0.0028169 k( 265) = ( 0.2071429 0.2602997 0.7126431), wk = 0.0028169 k( 266) = ( 0.2142857 0.2517575 0.7237782), wk = 0.0028169 k( 267) = ( 0.2214286 0.2432153 0.7349132), wk = 0.0028169 k( 268) = ( 0.2285714 0.2346731 0.7460483), wk = 0.0028169 k( 269) = ( 0.2357143 0.2261309 0.7571833), wk = 0.0028169 k( 270) = ( 0.2428571 0.2175888 0.7683184), wk = 0.0028169 k( 271) = ( 0.2500000 0.2090466 0.7794534), wk = 0.0028169 k( 272) = ( 0.2500000 0.2090466 0.7794534), wk = 0.0028169 k( 273) = ( 0.2592593 0.2167890 0.7693608), wk = 0.0028169 k( 274) = ( 0.2685185 0.2245315 0.7592683), wk = 0.0028169 k( 275) = ( 0.2777778 0.2322740 0.7491757), wk = 0.0028169 k( 276) = ( 0.2870370 0.2400164 0.7390831), wk = 0.0028169 k( 277) = ( 0.2962963 0.2477589 0.7289905), wk = 0.0028169 k( 278) = ( 0.3055556 0.2555014 0.7188979), wk = 0.0028169 k( 279) = ( 0.3148148 0.2632438 0.7088053), wk = 0.0028169 k( 280) = ( 0.3240741 0.2709863 0.6987127), wk = 0.0028169 k( 281) = ( 0.3333333 0.2787288 0.6886201), wk = 0.0028169 k( 282) = ( 0.3425926 0.2864712 0.6785276), wk = 0.0028169 k( 283) = ( 0.3518519 0.2942137 0.6684350), wk = 0.0028169 k( 284) = ( 0.3611111 0.3019562 0.6583424), wk = 0.0028169 k( 285) = ( 0.3703704 0.3096986 0.6482498), wk = 0.0028169 k( 286) = ( 0.3796296 0.3174411 0.6381572), wk = 0.0028169 k( 287) = ( 0.3888889 0.3251836 0.6280646), wk = 0.0028169 k( 288) = ( 0.3981481 0.3329260 0.6179720), wk = 0.0028169 k( 289) = ( 0.4074074 0.3406685 0.6078795), wk = 0.0028169 k( 290) = ( 0.4166667 0.3484110 0.5977869), wk = 0.0028169 k( 291) = ( 0.4259259 0.3561534 0.5876943), wk = 0.0028169 k( 292) = ( 0.4351852 0.3638959 0.5776017), wk = 0.0028169 k( 293) = ( 0.4444444 0.3716383 0.5675091), wk = 0.0028169 k( 294) = ( 0.4537037 0.3793808 0.5574165), wk = 0.0028169 k( 295) = ( 0.4629630 0.3871233 0.5473239), wk = 0.0028169 k( 296) = ( 0.4722222 0.3948657 0.5372313), wk = 0.0028169 k( 297) = ( 0.4814815 0.4026082 0.5271388), wk = 0.0028169 k( 298) = ( 0.4907407 0.4103507 0.5170462), wk = 0.0028169 k( 299) = ( 0.5000000 0.4180931 0.5069536), wk = 0.0028169 k( 300) = ( 0.5000000 0.4180931 0.5069536), wk = 0.0028169 k( 301) = ( 0.5000000 0.4180931 0.4915913), wk = 0.0028169 k( 302) = ( 0.5000000 0.4180931 0.4762291), wk = 0.0028169 k( 303) = ( 0.5000000 0.4180931 0.4608669), wk = 0.0028169 k( 304) = ( 0.5000000 0.4180931 0.4455047), wk = 0.0028169 k( 305) = ( 0.5000000 0.4180931 0.4301424), wk = 0.0028169 k( 306) = ( 0.5000000 0.4180931 0.4147802), wk = 0.0028169 k( 307) = ( 0.5000000 0.4180931 0.3994180), wk = 0.0028169 k( 308) = ( 0.5000000 0.4180931 0.3840557), wk = 0.0028169 k( 309) = ( 0.5000000 0.4180931 0.3686935), wk = 0.0028169 k( 310) = ( 0.5000000 0.4180931 0.3533313), wk = 0.0028169 k( 311) = ( 0.5000000 0.4180931 0.3379691), wk = 0.0028169 k( 312) = ( 0.5000000 0.4180931 0.3226068), wk = 0.0028169 k( 313) = ( 0.5000000 0.4180931 0.3072446), wk = 0.0028169 k( 314) = ( 0.5000000 0.4180931 0.2918824), wk = 0.0028169 k( 315) = ( 0.5000000 0.4180931 0.2765201), wk = 0.0028169 k( 316) = ( 0.5000000 0.4180931 0.2611579), wk = 0.0028169 k( 317) = ( 0.5000000 0.4180931 0.2457957), wk = 0.0028169 k( 318) = ( 0.5000000 0.4180931 0.2304334), wk = 0.0028169 k( 319) = ( 0.5000000 0.4180931 0.2150712), wk = 0.0028169 k( 320) = ( 0.5000000 0.4180931 0.1997090), wk = 0.0028169 k( 321) = ( 0.5000000 0.4180931 0.1843468), wk = 0.0028169 k( 322) = ( 0.5000000 0.4180931 0.1689845), wk = 0.0028169 k( 323) = ( 0.5000000 0.4180931 0.1536223), wk = 0.0028169 k( 324) = ( 0.5000000 0.4180931 0.1382601), wk = 0.0028169 k( 325) = ( 0.5000000 0.4180931 0.1228978), wk = 0.0028169 k( 326) = ( 0.5000000 0.4180931 0.1075356), wk = 0.0028169 k( 327) = ( 0.5000000 0.4180931 0.0921734), wk = 0.0028169 k( 328) = ( 0.5000000 0.4180931 0.0768111), wk = 0.0028169 k( 329) = ( 0.5000000 0.4180931 0.0614489), wk = 0.0028169 k( 330) = ( 0.5000000 0.4180931 0.0460867), wk = 0.0028169 k( 331) = ( 0.5000000 0.4180931 0.0307245), wk = 0.0028169 k( 332) = ( 0.5000000 0.4180931 0.0153622), wk = 0.0028169 k( 333) = ( 0.5000000 0.4180931 0.0000000), wk = 0.0028169 k( 334) = ( 0.0000000 0.0000000 0.7794534), wk = 0.0028169 k( 335) = ( 0.0119048 0.0099546 0.7794534), wk = 0.0028169 k( 336) = ( 0.0238095 0.0199092 0.7794534), wk = 0.0028169 k( 337) = ( 0.0357143 0.0298638 0.7794534), wk = 0.0028169 k( 338) = ( 0.0476191 0.0398184 0.7794534), wk = 0.0028169 k( 339) = ( 0.0595238 0.0497730 0.7794534), wk = 0.0028169 k( 340) = ( 0.0714286 0.0597276 0.7794534), wk = 0.0028169 k( 341) = ( 0.0833333 0.0696822 0.7794534), wk = 0.0028169 k( 342) = ( 0.0952381 0.0796368 0.7794534), wk = 0.0028169 k( 343) = ( 0.1071429 0.0895914 0.7794534), wk = 0.0028169 k( 344) = ( 0.1190476 0.0995460 0.7794534), wk = 0.0028169 k( 345) = ( 0.1309524 0.1095006 0.7794534), wk = 0.0028169 k( 346) = ( 0.1428571 0.1194552 0.7794534), wk = 0.0028169 k( 347) = ( 0.1547619 0.1294098 0.7794534), wk = 0.0028169 k( 348) = ( 0.1666667 0.1393644 0.7794534), wk = 0.0028169 k( 349) = ( 0.1785714 0.1493190 0.7794534), wk = 0.0028169 k( 350) = ( 0.1904762 0.1592736 0.7794534), wk = 0.0028169 k( 351) = ( 0.2023810 0.1692282 0.7794534), wk = 0.0028169 k( 352) = ( 0.2142857 0.1791828 0.7794534), wk = 0.0028169 k( 353) = ( 0.2261905 0.1891374 0.7794534), wk = 0.0028169 k( 354) = ( 0.2380952 0.1990920 0.7794534), wk = 0.0028169 k( 355) = ( 0.2500000 0.2090466 0.7794534), wk = 0.0028169 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 2) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0028169 k( 3) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0028169 k( 4) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0028169 k( 5) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0028169 k( 6) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0028169 k( 7) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0028169 k( 8) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0028169 k( 9) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0028169 k( 10) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0028169 k( 11) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028169 k( 12) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0028169 k( 13) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0028169 k( 14) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0028169 k( 15) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0028169 k( 16) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0028169 k( 17) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0028169 k( 18) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0028169 k( 19) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0028169 k( 20) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0028169 k( 21) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028169 k( 22) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0028169 k( 23) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0028169 k( 24) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0028169 k( 25) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0028169 k( 26) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028169 k( 27) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0028169 k( 28) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0028169 k( 29) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0028169 k( 30) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0028169 k( 31) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028169 k( 32) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0028169 k( 33) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0028169 k( 34) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0028169 k( 35) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0028169 k( 36) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0028169 k( 37) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0028169 k( 38) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0028169 k( 39) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0028169 k( 40) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0028169 k( 41) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028169 k( 42) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0028169 k( 43) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0028169 k( 44) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0028169 k( 45) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0028169 k( 46) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0028169 k( 47) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0028169 k( 48) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0028169 k( 49) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0028169 k( 50) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0028169 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028169 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028169 k( 53) = ( -0.0097112 0.0097112 0.5000000), wk = 0.0028169 k( 54) = ( -0.0194224 0.0194224 0.5000000), wk = 0.0028169 k( 55) = ( -0.0291337 0.0291336 0.5000000), wk = 0.0028169 k( 56) = ( -0.0388449 0.0388449 0.5000000), wk = 0.0028169 k( 57) = ( -0.0485561 0.0485561 0.5000000), wk = 0.0028169 k( 58) = ( -0.0582673 0.0582673 0.5000000), wk = 0.0028169 k( 59) = ( -0.0679785 0.0679785 0.5000000), wk = 0.0028169 k( 60) = ( -0.0776897 0.0776897 0.5000000), wk = 0.0028169 k( 61) = ( -0.0874009 0.0874009 0.5000000), wk = 0.0028169 k( 62) = ( -0.0971121 0.0971121 0.5000000), wk = 0.0028169 k( 63) = ( -0.1068234 0.1068234 0.5000000), wk = 0.0028169 k( 64) = ( -0.1165346 0.1165346 0.5000000), wk = 0.0028169 k( 65) = ( -0.1262458 0.1262458 0.5000000), wk = 0.0028169 k( 66) = ( -0.1359570 0.1359570 0.5000000), wk = 0.0028169 k( 67) = ( -0.1456682 0.1456682 0.5000000), wk = 0.0028169 k( 68) = ( -0.1553795 0.1553795 0.5000000), wk = 0.0028169 k( 69) = ( -0.1650907 0.1650907 0.5000000), wk = 0.0028169 k( 70) = ( -0.1748019 0.1748019 0.5000000), wk = 0.0028169 k( 71) = ( -0.1748019 0.1748019 0.5000000), wk = 0.0028169 k( 72) = ( -0.1818714 0.1818714 0.4929305), wk = 0.0028169 k( 73) = ( -0.1889409 0.1889409 0.4858609), wk = 0.0028169 k( 74) = ( -0.1960105 0.1960104 0.4787914), wk = 0.0028169 k( 75) = ( -0.2030800 0.2030800 0.4717219), wk = 0.0028169 k( 76) = ( -0.2101495 0.2101495 0.4646524), wk = 0.0028169 k( 77) = ( -0.2172190 0.2172190 0.4575828), wk = 0.0028169 k( 78) = ( -0.2242886 0.2242885 0.4505133), wk = 0.0028169 k( 79) = ( -0.2313581 0.2313581 0.4434438), wk = 0.0028169 k( 80) = ( -0.2384276 0.2384276 0.4363743), wk = 0.0028169 k( 81) = ( -0.2454971 0.2454971 0.4293048), wk = 0.0028169 k( 82) = ( -0.2525667 0.2525666 0.4222352), wk = 0.0028169 k( 83) = ( -0.2596362 0.2596362 0.4151657), wk = 0.0028169 k( 84) = ( -0.2667057 0.2667057 0.4080962), wk = 0.0028169 k( 85) = ( -0.2737752 0.2737752 0.4010267), wk = 0.0028169 k( 86) = ( -0.2808447 0.2808447 0.3939571), wk = 0.0028169 k( 87) = ( -0.2879143 0.2879143 0.3868876), wk = 0.0028169 k( 88) = ( -0.2949838 0.2949838 0.3798181), wk = 0.0028169 k( 89) = ( -0.3020533 0.3020533 0.3727486), wk = 0.0028169 k( 90) = ( -0.3091228 0.3091228 0.3656790), wk = 0.0028169 k( 91) = ( -0.3161924 0.3161924 0.3586095), wk = 0.0028169 k( 92) = ( -0.3232619 0.3232619 0.3515400), wk = 0.0028169 k( 93) = ( -0.3303314 0.3303314 0.3444705), wk = 0.0028169 k( 94) = ( -0.3374009 0.3374009 0.3374009), wk = 0.0028169 k( 95) = ( -0.3374009 0.3374009 0.3374009), wk = 0.0028169 k( 96) = ( -0.3303718 0.3303717 0.3303717), wk = 0.0028169 k( 97) = ( -0.3233426 0.3233426 0.3233426), wk = 0.0028169 k( 98) = ( -0.3163134 0.3163134 0.3163134), wk = 0.0028169 k( 99) = ( -0.3092842 0.3092842 0.3092842), wk = 0.0028169 k( 100) = ( -0.3022550 0.3022550 0.3022550), wk = 0.0028169 k( 101) = ( -0.2952258 0.2952258 0.2952258), wk = 0.0028169 k( 102) = ( -0.2881966 0.2881966 0.2881966), wk = 0.0028169 k( 103) = ( -0.2811674 0.2811674 0.2811674), wk = 0.0028169 k( 104) = ( -0.2741383 0.2741383 0.2741383), wk = 0.0028169 k( 105) = ( -0.2671091 0.2671091 0.2671091), wk = 0.0028169 k( 106) = ( -0.2600799 0.2600799 0.2600799), wk = 0.0028169 k( 107) = ( -0.2530507 0.2530507 0.2530507), wk = 0.0028169 k( 108) = ( -0.2460215 0.2460215 0.2460215), wk = 0.0028169 k( 109) = ( -0.2389923 0.2389923 0.2389923), wk = 0.0028169 k( 110) = ( -0.2319632 0.2319632 0.2319631), wk = 0.0028169 k( 111) = ( -0.2249340 0.2249340 0.2249340), wk = 0.0028169 k( 112) = ( -0.2179048 0.2179048 0.2179048), wk = 0.0028169 k( 113) = ( -0.2108756 0.2108756 0.2108756), wk = 0.0028169 k( 114) = ( -0.2038464 0.2038464 0.2038464), wk = 0.0028169 k( 115) = ( -0.1968172 0.1968172 0.1968172), wk = 0.0028169 k( 116) = ( -0.1897880 0.1897880 0.1897880), wk = 0.0028169 k( 117) = ( -0.1827588 0.1827588 0.1827588), wk = 0.0028169 k( 118) = ( -0.1757297 0.1757297 0.1757297), wk = 0.0028169 k( 119) = ( -0.1687005 0.1687005 0.1687005), wk = 0.0028169 k( 120) = ( -0.1616713 0.1616713 0.1616713), wk = 0.0028169 k( 121) = ( -0.1546421 0.1546421 0.1546421), wk = 0.0028169 k( 122) = ( -0.1476129 0.1476129 0.1476129), wk = 0.0028169 k( 123) = ( -0.1405837 0.1405837 0.1405837), wk = 0.0028169 k( 124) = ( -0.1335545 0.1335545 0.1335545), wk = 0.0028169 k( 125) = ( -0.1265254 0.1265254 0.1265254), wk = 0.0028169 k( 126) = ( -0.1194962 0.1194962 0.1194962), wk = 0.0028169 k( 127) = ( -0.1124670 0.1124670 0.1124670), wk = 0.0028169 k( 128) = ( -0.1054378 0.1054378 0.1054378), wk = 0.0028169 k( 129) = ( -0.0984086 0.0984086 0.0984086), wk = 0.0028169 k( 130) = ( -0.0913794 0.0913794 0.0913794), wk = 0.0028169 k( 131) = ( -0.0843502 0.0843502 0.0843502), wk = 0.0028169 k( 132) = ( -0.0773211 0.0773210 0.0773211), wk = 0.0028169 k( 133) = ( -0.0702919 0.0702919 0.0702919), wk = 0.0028169 k( 134) = ( -0.0632627 0.0632627 0.0632627), wk = 0.0028169 k( 135) = ( -0.0562335 0.0562335 0.0562335), wk = 0.0028169 k( 136) = ( -0.0492043 0.0492043 0.0492043), wk = 0.0028169 k( 137) = ( -0.0421751 0.0421751 0.0421751), wk = 0.0028169 k( 138) = ( -0.0351459 0.0351459 0.0351459), wk = 0.0028169 k( 139) = ( -0.0281167 0.0281167 0.0281167), wk = 0.0028169 k( 140) = ( -0.0210876 0.0210876 0.0210876), wk = 0.0028169 k( 141) = ( -0.0140584 0.0140584 0.0140584), wk = 0.0028169 k( 142) = ( -0.0070292 0.0070292 0.0070292), wk = 0.0028169 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028169 k( 145) = ( 0.0119048 0.0119048 -0.0119048), wk = 0.0028169 k( 146) = ( 0.0238095 0.0238095 -0.0238095), wk = 0.0028169 k( 147) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0028169 k( 148) = ( 0.0476191 0.0476190 -0.0476190), wk = 0.0028169 k( 149) = ( 0.0595238 0.0595238 -0.0595238), wk = 0.0028169 k( 150) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0028169 k( 151) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0028169 k( 152) = ( 0.0952381 0.0952381 -0.0952381), wk = 0.0028169 k( 153) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0028169 k( 154) = ( 0.1190476 0.1190476 -0.1190476), wk = 0.0028169 k( 155) = ( 0.1309524 0.1309524 -0.1309524), wk = 0.0028169 k( 156) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0028169 k( 157) = ( 0.1547619 0.1547619 -0.1547619), wk = 0.0028169 k( 158) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0028169 k( 159) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0028169 k( 160) = ( 0.1904762 0.1904762 -0.1904762), wk = 0.0028169 k( 161) = ( 0.2023810 0.2023810 -0.2023810), wk = 0.0028169 k( 162) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0028169 k( 163) = ( 0.2261905 0.2261905 -0.2261905), wk = 0.0028169 k( 164) = ( 0.2380952 0.2380952 -0.2380952), wk = 0.0028169 k( 165) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0028169 k( 166) = ( 0.2619048 0.2619048 -0.2619048), wk = 0.0028169 k( 167) = ( 0.2738095 0.2738095 -0.2738095), wk = 0.0028169 k( 168) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0028169 k( 169) = ( 0.2976190 0.2976190 -0.2976190), wk = 0.0028169 k( 170) = ( 0.3095238 0.3095238 -0.3095238), wk = 0.0028169 k( 171) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0028169 k( 172) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0028169 k( 173) = ( 0.3452381 0.3452381 -0.3452381), wk = 0.0028169 k( 174) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0028169 k( 175) = ( 0.3690476 0.3690476 -0.3690476), wk = 0.0028169 k( 176) = ( 0.3809524 0.3809524 -0.3809524), wk = 0.0028169 k( 177) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0028169 k( 178) = ( 0.4047619 0.4047619 -0.4047619), wk = 0.0028169 k( 179) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0028169 k( 180) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0028169 k( 181) = ( 0.4404762 0.4404762 -0.4404762), wk = 0.0028169 k( 182) = ( 0.4523810 0.4523810 -0.4523810), wk = 0.0028169 k( 183) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0028169 k( 184) = ( 0.4761905 0.4761905 -0.4761905), wk = 0.0028169 k( 185) = ( 0.4880952 0.4880952 -0.4880952), wk = 0.0028169 k( 186) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028169 k( 187) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028169 k( 188) = ( 0.4929305 0.5070695 -0.4929305), wk = 0.0028169 k( 189) = ( 0.4858610 0.5141391 -0.4858610), wk = 0.0028169 k( 190) = ( 0.4787914 0.5212086 -0.4787914), wk = 0.0028169 k( 191) = ( 0.4717219 0.5282781 -0.4717219), wk = 0.0028169 k( 192) = ( 0.4646524 0.5353476 -0.4646524), wk = 0.0028169 k( 193) = ( 0.4575828 0.5424172 -0.4575828), wk = 0.0028169 k( 194) = ( 0.4505133 0.5494867 -0.4505133), wk = 0.0028169 k( 195) = ( 0.4434438 0.5565562 -0.4434438), wk = 0.0028169 k( 196) = ( 0.4363743 0.5636257 -0.4363743), wk = 0.0028169 k( 197) = ( 0.4293048 0.5706952 -0.4293048), wk = 0.0028169 k( 198) = ( 0.4222352 0.5777648 -0.4222352), wk = 0.0028169 k( 199) = ( 0.4151657 0.5848343 -0.4151657), wk = 0.0028169 k( 200) = ( 0.4080962 0.5919038 -0.4080962), wk = 0.0028169 k( 201) = ( 0.4010267 0.5989733 -0.4010267), wk = 0.0028169 k( 202) = ( 0.3939571 0.6060429 -0.3939571), wk = 0.0028169 k( 203) = ( 0.3868876 0.6131124 -0.3868876), wk = 0.0028169 k( 204) = ( 0.3798181 0.6201819 -0.3798181), wk = 0.0028169 k( 205) = ( 0.3727486 0.6272514 -0.3727486), wk = 0.0028169 k( 206) = ( 0.3656790 0.6343210 -0.3656790), wk = 0.0028169 k( 207) = ( 0.3586095 0.6413905 -0.3586095), wk = 0.0028169 k( 208) = ( 0.3515400 0.6484600 -0.3515400), wk = 0.0028169 k( 209) = ( 0.3444705 0.6555295 -0.3444705), wk = 0.0028169 k( 210) = ( 0.3374009 0.6625991 -0.3374009), wk = 0.0028169 k( 211) = ( 0.3374009 0.6625991 -0.3374009), wk = 0.0028169 k( 212) = ( 0.3233426 0.6558241 -0.3233426), wk = 0.0028169 k( 213) = ( 0.3092842 0.6490491 -0.3092842), wk = 0.0028169 k( 214) = ( 0.2952258 0.6422742 -0.2952258), wk = 0.0028169 k( 215) = ( 0.2811674 0.6354992 -0.2811674), wk = 0.0028169 k( 216) = ( 0.2671091 0.6287243 -0.2671091), wk = 0.0028169 k( 217) = ( 0.2530507 0.6219493 -0.2530507), wk = 0.0028169 k( 218) = ( 0.2389923 0.6151743 -0.2389923), wk = 0.0028169 k( 219) = ( 0.2249340 0.6083994 -0.2249340), wk = 0.0028169 k( 220) = ( 0.2108756 0.6016244 -0.2108756), wk = 0.0028169 k( 221) = ( 0.1968172 0.5948494 -0.1968172), wk = 0.0028169 k( 222) = ( 0.1827588 0.5880745 -0.1827588), wk = 0.0028169 k( 223) = ( 0.1687005 0.5812995 -0.1687005), wk = 0.0028169 k( 224) = ( 0.1546421 0.5745246 -0.1546421), wk = 0.0028169 k( 225) = ( 0.1405837 0.5677496 -0.1405837), wk = 0.0028169 k( 226) = ( 0.1265254 0.5609747 -0.1265254), wk = 0.0028169 k( 227) = ( 0.1124670 0.5541997 -0.1124670), wk = 0.0028169 k( 228) = ( 0.0984086 0.5474247 -0.0984086), wk = 0.0028169 k( 229) = ( 0.0843502 0.5406498 -0.0843502), wk = 0.0028169 k( 230) = ( 0.0702919 0.5338748 -0.0702919), wk = 0.0028169 k( 231) = ( 0.0562335 0.5270998 -0.0562335), wk = 0.0028169 k( 232) = ( 0.0421751 0.5203249 -0.0421751), wk = 0.0028169 k( 233) = ( 0.0281167 0.5135499 -0.0281167), wk = 0.0028169 k( 234) = ( 0.0140584 0.5067750 -0.0140584), wk = 0.0028169 k( 235) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028169 k( 236) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028169 k( 237) = ( 0.0071429 0.4928571 0.0071429), wk = 0.0028169 k( 238) = ( 0.0142857 0.4857143 0.0142857), wk = 0.0028169 k( 239) = ( 0.0214286 0.4785714 0.0214286), wk = 0.0028169 k( 240) = ( 0.0285714 0.4714286 0.0285714), wk = 0.0028169 k( 241) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0028169 k( 242) = ( 0.0428571 0.4571429 0.0428571), wk = 0.0028169 k( 243) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0028169 k( 244) = ( 0.0571429 0.4428571 0.0571429), wk = 0.0028169 k( 245) = ( 0.0642857 0.4357143 0.0642857), wk = 0.0028169 k( 246) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0028169 k( 247) = ( 0.0785714 0.4214286 0.0785714), wk = 0.0028169 k( 248) = ( 0.0857143 0.4142857 0.0857143), wk = 0.0028169 k( 249) = ( 0.0928571 0.4071429 0.0928571), wk = 0.0028169 k( 250) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0028169 k( 251) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0028169 k( 252) = ( 0.1142857 0.3857143 0.1142857), wk = 0.0028169 k( 253) = ( 0.1214286 0.3785714 0.1214286), wk = 0.0028169 k( 254) = ( 0.1285714 0.3714286 0.1285714), wk = 0.0028169 k( 255) = ( 0.1357143 0.3642857 0.1357143), wk = 0.0028169 k( 256) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0028169 k( 257) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0028169 k( 258) = ( 0.1571429 0.3428571 0.1571429), wk = 0.0028169 k( 259) = ( 0.1642857 0.3357143 0.1642857), wk = 0.0028169 k( 260) = ( 0.1714286 0.3285714 0.1714286), wk = 0.0028169 k( 261) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0028169 k( 262) = ( 0.1857143 0.3142857 0.1857143), wk = 0.0028169 k( 263) = ( 0.1928571 0.3071429 0.1928571), wk = 0.0028169 k( 264) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0028169 k( 265) = ( 0.2071429 0.2928571 0.2071429), wk = 0.0028169 k( 266) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0028169 k( 267) = ( 0.2214286 0.2785714 0.2214286), wk = 0.0028169 k( 268) = ( 0.2285714 0.2714286 0.2285714), wk = 0.0028169 k( 269) = ( 0.2357143 0.2642857 0.2357143), wk = 0.0028169 k( 270) = ( 0.2428571 0.2571429 0.2428571), wk = 0.0028169 k( 271) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028169 k( 272) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028169 k( 273) = ( 0.2592593 0.2592593 0.2342666), wk = 0.0028169 k( 274) = ( 0.2685185 0.2685185 0.2185332), wk = 0.0028169 k( 275) = ( 0.2777778 0.2777778 0.2027998), wk = 0.0028169 k( 276) = ( 0.2870370 0.2870370 0.1870664), wk = 0.0028169 k( 277) = ( 0.2962963 0.2962963 0.1713330), wk = 0.0028169 k( 278) = ( 0.3055556 0.3055556 0.1555996), wk = 0.0028169 k( 279) = ( 0.3148148 0.3148148 0.1398662), wk = 0.0028169 k( 280) = ( 0.3240741 0.3240741 0.1241328), wk = 0.0028169 k( 281) = ( 0.3333333 0.3333333 0.1083994), wk = 0.0028169 k( 282) = ( 0.3425926 0.3425926 0.0926660), wk = 0.0028169 k( 283) = ( 0.3518519 0.3518519 0.0769326), wk = 0.0028169 k( 284) = ( 0.3611111 0.3611111 0.0611992), wk = 0.0028169 k( 285) = ( 0.3703704 0.3703704 0.0454658), wk = 0.0028169 k( 286) = ( 0.3796296 0.3796296 0.0297324), wk = 0.0028169 k( 287) = ( 0.3888889 0.3888889 0.0139990), wk = 0.0028169 k( 288) = ( 0.3981481 0.3981481 -0.0017344), wk = 0.0028169 k( 289) = ( 0.4074074 0.4074074 -0.0174679), wk = 0.0028169 k( 290) = ( 0.4166667 0.4166667 -0.0332013), wk = 0.0028169 k( 291) = ( 0.4259259 0.4259259 -0.0489346), wk = 0.0028169 k( 292) = ( 0.4351852 0.4351852 -0.0646681), wk = 0.0028169 k( 293) = ( 0.4444444 0.4444444 -0.0804015), wk = 0.0028169 k( 294) = ( 0.4537037 0.4537037 -0.0961349), wk = 0.0028169 k( 295) = ( 0.4629630 0.4629630 -0.1118683), wk = 0.0028169 k( 296) = ( 0.4722222 0.4722222 -0.1276017), wk = 0.0028169 k( 297) = ( 0.4814815 0.4814815 -0.1433351), wk = 0.0028169 k( 298) = ( 0.4907407 0.4907407 -0.1590685), wk = 0.0028169 k( 299) = ( 0.5000000 0.5000000 -0.1748019), wk = 0.0028169 k( 300) = ( 0.5000000 0.5000000 -0.1748019), wk = 0.0028169 k( 301) = ( 0.5000000 0.5000000 -0.1846564), wk = 0.0028169 k( 302) = ( 0.5000000 0.5000000 -0.1945109), wk = 0.0028169 k( 303) = ( 0.5000000 0.5000000 -0.2043653), wk = 0.0028169 k( 304) = ( 0.5000000 0.5000000 -0.2142198), wk = 0.0028169 k( 305) = ( 0.5000000 0.5000000 -0.2240743), wk = 0.0028169 k( 306) = ( 0.5000000 0.5000000 -0.2339288), wk = 0.0028169 k( 307) = ( 0.5000000 0.5000000 -0.2437833), wk = 0.0028169 k( 308) = ( 0.5000000 0.5000000 -0.2536378), wk = 0.0028169 k( 309) = ( 0.5000000 0.5000000 -0.2634923), wk = 0.0028169 k( 310) = ( 0.5000000 0.5000000 -0.2733468), wk = 0.0028169 k( 311) = ( 0.5000000 0.5000000 -0.2832013), wk = 0.0028169 k( 312) = ( 0.5000000 0.5000000 -0.2930557), wk = 0.0028169 k( 313) = ( 0.5000000 0.5000000 -0.3029102), wk = 0.0028169 k( 314) = ( 0.5000000 0.5000000 -0.3127647), wk = 0.0028169 k( 315) = ( 0.5000000 0.5000000 -0.3226192), wk = 0.0028169 k( 316) = ( 0.5000000 0.5000000 -0.3324737), wk = 0.0028169 k( 317) = ( 0.5000000 0.5000000 -0.3423282), wk = 0.0028169 k( 318) = ( 0.5000000 0.5000000 -0.3521827), wk = 0.0028169 k( 319) = ( 0.5000000 0.5000000 -0.3620372), wk = 0.0028169 k( 320) = ( 0.5000000 0.5000000 -0.3718917), wk = 0.0028169 k( 321) = ( 0.5000000 0.5000000 -0.3817461), wk = 0.0028169 k( 322) = ( 0.5000000 0.5000000 -0.3916006), wk = 0.0028169 k( 323) = ( 0.5000000 0.5000000 -0.4014551), wk = 0.0028169 k( 324) = ( 0.5000000 0.5000000 -0.4113096), wk = 0.0028169 k( 325) = ( 0.5000000 0.5000000 -0.4211641), wk = 0.0028169 k( 326) = ( 0.5000000 0.5000000 -0.4310186), wk = 0.0028169 k( 327) = ( 0.5000000 0.5000000 -0.4408731), wk = 0.0028169 k( 328) = ( 0.5000000 0.5000000 -0.4507276), wk = 0.0028169 k( 329) = ( 0.5000000 0.5000000 -0.4605821), wk = 0.0028169 k( 330) = ( 0.5000000 0.5000000 -0.4704365), wk = 0.0028169 k( 331) = ( 0.5000000 0.5000000 -0.4802910), wk = 0.0028169 k( 332) = ( 0.5000000 0.5000000 -0.4901455), wk = 0.0028169 k( 333) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028169 k( 334) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028169 k( 335) = ( 0.0119048 0.0119048 0.4880952), wk = 0.0028169 k( 336) = ( 0.0238095 0.0238095 0.4761905), wk = 0.0028169 k( 337) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0028169 k( 338) = ( 0.0476191 0.0476190 0.4523809), wk = 0.0028169 k( 339) = ( 0.0595238 0.0595238 0.4404762), wk = 0.0028169 k( 340) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0028169 k( 341) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0028169 k( 342) = ( 0.0952381 0.0952381 0.4047619), wk = 0.0028169 k( 343) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0028169 k( 344) = ( 0.1190476 0.1190476 0.3809524), wk = 0.0028169 k( 345) = ( 0.1309524 0.1309524 0.3690476), wk = 0.0028169 k( 346) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0028169 k( 347) = ( 0.1547619 0.1547619 0.3452381), wk = 0.0028169 k( 348) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0028169 k( 349) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0028169 k( 350) = ( 0.1904762 0.1904762 0.3095238), wk = 0.0028169 k( 351) = ( 0.2023810 0.2023810 0.2976190), wk = 0.0028169 k( 352) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0028169 k( 353) = ( 0.2261905 0.2261905 0.2738095), wk = 0.0028169 k( 354) = ( 0.2380952 0.2380952 0.2619048), wk = 0.0028169 k( 355) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028169 Dense grid: 50717 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 21915 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 120, 62) NL pseudopotentials 0.18 Mb ( 60, 192) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1058) G-vector shells 0.00 Mb ( 510) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 120, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.36 Mb ( 192, 2, 62) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./CuPN2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.0 secs Computing kpt #: 2 total cpu time spent up to now is 45.4 secs Computing kpt #: 3 total cpu time spent up to now is 47.6 secs Computing kpt #: 4 total cpu time spent up to now is 49.8 secs Computing kpt #: 5 total cpu time spent up to now is 52.0 secs Computing kpt #: 6 total cpu time spent up to now is 54.3 secs Computing kpt #: 7 total cpu time spent up to now is 56.6 secs Computing kpt #: 8 total cpu time spent up to now is 59.0 secs Computing kpt #: 9 total cpu time spent up to now is 61.7 secs Computing kpt #: 10 total cpu time spent up to now is 64.5 secs Computing kpt #: 11 total cpu time spent up to now is 66.8 secs Computing kpt #: 12 total cpu time spent up to now is 68.9 secs Computing kpt #: 13 total cpu time spent up to now is 71.7 secs Computing kpt #: 14 total cpu time spent up to now is 74.0 secs Computing kpt #: 15 total cpu time spent up to now is 76.4 secs Computing kpt #: 16 total cpu time spent up to now is 78.9 secs Computing kpt #: 17 total cpu time spent up to now is 81.2 secs Computing kpt #: 18 total cpu time spent up to now is 83.7 secs Computing kpt #: 19 total cpu time spent up to now is 86.2 secs Computing kpt #: 20 total cpu time spent up to now is 88.6 secs Computing kpt #: 21 total cpu time spent up to now is 91.0 secs Computing kpt #: 22 total cpu time spent up to now is 93.6 secs Computing kpt #: 23 total cpu time spent up to now is 96.2 secs Computing kpt #: 24 total cpu time spent up to now is 98.8 secs Computing kpt #: 25 total cpu time spent up to now is 101.3 secs Computing kpt #: 26 total cpu time spent up to now is 103.9 secs Computing kpt #: 27 total cpu time spent up to now is 106.3 secs Computing kpt #: 28 total cpu time spent up to now is 109.1 secs Computing kpt #: 29 total cpu time spent up to now is 111.6 secs Computing kpt #: 30 total cpu time spent up to now is 114.1 secs Computing kpt #: 31 total cpu time spent up to now is 116.5 secs Computing kpt #: 32 total cpu time spent up to now is 118.9 secs Computing kpt #: 33 total cpu time spent up to now is 121.8 secs Computing kpt #: 34 total cpu time spent up to now is 124.7 secs Computing kpt #: 35 total cpu time spent up to now is 128.4 secs Computing kpt #: 36 total cpu time spent up to now is 130.7 secs Computing kpt #: 37 total cpu time spent up to now is 133.3 secs Computing kpt #: 38 total cpu time spent up to now is 136.2 secs Computing kpt #: 39 total cpu time spent up to now is 139.8 secs Computing kpt #: 40 total cpu time spent up to now is 142.1 secs Computing kpt #: 41 total cpu time spent up to now is 144.4 secs Computing kpt #: 42 total cpu time spent up to now is 146.9 secs Computing kpt #: 43 total cpu time spent up to now is 150.0 secs Computing kpt #: 44 total cpu time spent up to now is 153.8 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.2 secs Computing kpt #: 46 total cpu time spent up to now is 161.9 secs Computing kpt #: 47 total cpu time spent up to now is 166.5 secs Computing kpt #: 48 total cpu time spent up to now is 168.9 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 174.3 secs Computing kpt #: 50 total cpu time spent up to now is 177.9 secs Computing kpt #: 51 total cpu time spent up to now is 181.6 secs Computing kpt #: 52 total cpu time spent up to now is 185.1 secs Computing kpt #: 53 total cpu time spent up to now is 189.5 secs Computing kpt #: 54 total cpu time spent up to now is 193.9 secs Computing kpt #: 55 total cpu time spent up to now is 198.2 secs Computing kpt #: 56 total cpu time spent up to now is 202.5 secs Computing kpt #: 57 total cpu time spent up to now is 207.6 secs Computing kpt #: 58 total cpu time spent up to now is 211.8 secs Computing kpt #: 59 total cpu time spent up to now is 216.2 secs Computing kpt #: 60 total cpu time spent up to now is 220.4 secs Computing kpt #: 61 total cpu time spent up to now is 224.1 secs Computing kpt #: 62 total cpu time spent up to now is 228.4 secs Computing kpt #: 63 total cpu time spent up to now is 232.1 secs Computing kpt #: 64 total cpu time spent up to now is 235.7 secs Computing kpt #: 65 total cpu time spent up to now is 239.0 secs Computing kpt #: 66 total cpu time spent up to now is 242.7 secs Computing kpt #: 67 total cpu time spent up to now is 246.2 secs Computing kpt #: 68 total cpu time spent up to now is 249.2 secs Computing kpt #: 69 total cpu time spent up to now is 252.1 secs Computing kpt #: 70 total cpu time spent up to now is 255.2 secs Computing kpt #: 71 total cpu time spent up to now is 258.4 secs Computing kpt #: 72 total cpu time spent up to now is 261.3 secs Computing kpt #: 73 total cpu time spent up to now is 265.0 secs Computing kpt #: 74 total cpu time spent up to now is 268.1 secs Computing kpt #: 75 total cpu time spent up to now is 270.7 secs Computing kpt #: 76 total cpu time spent up to now is 272.9 secs Computing kpt #: 77 total cpu time spent up to now is 275.6 secs Computing kpt #: 78 total cpu time spent up to now is 277.9 secs Computing kpt #: 79 total cpu time spent up to now is 280.1 secs Computing kpt #: 80 total cpu time spent up to now is 282.3 secs Computing kpt #: 81 total cpu time spent up to now is 284.6 secs Computing kpt #: 82 total cpu time spent up to now is 286.8 secs Computing kpt #: 83 total cpu time spent up to now is 288.9 secs Computing kpt #: 84 total cpu time spent up to now is 291.0 secs Computing kpt #: 85 total cpu time spent up to now is 293.1 secs Computing kpt #: 86 total cpu time spent up to now is 295.0 secs Computing kpt #: 87 total cpu time spent up to now is 297.2 secs Computing kpt #: 88 total cpu time spent up to now is 299.1 secs Computing kpt #: 89 total cpu time spent up to now is 301.2 secs Computing kpt #: 90 total cpu time spent up to now is 303.3 secs Computing kpt #: 91 total cpu time spent up to now is 305.3 secs Computing kpt #: 92 total cpu time spent up to now is 307.4 secs Computing kpt #: 93 total cpu time spent up to now is 309.3 secs Computing kpt #: 94 total cpu time spent up to now is 311.3 secs Computing kpt #: 95 total cpu time spent up to now is 313.3 secs Computing kpt #: 96 total cpu time spent up to now is 315.3 secs Computing kpt #: 97 total cpu time spent up to now is 317.4 secs Computing kpt #: 98 total cpu time spent up to now is 319.7 secs Computing kpt #: 99 total cpu time spent up to now is 322.0 secs Computing kpt #: 100 total cpu time spent up to now is 324.2 secs Computing kpt #: 101 total cpu time spent up to now is 326.5 secs Computing kpt #: 102 total cpu time spent up to now is 329.0 secs Computing kpt #: 103 total cpu time spent up to now is 331.7 secs Computing kpt #: 104 total cpu time spent up to now is 334.3 secs Computing kpt #: 105 total cpu time spent up to now is 337.1 secs Computing kpt #: 106 total cpu time spent up to now is 339.5 secs Computing kpt #: 107 total cpu time spent up to now is 341.7 secs Computing kpt #: 108 total cpu time spent up to now is 344.1 secs Computing kpt #: 109 total cpu time spent up to now is 346.4 secs Computing kpt #: 110 total cpu time spent up to now is 348.8 secs Computing kpt #: 111 total cpu time spent up to now is 351.0 secs Computing kpt #: 112 total cpu time spent up to now is 353.3 secs Computing kpt #: 113 total cpu time spent up to now is 355.5 secs Computing kpt #: 114 total cpu time spent up to now is 357.8 secs Computing kpt #: 115 total cpu time spent up to now is 360.0 secs Computing kpt #: 116 total cpu time spent up to now is 362.1 secs Computing kpt #: 117 total cpu time spent up to now is 364.3 secs Computing kpt #: 118 total cpu time spent up to now is 366.4 secs Computing kpt #: 119 total cpu time spent up to now is 368.5 secs Computing kpt #: 120 total cpu time spent up to now is 370.6 secs Computing kpt #: 121 total cpu time spent up to now is 372.8 secs Computing kpt #: 122 total cpu time spent up to now is 374.8 secs Computing kpt #: 123 total cpu time spent up to now is 377.0 secs Computing kpt #: 124 total cpu time spent up to now is 379.2 secs Computing kpt #: 125 total cpu time spent up to now is 381.4 secs Computing kpt #: 126 total cpu time spent up to now is 383.6 secs Computing kpt #: 127 total cpu time spent up to now is 385.7 secs Computing kpt #: 128 total cpu time spent up to now is 388.0 secs Computing kpt #: 129 total cpu time spent up to now is 390.3 secs Computing kpt #: 130 total cpu time spent up to now is 392.8 secs Computing kpt #: 131 total cpu time spent up to now is 395.1 secs Computing kpt #: 132 total cpu time spent up to now is 397.3 secs Computing kpt #: 133 total cpu time spent up to now is 399.9 secs Computing kpt #: 134 total cpu time spent up to now is 402.2 secs Computing kpt #: 135 total cpu time spent up to now is 404.5 secs Computing kpt #: 136 total cpu time spent up to now is 406.8 secs Computing kpt #: 137 total cpu time spent up to now is 409.2 secs Computing kpt #: 138 total cpu time spent up to now is 411.5 secs Computing kpt #: 139 total cpu time spent up to now is 413.9 secs Computing kpt #: 140 total cpu time spent up to now is 416.2 secs Computing kpt #: 141 total cpu time spent up to now is 418.4 secs Computing kpt #: 142 total cpu time spent up to now is 420.5 secs Computing kpt #: 143 total cpu time spent up to now is 422.7 secs Computing kpt #: 144 total cpu time spent up to now is 425.5 secs Computing kpt #: 145 total cpu time spent up to now is 427.9 secs Computing kpt #: 146 total cpu time spent up to now is 430.1 secs Computing kpt #: 147 total cpu time spent up to now is 432.3 secs Computing kpt #: 148 total cpu time spent up to now is 434.4 secs Computing kpt #: 149 total cpu time spent up to now is 436.5 secs Computing kpt #: 150 total cpu time spent up to now is 438.4 secs Computing kpt #: 151 total cpu time spent up to now is 440.4 secs Computing kpt #: 152 total cpu time spent up to now is 442.6 secs Computing kpt #: 153 total cpu time spent up to now is 444.9 secs Computing kpt #: 154 total cpu time spent up to now is 447.2 secs Computing kpt #: 155 total cpu time spent up to now is 449.3 secs Computing kpt #: 156 total cpu time spent up to now is 451.4 secs Computing kpt #: 157 total cpu time spent up to now is 453.4 secs Computing kpt #: 158 total cpu time spent up to now is 455.4 secs Computing kpt #: 159 total cpu time spent up to now is 457.9 secs Computing kpt #: 160 total cpu time spent up to now is 459.8 secs Computing kpt #: 161 total cpu time spent up to now is 461.8 secs Computing kpt #: 162 total cpu time spent up to now is 463.7 secs Computing kpt #: 163 total cpu time spent up to now is 465.7 secs Computing kpt #: 164 total cpu time spent up to now is 467.6 secs Computing kpt #: 165 total cpu time spent up to now is 469.5 secs Computing kpt #: 166 total cpu time spent up to now is 471.6 secs Computing kpt #: 167 total cpu time spent up to now is 473.7 secs Computing kpt #: 168 total cpu time spent up to now is 476.1 secs Computing kpt #: 169 total cpu time spent up to now is 478.6 secs Computing kpt #: 170 total cpu time spent up to now is 480.5 secs Computing kpt #: 171 total cpu time spent up to now is 482.3 secs Computing kpt #: 172 total cpu time spent up to now is 484.2 secs Computing kpt #: 173 total cpu time spent up to now is 486.2 secs Computing kpt #: 174 total cpu time spent up to now is 488.1 secs Computing kpt #: 175 total cpu time spent up to now is 490.0 secs Computing kpt #: 176 total cpu time spent up to now is 491.9 secs Computing kpt #: 177 total cpu time spent up to now is 494.0 secs Computing kpt #: 178 total cpu time spent up to now is 495.9 secs Computing kpt #: 179 total cpu time spent up to now is 498.0 secs Computing kpt #: 180 total cpu time spent up to now is 500.1 secs Computing kpt #: 181 total cpu time spent up to now is 502.3 secs Computing kpt #: 182 total cpu time spent up to now is 504.6 secs Computing kpt #: 183 total cpu time spent up to now is 507.0 secs Computing kpt #: 184 total cpu time spent up to now is 509.6 secs Computing kpt #: 185 total cpu time spent up to now is 512.1 secs Computing kpt #: 186 total cpu time spent up to now is 514.2 secs Computing kpt #: 187 total cpu time spent up to now is 516.7 secs Computing kpt #: 188 total cpu time spent up to now is 519.8 secs Computing kpt #: 189 total cpu time spent up to now is 522.7 secs Computing kpt #: 190 total cpu time spent up to now is 525.6 secs Computing kpt #: 191 total cpu time spent up to now is 528.5 secs Computing kpt #: 192 total cpu time spent up to now is 531.2 secs Computing kpt #: 193 total cpu time spent up to now is 534.0 secs Computing kpt #: 194 total cpu time spent up to now is 536.6 secs Computing kpt #: 195 total cpu time spent up to now is 539.4 secs Computing kpt #: 196 total cpu time spent up to now is 541.3 secs Computing kpt #: 197 total cpu time spent up to now is 543.5 secs Computing kpt #: 198 total cpu time spent up to now is 545.8 secs Computing kpt #: 199 total cpu time spent up to now is 548.1 secs Computing kpt #: 200 total cpu time spent up to now is 550.3 secs Computing kpt #: 201 total cpu time spent up to now is 552.4 secs Computing kpt #: 202 total cpu time spent up to now is 554.4 secs Computing kpt #: 203 total cpu time spent up to now is 556.4 secs Computing kpt #: 204 total cpu time spent up to now is 558.4 secs Computing kpt #: 205 total cpu time spent up to now is 560.4 secs Computing kpt #: 206 total cpu time spent up to now is 563.1 secs Computing kpt #: 207 total cpu time spent up to now is 565.9 secs Computing kpt #: 208 total cpu time spent up to now is 569.1 secs Computing kpt #: 209 total cpu time spent up to now is 571.2 secs Computing kpt #: 210 total cpu time spent up to now is 573.2 secs Computing kpt #: 211 total cpu time spent up to now is 575.1 secs Computing kpt #: 212 total cpu time spent up to now is 577.3 secs Computing kpt #: 213 total cpu time spent up to now is 579.5 secs Computing kpt #: 214 total cpu time spent up to now is 581.6 secs Computing kpt #: 215 total cpu time spent up to now is 583.8 secs Computing kpt #: 216 total cpu time spent up to now is 585.9 secs Computing kpt #: 217 total cpu time spent up to now is 588.2 secs Computing kpt #: 218 total cpu time spent up to now is 590.3 secs Computing kpt #: 219 total cpu time spent up to now is 592.5 secs Computing kpt #: 220 total cpu time spent up to now is 594.7 secs Computing kpt #: 221 total cpu time spent up to now is 596.9 secs Computing kpt #: 222 total cpu time spent up to now is 599.1 secs Computing kpt #: 223 total cpu time spent up to now is 601.4 secs Computing kpt #: 224 total cpu time spent up to now is 604.1 secs Computing kpt #: 225 total cpu time spent up to now is 606.8 secs Computing kpt #: 226 total cpu time spent up to now is 609.7 secs Computing kpt #: 227 total cpu time spent up to now is 612.6 secs Computing kpt #: 228 total cpu time spent up to now is 615.3 secs Computing kpt #: 229 total cpu time spent up to now is 617.9 secs Computing kpt #: 230 total cpu time spent up to now is 620.5 secs Computing kpt #: 231 total cpu time spent up to now is 623.1 secs Computing kpt #: 232 total cpu time spent up to now is 625.6 secs Computing kpt #: 233 total cpu time spent up to now is 628.1 secs Computing kpt #: 234 total cpu time spent up to now is 630.6 secs Computing kpt #: 235 total cpu time spent up to now is 633.1 secs Computing kpt #: 236 total cpu time spent up to now is 635.4 secs Computing kpt #: 237 total cpu time spent up to now is 638.0 secs Computing kpt #: 238 total cpu time spent up to now is 640.3 secs Computing kpt #: 239 total cpu time spent up to now is 642.8 secs Computing kpt #: 240 total cpu time spent up to now is 645.3 secs Computing kpt #: 241 total cpu time spent up to now is 647.8 secs Computing kpt #: 242 total cpu time spent up to now is 650.3 secs Computing kpt #: 243 total cpu time spent up to now is 652.9 secs Computing kpt #: 244 total cpu time spent up to now is 655.6 secs Computing kpt #: 245 total cpu time spent up to now is 658.5 secs Computing kpt #: 246 total cpu time spent up to now is 661.2 secs Computing kpt #: 247 total cpu time spent up to now is 664.0 secs Computing kpt #: 248 total cpu time spent up to now is 666.7 secs Computing kpt #: 249 total cpu time spent up to now is 669.3 secs Computing kpt #: 250 total cpu time spent up to now is 671.9 secs Computing kpt #: 251 total cpu time spent up to now is 674.4 secs Computing kpt #: 252 total cpu time spent up to now is 676.9 secs Computing kpt #: 253 total cpu time spent up to now is 679.3 secs Computing kpt #: 254 total cpu time spent up to now is 681.8 secs Computing kpt #: 255 total cpu time spent up to now is 684.2 secs Computing kpt #: 256 total cpu time spent up to now is 686.6 secs Computing kpt #: 257 total cpu time spent up to now is 689.1 secs Computing kpt #: 258 total cpu time spent up to now is 691.6 secs Computing kpt #: 259 total cpu time spent up to now is 694.0 secs Computing kpt #: 260 total cpu time spent up to now is 696.7 secs Computing kpt #: 261 total cpu time spent up to now is 699.2 secs Computing kpt #: 262 total cpu time spent up to now is 701.6 secs Computing kpt #: 263 total cpu time spent up to now is 704.0 secs Computing kpt #: 264 total cpu time spent up to now is 706.5 secs Computing kpt #: 265 total cpu time spent up to now is 709.2 secs Computing kpt #: 266 total cpu time spent up to now is 711.8 secs Computing kpt #: 267 total cpu time spent up to now is 714.4 secs Computing kpt #: 268 total cpu time spent up to now is 717.0 secs Computing kpt #: 269 total cpu time spent up to now is 719.6 secs Computing kpt #: 270 total cpu time spent up to now is 722.5 secs Computing kpt #: 271 total cpu time spent up to now is 726.0 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 731.7 secs Computing kpt #: 273 total cpu time spent up to now is 734.6 secs Computing kpt #: 274 total cpu time spent up to now is 737.4 secs Computing kpt #: 275 total cpu time spent up to now is 740.1 secs Computing kpt #: 276 total cpu time spent up to now is 742.5 secs Computing kpt #: 277 total cpu time spent up to now is 744.8 secs Computing kpt #: 278 total cpu time spent up to now is 747.1 secs Computing kpt #: 279 total cpu time spent up to now is 749.4 secs Computing kpt #: 280 total cpu time spent up to now is 751.8 secs Computing kpt #: 281 total cpu time spent up to now is 754.0 secs Computing kpt #: 282 total cpu time spent up to now is 756.1 secs Computing kpt #: 283 total cpu time spent up to now is 758.3 secs Computing kpt #: 284 total cpu time spent up to now is 760.8 secs Computing kpt #: 285 total cpu time spent up to now is 763.0 secs Computing kpt #: 286 total cpu time spent up to now is 765.1 secs Computing kpt #: 287 total cpu time spent up to now is 767.3 secs Computing kpt #: 288 total cpu time spent up to now is 769.7 secs Computing kpt #: 289 total cpu time spent up to now is 773.2 secs Computing kpt #: 290 total cpu time spent up to now is 775.1 secs Computing kpt #: 291 total cpu time spent up to now is 777.1 secs Computing kpt #: 292 total cpu time spent up to now is 779.1 secs Computing kpt #: 293 total cpu time spent up to now is 781.2 secs Computing kpt #: 294 total cpu time spent up to now is 783.3 secs Computing kpt #: 295 total cpu time spent up to now is 785.4 secs Computing kpt #: 296 total cpu time spent up to now is 787.5 secs Computing kpt #: 297 total cpu time spent up to now is 790.0 secs Computing kpt #: 298 total cpu time spent up to now is 792.5 secs Computing kpt #: 299 total cpu time spent up to now is 795.7 secs Computing kpt #: 300 total cpu time spent up to now is 799.4 secs Computing kpt #: 301 total cpu time spent up to now is 802.6 secs Computing kpt #: 302 total cpu time spent up to now is 805.6 secs Computing kpt #: 303 total cpu time spent up to now is 808.7 secs Computing kpt #: 304 total cpu time spent up to now is 811.8 secs Computing kpt #: 305 total cpu time spent up to now is 814.7 secs Computing kpt #: 306 total cpu time spent up to now is 817.6 secs Computing kpt #: 307 total cpu time spent up to now is 820.7 secs Computing kpt #: 308 total cpu time spent up to now is 823.7 secs Computing kpt #: 309 total cpu time spent up to now is 826.8 secs Computing kpt #: 310 total cpu time spent up to now is 829.7 secs Computing kpt #: 311 total cpu time spent up to now is 832.9 secs Computing kpt #: 312 total cpu time spent up to now is 836.2 secs Computing kpt #: 313 total cpu time spent up to now is 839.2 secs Computing kpt #: 314 total cpu time spent up to now is 842.4 secs Computing kpt #: 315 total cpu time spent up to now is 845.5 secs Computing kpt #: 316 total cpu time spent up to now is 849.0 secs Computing kpt #: 317 total cpu time spent up to now is 852.8 secs Computing kpt #: 318 total cpu time spent up to now is 856.4 secs Computing kpt #: 319 total cpu time spent up to now is 860.1 secs Computing kpt #: 320 total cpu time spent up to now is 864.9 secs Computing kpt #: 321 total cpu time spent up to now is 869.4 secs Computing kpt #: 322 total cpu time spent up to now is 872.4 secs Computing kpt #: 323 total cpu time spent up to now is 875.5 secs Computing kpt #: 324 total cpu time spent up to now is 878.5 secs Computing kpt #: 325 total cpu time spent up to now is 882.2 secs Computing kpt #: 326 total cpu time spent up to now is 885.3 secs Computing kpt #: 327 total cpu time spent up to now is 888.9 secs Computing kpt #: 328 total cpu time spent up to now is 893.5 secs Computing kpt #: 329 total cpu time spent up to now is 897.4 secs Computing kpt #: 330 total cpu time spent up to now is 902.9 secs Computing kpt #: 331 total cpu time spent up to now is 905.9 secs Computing kpt #: 332 total cpu time spent up to now is 908.9 secs Computing kpt #: 333 total cpu time spent up to now is 911.0 secs Computing kpt #: 334 total cpu time spent up to now is 915.3 secs Computing kpt #: 335 total cpu time spent up to now is 919.6 secs Computing kpt #: 336 total cpu time spent up to now is 924.1 secs Computing kpt #: 337 total cpu time spent up to now is 927.5 secs Computing kpt #: 338 total cpu time spent up to now is 931.9 secs Computing kpt #: 339 total cpu time spent up to now is 934.3 secs Computing kpt #: 340 total cpu time spent up to now is 937.3 secs Computing kpt #: 341 total cpu time spent up to now is 940.2 secs Computing kpt #: 342 total cpu time spent up to now is 943.9 secs Computing kpt #: 343 total cpu time spent up to now is 947.4 secs Computing kpt #: 344 total cpu time spent up to now is 951.9 secs Computing kpt #: 345 total cpu time spent up to now is 956.3 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 961.5 secs Computing kpt #: 347 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 966.8 secs Computing kpt #: 348 total cpu time spent up to now is 971.1 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 976.4 secs Computing kpt #: 350 total cpu time spent up to now is 979.7 secs Computing kpt #: 351 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 984.9 secs Computing kpt #: 352 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 990.0 secs Computing kpt #: 353 total cpu time spent up to now is 993.2 secs Computing kpt #: 354 total cpu time spent up to now is 996.6 secs Computing kpt #: 355 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1001.7 secs ethr = 1.92E-11, avg # of iterations = 38.0 total cpu time spent up to now is 1001.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2743 PWs) bands (ev): -9.6804 -9.6804 -5.2229 -5.2229 -5.1319 -5.1319 -5.1214 -5.1214 -3.0319 -3.0319 2.0297 2.0297 2.0528 2.0528 2.4243 2.4243 4.8218 4.8218 5.1322 5.1322 5.6880 5.6880 7.1768 7.1768 7.1774 7.1774 7.4404 7.4404 8.0314 8.0314 8.0499 8.0499 9.8629 9.8629 9.9795 9.9795 10.1219 10.1219 10.4178 10.4178 10.4456 10.4456 10.5355 10.5355 10.7885 10.7885 11.2308 11.2308 11.2702 11.2702 11.3821 11.3821 13.4805 13.4805 13.6639 13.6639 17.4476 17.4476 17.4963 17.4963 17.6595 17.6595 k = 0.0000 0.0000 0.0156 ( 2737 PWs) bands (ev): -9.6797 -9.6797 -5.2237 -5.2230 -5.1345 -5.1334 -5.1231 -5.1230 -3.0283 -3.0283 2.0268 2.0294 2.0514 2.0515 2.4261 2.4277 4.8213 4.8216 5.1348 5.1350 5.6893 5.6896 7.1741 7.1742 7.1770 7.1773 7.4393 7.4397 8.0308 8.0309 8.0493 8.0496 9.8599 9.8656 9.9782 9.9809 10.1167 10.1265 10.4167 10.4187 10.4445 10.4467 10.5326 10.5390 10.7856 10.7910 11.2291 11.2298 11.2696 11.2708 11.3789 11.3846 13.4829 13.4864 13.6671 13.6675 17.4380 17.4384 17.4868 17.4873 17.6676 17.6695 k = 0.0000 0.0000 0.0312 ( 2737 PWs) bands (ev): -9.6774 -9.6774 -5.2256 -5.2242 -5.1425 -5.1402 -5.1263 -5.1262 -3.0176 -3.0176 2.0190 2.0243 2.0493 2.0498 2.4330 2.4360 4.8203 4.8209 5.1430 5.1433 5.6934 5.6941 7.1652 7.1657 7.1767 7.1775 7.4364 7.4372 8.0283 8.0285 8.0487 8.0493 9.8565 9.8681 9.9768 9.9824 10.1110 10.1307 10.4156 10.4195 10.4432 10.4476 10.5300 10.5429 10.7822 10.7932 11.2246 11.2258 11.2687 11.2713 11.3751 11.3863 13.4935 13.5004 13.6771 13.6778 17.4049 17.4067 17.4722 17.4729 17.6857 17.6886 k = 0.0000 0.0000 0.0468 ( 2731 PWs) bands (ev): -9.6737 -9.6737 -5.2292 -5.2266 -5.1572 -5.1536 -5.1294 -5.1292 -3.0000 -2.9999 2.0044 2.0115 2.0498 2.0501 2.4443 2.4484 4.8186 4.8195 5.1565 5.1570 5.7005 5.7015 7.1507 7.1513 7.1765 7.1777 7.4319 7.4329 8.0224 8.0228 8.0496 8.0503 9.8525 9.8702 9.9757 9.9839 10.1050 10.1345 10.4144 10.4202 10.4419 10.4483 10.5279 10.5473 10.7784 10.7950 11.2182 11.2195 11.2673 11.2713 11.3710 11.3871 13.5122 13.5223 13.6938 13.6947 17.3535 17.3561 17.4595 17.4613 17.7023 17.7057 k = 0.0000 0.0000 0.0624 ( 2739 PWs) bands (ev): -9.6684 -9.6684 -5.2357 -5.2312 -5.1769 -5.1715 -5.1328 -5.1324 -2.9759 -2.9757 1.9837 1.9919 2.0528 2.0531 2.4595 2.4643 4.8163 4.8174 5.1752 5.1760 5.7104 5.7118 7.1306 7.1314 7.1762 7.1778 7.4256 7.4270 8.0126 8.0131 8.0525 8.0534 9.8477 9.8719 9.9748 9.9855 10.0985 10.1378 10.4131 10.4205 10.4405 10.4487 10.5261 10.5518 10.7739 10.7964 11.2101 11.2113 11.2646 11.2707 11.3669 11.3869 13.5385 13.5516 13.7169 13.7182 17.2930 17.2961 17.4460 17.4488 17.7126 17.7163 k = 0.0000 0.0000 0.0779 ( 2743 PWs) bands (ev): -9.6616 -9.6616 -5.2482 -5.2414 -5.1976 -5.1899 -5.1368 -5.1360 -2.9456 -2.9454 1.9580 1.9670 2.0572 2.0582 2.4776 2.4830 4.8132 4.8147 5.1990 5.1999 5.7231 5.7248 7.1052 7.1062 7.1758 7.1779 7.4176 7.4193 7.9995 7.9999 8.0569 8.0580 9.8421 9.8732 9.9742 9.9873 10.0918 10.1410 10.4117 10.4205 10.4390 10.4489 10.5246 10.5567 10.7689 10.7975 11.2010 11.2021 11.2605 11.2694 11.3630 11.3860 13.5719 13.5877 13.7464 13.7481 17.2280 17.2314 17.4303 17.4338 17.6961 17.7037 k = 0.0000 0.0000 0.0935 ( 2743 PWs) bands (ev): -9.6534 -9.6534 -5.2706 -5.2635 -5.2125 -5.2042 -5.1414 -5.1404 -2.9096 -2.9094 1.9286 1.9381 2.0632 2.0647 2.4982 2.5038 4.8094 4.8111 5.2275 5.2286 5.7385 5.7406 7.0749 7.0760 7.1755 7.1780 7.4080 7.4099 7.9835 7.9838 8.0625 8.0638 9.8356 9.8739 9.9742 9.9896 10.0852 10.1441 10.4102 10.4202 10.4375 10.4489 10.5233 10.5616 10.7633 10.7984 11.1911 11.1923 11.2549 11.2678 11.3596 11.3843 13.6120 13.6300 13.7820 13.7841 17.1607 17.1644 17.4117 17.4160 17.6691 17.6774 k = 0.0000 0.0000 0.1091 ( 2739 PWs) bands (ev): -9.6436 -9.6436 -5.3034 -5.2975 -5.2206 -5.2135 -5.1466 -5.1454 -2.8685 -2.8683 1.8960 1.9059 2.0706 2.0727 2.5207 2.5264 4.8048 4.8068 5.2605 5.2618 5.7566 5.7591 7.0399 7.0412 7.1751 7.1781 7.3970 7.3990 7.9650 7.9650 8.0690 8.0704 9.8282 9.8740 9.9747 9.9924 10.0788 10.1473 10.4086 10.4197 10.4359 10.4485 10.5219 10.5666 10.7571 10.7989 11.1808 11.1824 11.2477 11.2660 11.3567 11.3820 13.6579 13.6778 13.8235 13.8260 17.0923 17.0962 17.3903 17.3952 17.6454 17.6542 k = 0.0000 0.0000 0.1247 ( 2743 PWs) bands (ev): -9.6324 -9.6324 -5.3437 -5.3390 -5.2261 -5.2201 -5.1526 -5.1512 -2.8227 -2.8225 1.8609 1.8711 2.0793 2.0819 2.5448 2.5504 4.7993 4.8015 5.2976 5.2990 5.7773 5.7801 7.0005 7.0018 7.1747 7.1781 7.3845 7.3867 7.9441 7.9444 8.0760 8.0776 9.8198 9.8732 9.9756 9.9958 10.0728 10.1506 10.4068 10.4187 10.4342 10.4478 10.5204 10.5714 10.7503 10.7992 11.1704 11.1729 11.2391 11.2642 11.3543 11.3791 13.7090 13.7305 13.8706 13.8735 17.0236 17.0276 17.3661 17.3715 17.6250 17.6344 k = 0.0000 0.0000 0.1403 ( 2743 PWs) bands (ev): -9.6197 -9.6197 -5.3893 -5.3854 -5.2309 -5.2256 -5.1592 -5.1575 -2.7729 -2.7726 1.8237 1.8340 2.0892 2.0923 2.5701 2.5755 4.7928 4.7953 5.3384 5.3400 5.8004 5.8037 6.9570 6.9585 7.1742 7.1781 7.3706 7.3729 7.9213 7.9222 8.0834 8.0853 9.8107 9.8716 9.9770 9.9998 10.0674 10.1540 10.4050 10.4174 10.4324 10.4467 10.5186 10.5759 10.7430 10.7991 11.1601 11.1642 11.2295 11.2628 11.3523 11.3758 13.7647 13.7873 13.9229 13.9263 16.9551 16.9592 17.3394 17.3454 17.6082 17.6181 k = 0.0000 0.0000 0.1559 ( 2747 PWs) bands (ev): -9.6055 -9.6055 -5.4391 -5.4358 -5.2356 -5.2307 -5.1664 -5.1646 -2.7194 -2.7191 1.7848 1.7951 2.1003 2.1040 2.5966 2.6017 4.7853 4.7880 5.3827 5.3844 5.8259 5.8295 6.9097 6.9113 7.1737 7.1781 7.3555 7.3579 7.8970 7.8986 8.0910 8.0931 9.8011 9.8692 9.9786 10.0045 10.0628 10.1577 10.4029 10.4158 10.4304 10.4452 10.5164 10.5798 10.7355 10.7987 11.1502 11.1566 11.2192 11.2621 11.3508 11.3720 13.8242 13.8476 13.9801 13.9840 16.8873 16.8913 17.3106 17.3170 17.5947 17.6052 k = 0.0000 0.0000 0.1715 ( 2743 PWs) bands (ev): -9.5898 -9.5898 -5.4923 -5.4894 -5.2404 -5.2358 -5.1742 -5.1722 -2.6627 -2.6623 1.7443 1.7546 2.1127 2.1168 2.6240 2.6287 4.7766 4.7795 5.4299 5.4318 5.8536 5.8576 6.8592 6.8608 7.1731 7.1780 7.3394 7.3419 7.8717 7.8741 8.0986 8.1010 9.7911 9.8661 9.9806 10.0097 10.0591 10.1618 10.4007 10.4139 10.4284 10.4432 10.5138 10.5831 10.7278 10.7982 11.1407 11.1505 11.2082 11.2622 11.3496 11.3680 13.8869 13.9108 14.0419 14.0463 16.8203 16.8244 17.2802 17.2869 17.5842 17.5954 k = 0.0000 0.0000 0.1871 ( 2733 PWs) bands (ev): -9.5728 -9.5728 -5.5483 -5.5457 -5.2454 -5.2410 -5.1826 -5.1804 -2.6031 -2.6028 1.7027 1.7129 2.1263 2.1308 2.6522 2.6565 4.7668 4.7698 5.4797 5.4817 5.8833 5.8877 6.8056 6.8073 7.1725 7.1779 7.3225 7.3250 7.8458 7.8490 8.1061 8.1088 9.7811 9.8626 9.9827 10.0154 10.0565 10.1663 10.3985 10.4117 10.4262 10.4408 10.5106 10.5853 10.7204 10.7974 11.1319 11.1461 11.1970 11.2633 11.3489 11.3638 13.9523 13.9763 14.1079 14.1128 16.7546 16.7586 17.2485 17.2556 17.5766 17.5885 k = 0.0000 0.0000 0.2027 ( 2723 PWs) bands (ev): -9.5542 -9.5542 -5.6066 -5.6043 -5.2507 -5.2464 -5.1914 -5.1890 -2.5411 -2.5408 1.6601 1.6702 2.1410 2.1460 2.6810 2.6850 4.7556 4.7589 5.5315 5.5336 5.9149 5.9198 6.7493 6.7511 7.1719 7.1779 7.3047 7.3073 7.8196 7.8239 8.1134 8.1163 9.7713 9.8587 9.9849 10.0213 10.0550 10.1710 10.3960 10.4093 10.4238 10.4379 10.5068 10.5862 10.7137 10.7965 11.1238 11.1434 11.1858 11.2657 11.3486 11.3596 14.0197 14.0437 14.1778 14.1833 16.6901 16.6941 17.2159 17.2234 17.5712 17.5844 k = 0.0000 0.0000 0.2182 ( 2727 PWs) bands (ev): -9.5343 -9.5343 -5.6669 -5.6648 -5.2562 -5.2520 -5.2008 -5.1982 -2.4770 -2.4766 1.6167 1.6267 2.1569 2.1624 2.7104 2.7139 4.7431 4.7465 5.5850 5.5872 5.9482 5.9534 6.6907 6.6926 7.1714 7.1778 7.2864 7.2889 7.7936 7.7989 8.1202 8.1233 9.7617 9.8547 9.9870 10.0274 10.0545 10.1760 10.3934 10.4064 10.4211 10.4344 10.5023 10.5853 10.7078 10.7953 11.1163 11.1423 11.1747 11.2692 11.3486 11.3553 14.0887 14.1123 14.2511 14.2572 16.6272 16.6311 17.1830 17.1908 17.5648 17.5760 k = 0.0000 0.0000 0.2338 ( 2729 PWs) bands (ev): -9.5129 -9.5129 -5.7289 -5.7270 -5.2620 -5.2578 -5.2105 -5.2077 -2.4110 -2.4106 1.5727 1.5825 2.1739 2.1798 2.7402 2.7432 4.7293 4.7328 5.6396 5.6419 5.9828 5.9885 6.6300 6.6322 7.1709 7.1779 7.2677 7.2703 7.7682 7.7746 8.1265 8.1299 9.7526 9.8509 9.9889 10.0336 10.0551 10.1812 10.3908 10.4031 10.4182 10.4305 10.4972 10.5825 10.7033 10.7941 11.1095 11.1423 11.1645 11.2742 11.3492 11.3512 14.1589 14.1820 14.3276 14.3343 16.5659 16.5697 17.1501 17.1581 17.5454 17.5503 k = 0.0000 0.0000 0.2494 ( 2729 PWs) bands (ev): -9.4902 -9.4902 -5.7923 -5.7905 -5.2680 -5.2639 -5.2205 -5.2177 -2.3435 -2.3430 1.5283 1.5379 2.1920 2.1984 2.7702 2.7727 4.7140 4.7177 5.6949 5.6972 6.0187 6.0247 6.5678 6.5701 7.1705 7.1781 7.2489 7.2515 7.7436 7.7513 8.1321 8.1358 9.7444 9.8474 9.9908 10.0398 10.0567 10.1867 10.3881 10.3995 10.4151 10.4262 10.4915 10.5776 10.7005 10.7929 11.1035 11.1411 11.1575 11.2806 11.3473 11.3502 14.2297 14.2522 14.4068 14.4142 16.5064 16.5101 17.1175 17.1257 17.5200 17.5237 k = 0.0000 0.0000 0.2650 ( 2733 PWs) bands (ev): -9.4660 -9.4660 -5.8569 -5.8553 -5.2743 -5.2703 -5.2309 -5.2279 -2.2745 -2.2741 1.4835 1.4929 2.2112 2.2180 2.8003 2.8024 4.6974 4.7011 5.7502 5.7526 6.0555 6.0619 6.5044 6.5068 7.1705 7.1786 7.2304 7.2329 7.7203 7.7292 8.1370 8.1409 9.7370 9.8446 9.9924 10.0459 10.0593 10.1922 10.3856 10.3956 10.4119 10.4215 10.4854 10.5707 10.6991 10.7918 11.0980 11.1348 11.1578 11.2884 11.3437 11.3518 14.3010 14.3226 14.4884 14.4964 16.4487 16.4523 17.0857 17.0941 17.4933 17.4966 k = 0.0000 0.0000 0.2806 ( 2735 PWs) bands (ev): -9.4405 -9.4405 -5.9225 -5.9210 -5.2809 -5.2768 -5.2416 -5.2384 -2.2044 -2.2039 1.4386 1.4478 2.2314 2.2386 2.8303 2.8319 4.6794 4.6832 5.8050 5.8074 6.0928 6.0996 6.4401 6.4427 7.1708 7.1795 7.2124 7.2148 7.6986 7.7087 8.1411 8.1452 9.7305 9.8423 9.9938 10.0519 10.0628 10.1979 10.3832 10.3913 10.4084 10.4166 10.4789 10.5622 10.6992 10.7907 11.0932 11.1255 11.1630 11.2976 11.3405 11.3539 14.3723 14.3929 14.5720 14.5806 16.3930 16.3965 17.0551 17.0635 17.4661 17.4693 k = 0.0000 0.0000 0.2962 ( 2733 PWs) bands (ev): -9.4137 -9.4136 -5.9888 -5.9875 -5.2876 -5.2836 -5.2524 -5.2491 -2.1333 -2.1328 1.3935 1.4025 2.2525 2.2602 2.8601 2.8613 4.6601 4.6640 5.8586 5.8610 6.1305 6.1376 6.3752 6.3781 7.1715 7.1809 7.1956 7.1978 7.6786 7.6899 8.1443 8.1487 9.7252 9.8409 9.9949 10.0578 10.0671 10.2036 10.3810 10.3866 10.4048 10.4115 10.4721 10.5524 10.7005 10.7897 11.0889 11.1158 11.1707 11.3081 11.3380 11.3568 14.4434 14.4630 14.6570 14.6664 16.3393 16.3427 17.0258 17.0343 17.4389 17.4421 k = 0.0000 0.0000 0.3118 ( 2729 PWs) bands (ev): -9.3855 -9.3855 -6.0559 -6.0546 -5.2946 -5.2906 -5.2634 -5.2600 -2.0613 -2.0608 1.3486 1.3573 2.2746 2.2827 2.8895 2.8902 4.6397 4.6436 5.9101 5.9125 6.1681 6.1755 6.3104 6.3136 7.1713 7.1802 7.1818 7.1850 7.6607 7.6732 8.1466 8.1511 9.7211 9.8405 9.9959 10.0635 10.0720 10.2093 10.3791 10.3817 10.4011 10.4063 10.4652 10.5416 10.7028 10.7889 11.0852 11.1063 11.1801 11.3198 11.3361 11.3603 14.5140 14.5324 14.7432 14.7532 16.2877 16.2911 16.9984 17.0069 17.4120 17.4152 k = 0.0000 0.0000 0.3274 ( 2733 PWs) bands (ev): -9.3560 -9.3559 -6.1234 -6.1222 -5.3017 -5.2977 -5.2745 -5.2710 -1.9886 -1.9881 1.3037 1.3122 2.2976 2.3061 2.9181 2.9184 4.6181 4.6220 5.9586 5.9610 6.2051 6.2125 6.2462 6.2499 7.1632 7.1675 7.1790 7.1871 7.6448 7.6585 8.1478 8.1526 9.7182 9.8411 9.9966 10.0691 10.0775 10.2149 10.3765 10.3774 10.3973 10.4009 10.4583 10.5302 10.7058 10.7882 11.0820 11.0972 11.1906 11.3315 11.3358 11.3644 14.5837 14.6010 14.8299 14.8407 16.2383 16.2417 16.9730 16.9815 17.3858 17.3890 k = 0.0000 0.0000 0.3430 ( 2733 PWs) bands (ev): -9.3252 -9.3251 -6.1913 -6.1903 -5.3090 -5.3051 -5.2856 -5.2820 -1.9154 -1.9148 1.2590 1.2672 2.3213 2.3303 2.9458 2.9459 4.5956 4.5995 6.0022 6.0044 6.1839 6.1870 6.2414 6.2497 7.1526 7.1562 7.1825 7.1916 7.6310 7.6459 8.1481 8.1530 9.7166 9.8427 9.9972 10.0744 10.0837 10.2204 10.3712 10.3759 10.3938 10.3955 10.4516 10.5184 10.7093 10.7877 11.0793 11.0888 11.2021 11.3334 11.3470 11.3692 14.6525 14.6685 14.9167 14.9283 16.1914 16.1948 16.9500 16.9584 17.3604 17.3639 k = 0.0000 0.0000 0.3585 ( 2737 PWs) bands (ev): -9.2931 -9.2930 -6.2596 -6.2586 -5.3164 -5.3125 -5.2968 -5.2931 -1.8417 -1.8410 1.2145 1.2225 2.3458 2.3551 2.9721 2.9726 4.5724 4.5763 6.0350 6.0365 6.1296 6.1324 6.2763 6.2846 7.1447 7.1480 7.1882 7.1976 7.6194 7.6355 8.1473 8.1523 9.7163 9.8454 9.9975 10.0794 10.0902 10.2256 10.3659 10.3742 10.3900 10.3907 10.4451 10.5065 10.7134 10.7875 11.0772 11.0810 11.2144 11.3336 11.3615 11.3746 14.7200 14.7348 15.0029 15.0152 16.1472 16.1505 16.9296 16.9378 17.3364 17.3400 k = 0.0000 0.0000 0.3741 ( 2739 PWs) bands (ev): -9.2598 -9.2597 -6.3280 -6.3272 -5.3239 -5.3201 -5.3079 -5.3040 -1.7677 -1.7670 1.1703 1.1780 2.3709 2.3806 2.9971 2.9980 4.5488 4.5527 6.0260 6.0281 6.1133 6.1138 6.3094 6.3178 7.1405 7.1436 7.1958 7.2055 7.6101 7.6273 8.1454 8.1506 9.7173 9.8492 9.9978 10.0841 10.0972 10.2307 10.3605 10.3718 10.3845 10.3885 10.4391 10.4946 10.7179 10.7874 11.0741 11.0757 11.2272 11.3344 11.3768 11.3807 14.7860 14.7996 15.0877 15.1008 16.1059 16.1093 16.9120 16.9200 17.3141 17.3179 k = 0.0000 0.0000 0.3897 ( 2739 PWs) bands (ev): -9.2252 -9.2251 -6.3966 -6.3958 -5.3315 -5.3278 -5.3189 -5.3149 -1.6934 -1.6926 1.1264 1.1339 2.3965 2.4066 3.0205 3.0219 4.5249 4.5288 5.9745 5.9783 6.1327 6.1346 6.3404 6.3487 7.1407 7.1437 7.2057 7.2155 7.6029 7.6212 8.1425 8.1478 9.7196 9.8541 9.9981 10.0885 10.1045 10.2355 10.3553 10.3683 10.3789 10.3876 10.4335 10.4830 10.7229 10.7878 11.0681 11.0748 11.2402 11.3358 11.3875 11.3927 14.8504 14.8628 15.1702 15.1840 16.0682 16.0716 16.8973 16.9051 17.2938 17.2979 k = 0.0000 0.0000 0.4053 ( 2735 PWs) bands (ev): -9.1894 -9.1893 -6.4652 -6.4645 -5.3392 -5.3357 -5.3297 -5.3256 -1.6190 -1.6182 1.0829 1.0900 2.4225 2.4330 3.0422 3.0439 4.5012 4.5050 5.9159 5.9203 6.1554 6.1577 6.3688 6.3770 7.1460 7.1488 7.2179 7.2278 7.5978 7.6171 8.1385 8.1440 9.7233 9.8601 9.9984 10.0928 10.1120 10.2402 10.3502 10.3639 10.3734 10.3876 10.4286 10.4718 10.7283 10.7885 11.0632 11.0745 11.2533 11.3379 11.3950 11.4091 14.9129 14.9242 15.2491 15.2637 16.0348 16.0382 16.8855 16.8930 17.2759 17.2804 k = 0.0000 0.0000 0.4209 ( 2739 PWs) bands (ev): -9.1524 -9.1523 -6.5338 -6.5332 -5.3470 -5.3436 -5.3403 -5.3359 -1.5445 -1.5437 1.0396 1.0465 2.4487 2.4597 3.0618 3.0639 4.4778 4.4816 5.8568 5.8617 6.1738 6.1763 6.3942 6.4023 7.1565 7.1590 7.2327 7.2424 7.5947 7.6151 8.1335 8.1392 9.7282 9.8670 9.9988 10.0968 10.1194 10.2446 10.3453 10.3587 10.3677 10.3881 10.4243 10.4612 10.7342 10.7896 11.0593 11.0750 11.2661 11.3406 11.4030 11.4256 14.9734 14.9836 15.3227 15.3380 16.0068 16.0103 16.8765 16.8835 17.2608 17.2656 k = 0.0000 0.0000 0.4365 ( 2733 PWs) bands (ev): -9.1142 -9.1141 -6.6024 -6.6019 -5.3549 -5.3518 -5.3505 -5.3459 -1.4701 -1.4692 0.9967 1.0033 2.4752 2.4865 3.0793 3.0817 4.4552 4.4590 5.7986 5.8039 6.1867 6.1894 6.4165 6.4242 7.1724 7.1746 7.2499 7.2595 7.5935 7.6149 8.1275 8.1333 9.7345 9.8749 9.9993 10.1007 10.1267 10.2488 10.3408 10.3530 10.3620 10.3886 10.4206 10.4516 10.7406 10.7914 11.0567 11.0762 11.2786 11.3440 11.4116 11.4423 15.0317 15.0409 15.3889 15.4046 15.9861 15.9895 16.8697 16.8762 17.2488 17.2540 k = 0.0000 0.0000 0.4521 ( 2733 PWs) bands (ev): -9.0749 -9.0747 -6.6708 -6.6703 -5.3631 -5.3603 -5.3602 -5.3552 -1.3957 -1.3948 0.9541 0.9604 2.5016 2.5134 3.0943 3.0971 4.4338 4.4375 5.7416 5.7472 6.1939 6.1969 6.4353 6.4427 7.1934 7.1950 7.2696 7.2791 7.5941 7.6166 8.1206 8.1265 9.7419 9.8836 10.0000 10.1045 10.1339 10.2529 10.3363 10.3468 10.3563 10.3882 10.4177 10.4432 10.7477 10.7938 11.0553 11.0783 11.2906 11.3479 11.4207 11.4589 15.0877 15.0960 15.4449 15.4608 15.9749 15.9779 16.8642 16.8701 17.2403 17.2459 k = 0.0000 0.0000 0.4677 ( 2733 PWs) bands (ev): -9.0344 -9.0342 -6.7390 -6.7387 -5.3721 -5.3692 -5.3687 -5.3638 -1.3216 -1.3206 0.9118 0.9177 2.5280 2.5401 3.1068 3.1100 4.4139 4.4175 5.6859 5.6919 6.1961 6.1993 6.4506 6.4575 7.2188 7.2200 7.2917 7.3010 7.5964 7.6199 8.1127 8.1188 9.7505 9.8931 10.0010 10.1081 10.1409 10.2569 10.3321 10.3403 10.3505 10.3864 10.4153 10.4367 10.7554 10.7970 11.0553 11.0811 11.3018 11.3524 11.4303 11.4754 15.1414 15.1488 15.4879 15.5034 15.9757 15.9777 16.8583 16.8634 17.2355 17.2414 k = 0.0000 0.0000 0.4833 ( 2745 PWs) bands (ev): -8.9929 -8.9927 -6.8071 -6.8068 -5.3813 -5.3782 -5.3766 -5.3719 -1.2478 -1.2467 0.8696 0.8753 2.5540 2.5665 3.1166 3.1201 4.3958 4.3994 5.6315 5.6378 6.1940 6.1975 6.4623 6.4687 7.2481 7.2486 7.3158 7.3250 7.6002 7.6248 8.1039 8.1102 9.7601 9.9031 10.0022 10.1115 10.1475 10.2606 10.3279 10.3335 10.3447 10.3826 10.4135 10.4322 10.7638 10.8010 11.0565 11.0847 11.3122 11.3573 11.4401 11.4914 15.1927 15.1994 15.5161 15.5305 15.9898 15.9902 16.8496 16.8536 17.2346 17.2409 k = 0.0000 0.0000 0.4989 ( 2745 PWs) bands (ev): -8.9502 -8.9500 -6.8748 -6.8746 -5.3903 -5.3871 -5.3841 -5.3796 -1.1743 -1.1732 0.8277 0.8330 2.5797 2.5925 3.1236 3.1274 4.3799 4.3834 5.5785 5.5851 6.1885 6.1923 6.4705 6.4764 7.2801 7.2804 7.3418 7.3508 7.6056 7.6311 8.0943 8.1008 9.7707 9.9139 10.0038 10.1150 10.1540 10.2645 10.3240 10.3264 10.3388 10.3769 10.4122 10.4297 10.7730 10.8062 11.0591 11.0890 11.3219 11.3629 11.4501 11.5069 15.2417 15.2478 15.5300 15.5428 16.0144 16.0159 16.8340 16.8367 17.2376 17.2443 k = 0.0000 0.0000 0.5144 ( 2745 PWs) bands (ev): -8.9065 -8.9062 -6.9423 -6.9422 -5.3991 -5.3957 -5.3915 -5.3871 -1.1012 -1.1001 0.7858 0.7909 2.6048 2.6179 3.1278 3.1320 4.3667 4.3701 5.5267 5.5335 6.1809 6.1848 6.4754 6.4808 7.3138 7.3148 7.3691 7.3781 7.6123 7.6387 8.0839 8.0906 9.7823 9.9251 10.0058 10.1183 10.1602 10.2684 10.3191 10.3202 10.3330 10.3697 10.4112 10.4285 10.7830 10.8124 11.0630 11.0939 11.3308 11.3690 11.4601 11.5218 15.2885 15.2941 15.5322 15.5434 16.0469 16.0504 16.8067 16.8079 17.2442 17.2509 k = 0.0000 0.0000 0.5300 ( 2741 PWs) bands (ev): -8.8618 -8.8615 -7.0095 -7.0095 -5.4074 -5.4040 -5.3986 -5.3943 -1.0287 -1.0275 0.7441 0.7488 2.6292 2.6426 3.1291 3.1337 4.3564 4.3597 5.4759 5.4829 6.1719 6.1761 6.4771 6.4819 7.3488 7.3507 7.3974 7.4064 7.6202 7.6476 8.0727 8.0796 9.7948 9.9367 10.0081 10.1215 10.1663 10.2724 10.3116 10.3165 10.3273 10.3616 10.4103 10.4280 10.7938 10.8199 11.0681 11.0992 11.3389 11.3758 11.4700 11.5360 15.3332 15.3384 15.5262 15.5360 16.0838 16.0890 16.7637 16.7641 17.2495 17.2534 k = 0.0000 0.0000 0.5456 ( 2733 PWs) bands (ev): -8.8160 -8.8157 -7.0764 -7.0763 -5.4152 -5.4118 -5.4055 -5.4013 -0.9567 -0.9555 0.7023 0.7067 2.6528 2.6664 3.1278 3.1327 4.3493 4.3526 5.4259 5.4330 6.1626 6.1669 6.4759 6.4801 7.3843 7.3873 7.4263 7.4353 7.6293 7.6574 8.0609 8.0680 9.8080 9.9486 10.0108 10.1245 10.1723 10.2764 10.3040 10.3127 10.3218 10.3530 10.4093 10.4277 10.8056 10.8287 11.0743 11.1048 11.3464 11.3833 11.4795 11.5492 15.3761 15.3809 15.5154 15.5239 16.1215 16.1281 16.7045 16.7059 17.2426 17.2460 k = 0.0000 0.0000 0.5612 ( 2737 PWs) bands (ev): -8.7692 -8.7689 -7.1429 -7.1428 -5.4226 -5.4191 -5.4122 -5.4081 -0.8854 -0.8842 0.6603 0.6644 2.6755 2.6893 3.1238 3.1291 4.3458 4.3489 5.3763 5.3835 6.1537 6.1582 6.4719 6.4756 7.4197 7.4238 7.4554 7.4645 7.6393 7.6680 8.0483 8.0558 9.8218 9.9606 10.0137 10.1274 10.1781 10.2805 10.2963 10.3085 10.3169 10.3441 10.4080 10.4270 10.8182 10.8388 11.0812 11.1102 11.3533 11.3915 11.4884 11.5614 15.4171 15.4217 15.5020 15.5094 16.1571 16.1650 16.6336 16.6356 17.2459 17.2500 k = 0.0000 0.0000 0.5768 ( 2733 PWs) bands (ev): -8.7215 -8.7211 -7.2090 -7.2089 -5.4295 -5.4260 -5.4187 -5.4146 -0.8148 -0.8136 0.6182 0.6219 2.6972 2.7112 3.1173 3.1230 4.3460 4.3489 5.3271 5.3342 6.1461 6.1506 6.4653 6.4686 7.4545 7.4598 7.4844 7.4934 7.6503 7.6794 8.0351 8.0430 9.8362 9.9727 10.0170 10.1299 10.1839 10.2843 10.2888 10.3039 10.3128 10.3353 10.4064 10.4259 10.8317 10.8502 11.0887 11.1152 11.3600 11.4007 11.4966 11.5724 15.4563 15.4610 15.4884 15.4945 16.1889 16.1978 16.5556 16.5578 17.2598 17.2645 k = 0.0000 0.0000 0.5924 ( 2737 PWs) bands (ev): -8.6728 -8.6724 -7.2747 -7.2746 -5.4359 -5.4324 -5.4249 -5.4209 -0.7451 -0.7439 0.5757 0.5791 2.7179 2.7321 3.1085 3.1146 4.3501 4.3529 5.2779 5.2849 6.1402 6.1446 6.4565 6.4592 7.4880 7.4948 7.5131 7.5219 7.6620 7.6911 8.0213 8.0296 9.8510 9.9848 10.0202 10.1322 10.1895 10.2805 10.2887 10.2985 10.3097 10.3269 10.4043 10.4243 10.8461 10.8630 11.0962 11.1195 11.3665 11.4108 11.5038 11.5821 15.4728 15.4800 15.4963 15.4990 16.2155 16.2252 16.4743 16.4763 17.2810 17.2860 k = 0.0000 0.0000 0.6080 ( 2733 PWs) bands (ev): -8.6231 -8.6228 -7.3399 -7.3398 -5.4417 -5.4382 -5.4307 -5.4268 -0.6763 -0.6750 0.5328 0.5359 2.7377 2.7519 3.0977 3.1042 4.3583 4.3608 5.2286 5.2355 6.1364 6.1408 6.4456 6.4479 7.5200 7.5282 7.5412 7.5496 7.6743 7.7031 8.0070 8.0157 9.8660 9.9969 10.0236 10.1341 10.1951 10.2730 10.2917 10.2929 10.3074 10.3195 10.4017 10.4221 10.8614 10.8771 11.1034 11.1228 11.3732 11.4219 11.5100 11.5905 15.4614 15.4672 15.5324 15.5354 16.2363 16.2466 16.3928 16.3943 17.3064 17.3118 k = 0.0000 0.0000 0.6236 ( 2737 PWs) bands (ev): -8.5726 -8.5722 -7.4047 -7.4045 -5.4470 -5.4435 -5.4362 -5.4323 -0.6084 -0.6072 0.4894 0.4922 2.7565 2.7707 3.0851 3.0921 4.3706 4.3729 5.1792 5.1858 6.1351 6.1393 6.4328 6.4347 7.5501 7.5597 7.5687 7.5762 7.6872 7.7151 7.9922 8.0014 9.8813 10.0088 10.0268 10.1356 10.2003 10.2655 10.2871 10.2925 10.3058 10.3146 10.3985 10.4192 10.8774 10.8923 11.1098 11.1247 11.3802 11.4339 11.5149 11.5974 15.4515 15.4565 15.5675 15.5703 16.2505 16.2613 16.3135 16.3141 17.3339 17.3395 k = 0.0000 0.0000 0.6392 ( 2737 PWs) bands (ev): -8.5212 -8.5208 -7.4690 -7.4687 -5.4517 -5.4482 -5.4414 -5.4376 -0.5415 -0.5403 0.4454 0.4478 2.7744 2.7886 3.0711 3.0784 4.3869 4.3889 5.1295 5.1358 6.1364 6.1405 6.4184 6.4199 7.5779 7.5888 7.5955 7.6013 7.7006 7.7269 7.9769 7.9867 9.8965 10.0205 10.0298 10.1366 10.2052 10.2583 10.2813 10.2893 10.3051 10.3142 10.3947 10.4158 10.8940 10.9085 11.1150 11.1250 11.3879 11.4470 11.5186 11.6027 15.4442 15.4487 15.6007 15.6030 16.2370 16.2374 16.2591 16.2703 17.3618 17.3674 k = 0.0000 0.0000 0.6547 ( 2735 PWs) bands (ev): -8.4690 -8.4685 -7.5328 -7.5325 -5.4559 -5.4523 -5.4462 -5.4424 -0.4758 -0.4746 0.4006 0.4027 2.7916 2.8056 3.0558 3.0636 4.4073 4.4089 5.0795 5.0854 6.1404 6.1442 6.4026 6.4037 7.6033 7.6153 7.6216 7.6247 7.7144 7.7383 7.9611 7.9716 9.9118 10.0320 10.0323 10.1370 10.2098 10.2516 10.2756 10.2830 10.3053 10.3173 10.3903 10.4117 10.9112 10.9256 11.1185 11.1236 11.3963 11.4609 11.5208 11.6064 15.4402 15.4441 15.6309 15.6325 16.1671 16.1687 16.2598 16.2715 17.3887 17.3939 k = 0.0000 0.0000 0.6703 ( 2739 PWs) bands (ev): -8.4159 -8.4154 -7.5960 -7.5957 -5.4595 -5.4559 -5.4506 -5.4468 -0.4112 -0.4101 0.3550 0.3568 2.8082 2.8220 3.0396 3.0479 4.4315 4.4328 5.0293 5.0349 6.1469 6.1505 6.3855 6.3863 7.6262 7.6395 7.6460 7.6462 7.7286 7.7491 7.9450 7.9561 9.9267 10.0342 10.0432 10.1367 10.2140 10.2455 10.2701 10.2756 10.3065 10.3220 10.3853 10.4072 10.9288 10.9434 11.1198 11.1204 11.4056 11.4753 11.5214 11.6083 15.4399 15.4431 15.6562 15.6568 16.1055 16.1089 16.2545 16.2664 17.4132 17.4172 k = 0.0000 0.0000 0.6859 ( 2741 PWs) bands (ev): -8.3620 -8.3615 -7.6588 -7.6584 -5.4625 -5.4589 -5.4546 -5.4508 -0.3478 -0.3468 0.3084 0.3099 2.8243 2.8379 3.0227 3.0315 4.4594 4.4603 4.9791 4.9842 6.1560 6.1592 6.3675 6.3680 7.6464 7.6619 7.6648 7.6686 7.7433 7.7592 7.9285 7.9403 9.9413 10.0353 10.0540 10.1356 10.2177 10.2402 10.2647 10.2681 10.3087 10.3274 10.3798 10.4021 10.9467 10.9616 11.1153 11.1189 11.4157 11.4902 11.5205 11.6085 15.4435 15.4462 15.6730 15.6737 16.0563 16.0617 16.2432 16.2552 17.4330 17.4361 k = 0.0000 0.0000 0.7015 ( 2743 PWs) bands (ev): -8.3072 -8.3068 -7.7209 -7.7205 -5.4649 -5.4613 -5.4581 -5.4544 -0.2857 -0.2848 0.2609 0.2621 2.8401 2.8535 3.0055 3.0147 4.4909 4.4913 4.9290 4.9336 6.1673 6.1702 6.3486 6.3488 7.6641 7.6805 7.6821 7.6887 7.7585 7.7688 7.9117 7.9243 9.9555 10.0352 10.0644 10.1336 10.2211 10.2358 10.2596 10.2607 10.3120 10.3332 10.3739 10.3967 10.9647 10.9800 11.1084 11.1156 11.4266 11.5052 11.5180 11.6069 15.4515 15.4535 15.6773 15.6795 16.0237 16.0314 16.2263 16.2384 17.4465 17.4513 k = 0.0000 0.0000 0.7171 ( 2743 PWs) bands (ev): -8.2518 -8.2513 -7.7825 -7.7821 -5.4667 -5.4631 -5.4611 -5.4574 -0.2249 -0.2241 0.2122 0.2131 2.8558 2.8689 2.9881 2.9978 4.5255 4.5255 4.8793 4.8834 6.1806 6.1833 6.3291 6.3292 7.6791 7.6931 7.6997 7.7061 7.7743 7.7781 7.8947 7.9079 9.9689 10.0338 10.0744 10.1306 10.2242 10.2326 10.2538 10.2546 10.3164 10.3394 10.3676 10.3909 10.9826 10.9983 11.0997 11.1099 11.4380 11.5138 11.5200 11.6034 15.4639 15.4652 15.6677 15.6709 16.0106 16.0201 16.2046 16.2166 17.4578 17.4641 k = 0.0000 0.0000 0.7327 ( 2731 PWs) bands (ev): -8.1955 -8.1951 -7.8434 -7.8430 -5.4680 -5.4644 -5.4637 -5.4600 -0.1654 -0.1648 0.1623 0.1629 2.8715 2.8842 2.9707 2.9809 4.5627 4.5631 4.8301 4.8337 6.1958 6.1982 6.3090 6.3095 7.6914 7.7025 7.7144 7.7204 7.7879 7.7906 7.8775 7.8914 9.9816 10.0310 10.0840 10.1267 10.2274 10.2309 10.2475 10.2500 10.3216 10.3458 10.3611 10.3849 11.0002 11.0163 11.0893 11.1018 11.4497 11.5083 11.5345 11.5983 15.4808 15.4814 15.6462 15.6496 16.0155 16.0262 16.1789 16.1908 17.4676 17.4750 k = 0.0000 0.0000 0.7483 ( 2719 PWs) bands (ev): -8.1386 -8.1381 -7.9038 -7.9033 -5.4686 -5.4657 -5.4650 -5.4621 -0.1073 -0.1068 0.1112 0.1116 2.8873 2.8997 2.9534 2.9641 4.6024 4.6034 4.7818 4.7848 6.2125 6.2146 6.2889 6.2897 7.7009 7.7085 7.7256 7.7307 7.7991 7.8072 7.8604 7.8748 9.9933 10.0267 10.0931 10.1218 10.2305 10.2307 10.2420 10.2456 10.3276 10.3524 10.3544 10.3787 11.0174 11.0338 11.0774 11.0916 11.4614 11.5012 11.5483 11.5914 15.5021 15.5021 15.6174 15.6204 16.0333 16.0446 16.1501 16.1620 17.4759 17.4846 k = 0.0000 0.0000 0.7639 ( 2721 PWs) bands (ev): -8.0809 -8.0804 -7.9635 -7.9630 -5.4687 -5.4673 -5.4651 -5.4636 -0.0505 -0.0503 0.0587 0.0589 2.9034 2.9153 2.9364 2.9475 4.6445 4.6460 4.7345 4.7370 6.2305 6.2322 6.2689 6.2700 7.7073 7.7112 7.7332 7.7362 7.8123 7.8240 7.8435 7.8579 10.0038 10.0206 10.1014 10.1158 10.2314 10.2340 10.2373 10.2415 10.3339 10.3475 10.3590 10.3722 11.0339 11.0502 11.0641 11.0794 11.4726 11.4927 11.5610 11.5827 15.5268 15.5277 15.5860 15.5884 16.0589 16.0704 16.1195 16.1313 17.4821 17.4870 k = 0.0000 0.0000 0.7795 ( 2720 PWs) bands (ev): -8.0225 -8.0225 -8.0221 -8.0221 -5.4683 -5.4683 -5.4647 -5.4647 0.0048 0.0048 0.0049 0.0049 2.9197 2.9197 2.9313 2.9313 4.6887 4.6887 4.6907 4.6907 6.2494 6.2494 6.2507 6.2507 7.7108 7.7108 7.7368 7.7368 7.8273 7.8273 7.8410 7.8410 10.0129 10.0129 10.1090 10.1090 10.2338 10.2338 10.2376 10.2376 10.3406 10.3406 10.3656 10.3656 11.0495 11.0495 11.0656 11.0656 11.4831 11.4831 11.5726 11.5726 15.5552 15.5552 15.5568 15.5568 16.0885 16.0885 16.1002 16.1002 17.4860 17.4860 k = 0.0000 0.0000 0.7795 ( 2720 PWs) bands (ev): -8.0225 -8.0225 -8.0221 -8.0221 -5.4683 -5.4683 -5.4647 -5.4647 0.0048 0.0048 0.0049 0.0049 2.9197 2.9197 2.9313 2.9313 4.6887 4.6887 4.6907 4.6907 6.2494 6.2494 6.2507 6.2507 7.7108 7.7108 7.7368 7.7368 7.8273 7.8273 7.8410 7.8410 10.0129 10.0129 10.1090 10.1090 10.2338 10.2338 10.2376 10.2376 10.3406 10.3406 10.3656 10.3656 11.0495 11.0495 11.0656 11.0656 11.4831 11.4831 11.5726 11.5726 15.5552 15.5552 15.5568 15.5568 16.0885 16.0885 16.1002 16.1002 17.4860 17.4860 k =-0.0097 0.0116 0.7795 ( 2722 PWs) bands (ev): -8.0226 -8.0226 -8.0222 -8.0222 -5.4683 -5.4683 -5.4647 -5.4647 0.0056 0.0056 0.0061 0.0061 2.9196 2.9196 2.9311 2.9311 4.6887 4.6887 4.6907 4.6907 6.2488 6.2488 6.2504 6.2504 7.7097 7.7097 7.7357 7.7357 7.8273 7.8273 7.8411 7.8411 10.0129 10.0129 10.1088 10.1088 10.2275 10.2275 10.2442 10.2442 10.3397 10.3397 10.3671 10.3671 11.0490 11.0490 11.0652 11.0652 11.4829 11.4829 11.5724 11.5724 15.5550 15.5550 15.5566 15.5566 16.0894 16.0894 16.1011 16.1011 17.4856 17.4856 k =-0.0194 0.0232 0.7795 ( 2724 PWs) bands (ev): -8.0230 -8.0230 -8.0225 -8.0225 -5.4684 -5.4684 -5.4647 -5.4647 0.0081 0.0081 0.0091 0.0091 2.9190 2.9190 2.9306 2.9306 4.6887 4.6887 4.6907 4.6907 6.2473 6.2473 6.2492 6.2492 7.7065 7.7065 7.7323 7.7323 7.8274 7.8274 7.8413 7.8413 10.0130 10.0130 10.1080 10.1080 10.2198 10.2198 10.2526 10.2526 10.3374 10.3374 10.3710 10.3710 11.0473 11.0473 11.0641 11.0641 11.4823 11.4823 11.5718 11.5718 15.5543 15.5543 15.5559 15.5559 16.0921 16.0921 16.1038 16.1038 17.4843 17.4843 k =-0.0291 0.0348 0.7795 ( 2728 PWs) bands (ev): -8.0236 -8.0236 -8.0231 -8.0231 -5.4684 -5.4684 -5.4647 -5.4647 0.0125 0.0125 0.0139 0.0139 2.9182 2.9182 2.9298 2.9298 4.6887 4.6887 4.6908 4.6908 6.2448 6.2448 6.2471 6.2471 7.7012 7.7012 7.7266 7.7266 7.8275 7.8275 7.8417 7.8417 10.0131 10.0131 10.1068 10.1068 10.2123 10.2123 10.2612 10.2612 10.3347 10.3347 10.3766 10.3766 11.0447 11.0447 11.0623 11.0623 11.4812 11.4812 11.5708 11.5708 15.5531 15.5531 15.5547 15.5547 16.0967 16.0967 16.1082 16.1082 17.4822 17.4822 k =-0.0388 0.0465 0.7795 ( 2740 PWs) bands (ev): -8.0244 -8.0244 -8.0238 -8.0238 -5.4685 -5.4685 -5.4648 -5.4648 0.0187 0.0187 0.0206 0.0206 2.9169 2.9169 2.9286 2.9286 4.6888 4.6888 4.6910 4.6910 6.2414 6.2414 6.2442 6.2442 7.6938 7.6938 7.7187 7.7187 7.8277 7.8277 7.8422 7.8422 10.0130 10.0130 10.1050 10.1051 10.2048 10.2048 10.2698 10.2698 10.3321 10.3321 10.3833 10.3833 11.0411 11.0411 11.0598 11.0598 11.4798 11.4798 11.5695 11.5695 15.5513 15.5514 15.5530 15.5530 16.1031 16.1031 16.1146 16.1146 17.4789 17.4789 k =-0.0486 0.0581 0.7795 ( 2748 PWs) bands (ev): -8.0254 -8.0254 -8.0249 -8.0249 -5.4686 -5.4686 -5.4648 -5.4648 0.0266 0.0266 0.0290 0.0290 2.9154 2.9154 2.9271 2.9271 4.6888 4.6888 4.6911 4.6911 6.2372 6.2372 6.2405 6.2405 7.6844 7.6844 7.7087 7.7087 7.8281 7.8281 7.8428 7.8428 10.0129 10.0129 10.1029 10.1029 10.1975 10.1975 10.2781 10.2781 10.3303 10.3303 10.3909 10.3909 11.0368 11.0368 11.0566 11.0567 11.4781 11.4781 11.5678 11.5678 15.5489 15.5489 15.5507 15.5508 16.1114 16.1114 16.1227 16.1227 17.4745 17.4745 k =-0.0583 0.0697 0.7795 ( 2754 PWs) bands (ev): -8.0267 -8.0267 -8.0261 -8.0261 -5.4687 -5.4687 -5.4648 -5.4648 0.0362 0.0362 0.0391 0.0391 2.9135 2.9135 2.9254 2.9254 4.6889 4.6889 4.6913 4.6913 6.2322 6.2322 6.2360 6.2360 7.6729 7.6729 7.6966 7.6966 7.8287 7.8287 7.8435 7.8435 10.0126 10.0126 10.1002 10.1002 10.1904 10.1904 10.2853 10.2853 10.3298 10.3298 10.3991 10.3991 11.0320 11.0320 11.0530 11.0530 11.4760 11.4760 11.5659 11.5659 15.5456 15.5456 15.5478 15.5478 16.1216 16.1216 16.1328 16.1328 17.4686 17.4686 k =-0.0680 0.0813 0.7795 ( 2758 PWs) bands (ev): -8.0282 -8.0282 -8.0276 -8.0276 -5.4687 -5.4687 -5.4647 -5.4647 0.0475 0.0475 0.0508 0.0508 2.9114 2.9114 2.9233 2.9233 4.6890 4.6890 4.6916 4.6916 6.2265 6.2265 6.2308 6.2308 7.6594 7.6594 7.6825 7.6825 7.8296 7.8296 7.8444 7.8444 10.0120 10.0120 10.0970 10.0970 10.1833 10.1833 10.2905 10.2905 10.3316 10.3316 10.4079 10.4080 11.0267 11.0267 11.0489 11.0489 11.4738 11.4738 11.5637 11.5637 15.5414 15.5414 15.5440 15.5440 16.1337 16.1337 16.1448 16.1448 17.4610 17.4610 k =-0.0777 0.0929 0.7795 ( 2758 PWs) bands (ev): -8.0300 -8.0300 -8.0293 -8.0293 -5.4686 -5.4686 -5.4646 -5.4646 0.0602 0.0602 0.0641 0.0641 2.9089 2.9089 2.9210 2.9210 4.6892 4.6892 4.6919 4.6919 6.2202 6.2202 6.2248 6.2248 7.6440 7.6440 7.6664 7.6664 7.8308 7.8308 7.8456 7.8456 10.0111 10.0111 10.0933 10.0933 10.1765 10.1765 10.2930 10.2930 10.3362 10.3363 10.4172 10.4172 11.0212 11.0212 11.0445 11.0445 11.4714 11.4714 11.5613 11.5613 15.5362 15.5362 15.5393 15.5393 16.1479 16.1479 16.1587 16.1587 17.4515 17.4515 k =-0.0874 0.1045 0.7795 ( 2752 PWs) bands (ev): -8.0320 -8.0320 -8.0313 -8.0313 -5.4684 -5.4684 -5.4643 -5.4643 0.0744 0.0744 0.0787 0.0787 2.9063 2.9063 2.9185 2.9185 4.6894 4.6894 4.6922 4.6922 6.2132 6.2132 6.2182 6.2182 7.6267 7.6267 7.6485 7.6485 7.8324 7.8324 7.8469 7.8469 10.0097 10.0098 10.0889 10.0889 10.1701 10.1701 10.2930 10.2930 10.3434 10.3434 10.4268 10.4268 11.0156 11.0156 11.0399 11.0399 11.4690 11.4690 11.5587 11.5587 15.5299 15.5299 15.5335 15.5335 16.1639 16.1639 16.1746 16.1746 17.4400 17.4400 k =-0.0971 0.1161 0.7795 ( 2752 PWs) bands (ev): -8.0342 -8.0342 -8.0335 -8.0335 -5.4681 -5.4681 -5.4638 -5.4638 0.0899 0.0899 0.0946 0.0946 2.9034 2.9034 2.9158 2.9158 4.6896 4.6896 4.6926 4.6926 6.2058 6.2058 6.2111 6.2111 7.6076 7.6076 7.6287 7.6287 7.8344 7.8344 7.8487 7.8487 10.0079 10.0079 10.0838 10.0838 10.1640 10.1640 10.2912 10.2912 10.3521 10.3521 10.4365 10.4365 11.0101 11.0101 11.0352 11.0352 11.4664 11.4664 11.5559 11.5559 15.5224 15.5224 15.5267 15.5267 16.1818 16.1818 16.1922 16.1922 17.4262 17.4262 k =-0.1068 0.1278 0.7795 ( 2752 PWs) bands (ev): -8.0367 -8.0367 -8.0359 -8.0359 -5.4676 -5.4676 -5.4632 -5.4632 0.1066 0.1066 0.1117 0.1117 2.9004 2.9004 2.9129 2.9129 4.6899 4.6899 4.6930 4.6931 6.1979 6.1979 6.2033 6.2034 7.5865 7.5865 7.6070 7.6070 7.8369 7.8369 7.8507 7.8507 10.0054 10.0054 10.0778 10.0778 10.1583 10.1583 10.2883 10.2883 10.3614 10.3614 10.4462 10.4462 11.0049 11.0049 11.0307 11.0307 11.4639 11.4639 11.5530 11.5530 15.5136 15.5136 15.5188 15.5188 16.2014 16.2014 16.2116 16.2116 17.4101 17.4101 k =-0.1165 0.1394 0.7795 ( 2748 PWs) bands (ev): -8.0395 -8.0395 -8.0386 -8.0386 -5.4668 -5.4668 -5.4624 -5.4624 0.1243 0.1243 0.1299 0.1299 2.8972 2.8972 2.9099 2.9099 4.6903 4.6903 4.6936 4.6936 6.1895 6.1895 6.1952 6.1952 7.5637 7.5637 7.5837 7.5837 7.8399 7.8399 7.8533 7.8533 10.0023 10.0023 10.0710 10.0711 10.1531 10.1531 10.2846 10.2847 10.3709 10.3709 10.4558 10.4558 11.0001 11.0001 11.0266 11.0266 11.4614 11.4614 11.5501 11.5501 15.5036 15.5037 15.5096 15.5096 16.2226 16.2226 16.2324 16.2324 17.3918 17.3918 k =-0.1262 0.1510 0.7795 ( 2744 PWs) bands (ev): -8.0425 -8.0425 -8.0416 -8.0416 -5.4658 -5.4658 -5.4613 -5.4613 0.1429 0.1429 0.1489 0.1489 2.8940 2.8940 2.9068 2.9068 4.6909 4.6909 4.6943 4.6943 6.1808 6.1809 6.1866 6.1866 7.5392 7.5392 7.5586 7.5586 7.8436 7.8436 7.8565 7.8565 9.9986 9.9986 10.0635 10.0635 10.1483 10.1483 10.2804 10.2804 10.3804 10.3804 10.4651 10.4651 10.9960 10.9960 11.0229 11.0229 11.4591 11.4591 11.5471 11.5471 15.4925 15.4925 15.4992 15.4993 16.2449 16.2449 16.2545 16.2545 17.3715 17.3715 k =-0.1360 0.1626 0.7795 ( 2754 PWs) bands (ev): -8.0457 -8.0457 -8.0448 -8.0448 -5.4645 -5.4645 -5.4599 -5.4599 0.1622 0.1622 0.1687 0.1687 2.8907 2.8907 2.9036 2.9036 4.6916 4.6916 4.6951 4.6951 6.1718 6.1718 6.1776 6.1776 7.5129 7.5129 7.5318 7.5318 7.8479 7.8479 7.8603 7.8603 9.9941 9.9942 10.0551 10.0551 10.1438 10.1438 10.2755 10.2755 10.3895 10.3895 10.4741 10.4741 10.9925 10.9925 11.0197 11.0197 11.4569 11.4569 11.5440 11.5440 15.4801 15.4801 15.4877 15.4877 16.2680 16.2680 16.2774 16.2774 17.3496 17.3496 k =-0.1457 0.1742 0.7795 ( 2766 PWs) bands (ev): -8.0492 -8.0492 -8.0483 -8.0483 -5.4629 -5.4629 -5.4582 -5.4582 0.1821 0.1821 0.1890 0.1890 2.8875 2.8875 2.9006 2.9006 4.6924 4.6924 4.6961 4.6961 6.1626 6.1626 6.1683 6.1683 7.4849 7.4849 7.5033 7.5033 7.8530 7.8530 7.8648 7.8648 9.9889 9.9889 10.0461 10.0461 10.1394 10.1394 10.2701 10.2701 10.3983 10.3983 10.4826 10.4826 10.9897 10.9897 11.0172 11.0172 11.4549 11.4549 11.5410 11.5410 15.4666 15.4666 15.4751 15.4751 16.2915 16.2915 16.3007 16.3007 17.3266 17.3266 k =-0.1554 0.1858 0.7795 ( 2770 PWs) bands (ev): -8.0529 -8.0529 -8.0520 -8.0520 -5.4610 -5.4610 -5.4561 -5.4561 0.2024 0.2024 0.2097 0.2097 2.8843 2.8843 2.8976 2.8976 4.6935 4.6935 4.6973 4.6973 6.1531 6.1531 6.1588 6.1588 7.4553 7.4553 7.4732 7.4732 7.8590 7.8590 7.8701 7.8701 9.9831 9.9831 10.0367 10.0367 10.1352 10.1352 10.2642 10.2642 10.4068 10.4068 10.4908 10.4908 10.9878 10.9878 11.0155 11.0155 11.4531 11.4531 11.5380 11.5380 15.4521 15.4521 15.4614 15.4614 16.3145 16.3145 16.3236 16.3236 17.3035 17.3035 k =-0.1651 0.1974 0.7795 ( 2774 PWs) bands (ev): -8.0569 -8.0569 -8.0559 -8.0559 -5.4586 -5.4586 -5.4537 -5.4537 0.2229 0.2229 0.2306 0.2306 2.8814 2.8814 2.8948 2.8948 4.6950 4.6950 4.6989 4.6989 6.1435 6.1435 6.1490 6.1490 7.4241 7.4241 7.4416 7.4416 7.8659 7.8659 7.8763 7.8763 9.9765 9.9766 10.0270 10.0270 10.1308 10.1308 10.2576 10.2576 10.4149 10.4150 10.4985 10.4985 10.9866 10.9866 11.0146 11.0146 11.4516 11.4516 11.5351 11.5351 15.4368 15.4368 15.4468 15.4468 16.3363 16.3363 16.3452 16.3452 17.2811 17.2811 k =-0.1748 0.2090 0.7795 ( 2770 PWs) bands (ev): -8.0612 -8.0611 -8.0601 -8.0601 -5.4559 -5.4559 -5.4509 -5.4509 0.2436 0.2436 0.2516 0.2516 2.8787 2.8787 2.8923 2.8923 4.6967 4.6967 4.7007 4.7007 6.1336 6.1336 6.1390 6.1390 7.3914 7.3914 7.4085 7.4085 7.8739 7.8739 7.8835 7.8835 9.9695 9.9695 10.0172 10.0172 10.1262 10.1262 10.2504 10.2504 10.4229 10.4229 10.5060 10.5060 10.9863 10.9863 11.0145 11.0145 11.4503 11.4503 11.5322 11.5322 15.4208 15.4208 15.4315 15.4315 16.3558 16.3558 16.3646 16.3646 17.2607 17.2607 k =-0.1748 0.2090 0.7795 ( 2770 PWs) bands (ev): -8.0612 -8.0611 -8.0601 -8.0601 -5.4559 -5.4559 -5.4509 -5.4509 0.2436 0.2436 0.2516 0.2516 2.8787 2.8787 2.8923 2.8923 4.6967 4.6967 4.7007 4.7007 6.1336 6.1336 6.1390 6.1390 7.3914 7.3914 7.4085 7.4085 7.8739 7.8739 7.8835 7.8835 9.9695 9.9695 10.0172 10.0172 10.1262 10.1262 10.2504 10.2504 10.4229 10.4229 10.5060 10.5060 10.9863 10.9863 11.0145 11.0145 11.4503 11.4503 11.5322 11.5322 15.4208 15.4208 15.4315 15.4315 16.3558 16.3558 16.3646 16.3646 17.2607 17.2607 k =-0.1819 0.2175 0.7684 ( 2766 PWs) bands (ev): -8.0966 -8.0961 -8.0314 -8.0309 -5.4596 -5.4570 -5.4450 -5.4422 0.2191 0.2231 0.3017 0.3058 2.8681 2.8763 2.8914 2.8993 4.6774 4.6799 4.7211 4.7240 6.1179 6.1227 6.1361 6.1411 7.3564 7.3588 7.3913 7.3938 7.8765 7.8818 7.8871 7.8916 9.9629 9.9650 10.0083 10.0115 10.1201 10.1251 10.2407 10.2483 10.4243 10.4329 10.5041 10.5183 10.9776 10.9933 11.0086 11.0219 11.4481 11.4508 11.5281 11.5319 15.3701 15.3725 15.4567 15.4591 16.3501 16.3580 16.3885 16.3971 17.2239 17.2305 k =-0.1889 0.2260 0.7574 ( 2765 PWs) bands (ev): -8.1309 -8.1304 -8.0032 -8.0026 -5.4641 -5.4614 -5.4349 -5.4318 0.1921 0.1963 0.3569 0.3612 2.8564 2.8654 2.8990 2.9076 4.6589 4.6614 4.7444 4.7477 6.1031 6.1076 6.1390 6.1441 7.3164 7.3189 7.3800 7.3829 7.8774 7.8845 7.8946 7.9001 9.9559 9.9602 9.9988 10.0056 10.1138 10.1238 10.2300 10.2458 10.4263 10.4426 10.5022 10.5305 10.9685 10.9934 11.0088 11.0285 11.4462 11.4511 11.5247 11.5308 15.3145 15.3168 15.4897 15.4920 16.3454 16.3526 16.4208 16.4294 17.1887 17.1951 k =-0.1960 0.2344 0.7464 ( 2761 PWs) bands (ev): -8.1639 -8.1634 -7.9762 -7.9756 -5.4686 -5.4660 -5.4237 -5.4204 0.1644 0.1687 0.4116 0.4161 2.8443 2.8535 2.9075 2.9162 4.6418 4.6445 4.7676 4.7714 6.0890 6.0932 6.1430 6.1480 7.2751 7.2776 7.3690 7.3720 7.8767 7.8839 7.9041 7.9088 9.9487 9.9552 9.9889 9.9996 10.1074 10.1221 10.2185 10.2429 10.4288 10.4520 10.5004 10.5427 10.9591 10.9875 11.0139 11.0343 11.4441 11.4517 11.5223 11.5287 15.2574 15.2596 15.5239 15.5258 16.3425 16.3490 16.4524 16.4610 17.1576 17.1639 k =-0.2031 0.2429 0.7354 ( 2763 PWs) bands (ev): -8.1954 -8.1949 -7.9505 -7.9498 -5.4731 -5.4705 -5.4117 -5.4082 0.1362 0.1406 0.4655 0.4703 2.8319 2.8411 2.9165 2.9251 4.6261 4.6291 4.7907 4.7949 6.0755 6.0795 6.1481 6.1531 7.2332 7.2356 7.3576 7.3608 7.8746 7.8816 7.9139 7.9178 9.9413 9.9497 9.9786 9.9935 10.1008 10.1200 10.2062 10.2398 10.4318 10.4609 10.4987 10.5549 10.9498 10.9805 11.0189 11.0390 11.4412 11.4534 11.5209 11.5258 15.1992 15.2013 15.5585 15.5598 16.3420 16.3478 16.4827 16.4912 17.1314 17.1377 k =-0.2101 0.2513 0.7243 ( 2767 PWs) bands (ev): -8.2254 -8.2250 -7.9262 -7.9255 -5.4775 -5.4750 -5.3990 -5.3952 0.1076 0.1122 0.5186 0.5236 2.8191 2.8284 2.9257 2.9343 4.6116 4.6149 4.8139 4.8184 6.0623 6.0660 6.1547 6.1595 7.1910 7.1934 7.3459 7.3493 7.8711 7.8780 7.9238 7.9271 9.9337 9.9434 9.9683 9.9874 10.0941 10.1172 10.1938 10.2364 10.4353 10.4694 10.4973 10.5670 10.9405 10.9733 11.0227 11.0427 11.4374 11.4563 11.5206 11.5223 15.1402 15.1421 15.5924 15.5931 16.3445 16.3497 16.5110 16.5193 17.1108 17.1171 k =-0.2172 0.2598 0.7133 ( 2767 PWs) bands (ev): -8.2540 -8.2536 -7.9033 -7.9025 -5.4819 -5.4795 -5.3856 -5.3816 0.0788 0.0835 0.5707 0.5759 2.8059 2.8153 2.9352 2.9437 4.5982 4.6019 4.8372 4.8421 6.0491 6.0526 6.1629 6.1676 7.1488 7.1512 7.3339 7.3374 7.8664 7.8733 7.9336 7.9367 9.9260 9.9361 9.9585 9.9813 10.0873 10.1138 10.1817 10.2328 10.4392 10.4774 10.4962 10.5792 10.9315 10.9660 11.0253 11.0452 11.4328 11.4604 11.5179 11.5219 15.0807 15.0823 15.6245 15.6253 16.3502 16.3554 16.5365 16.5445 17.0964 17.1030 k =-0.2243 0.2682 0.7023 ( 2767 PWs) bands (ev): -8.2811 -8.2806 -7.8817 -7.8809 -5.4861 -5.4838 -5.3717 -5.3675 0.0500 0.0548 0.6217 0.6271 2.7924 2.8018 2.9448 2.9533 4.5858 4.5899 4.8607 4.8661 6.0357 6.0390 6.1728 6.1773 7.1066 7.1091 7.3217 7.3253 7.8607 7.8676 7.9432 7.9467 9.9179 9.9272 9.9495 9.9751 10.0806 10.1094 10.1703 10.2291 10.4434 10.4846 10.4957 10.5915 10.9227 10.9587 11.0266 11.0467 11.4276 11.4654 11.5136 11.5242 15.0210 15.0224 15.6539 15.6556 16.3596 16.3653 16.5583 16.5661 17.0890 17.0958 k =-0.2314 0.2767 0.6913 ( 2768 PWs) bands (ev): -8.3067 -8.3062 -7.8616 -7.8607 -5.4903 -5.4880 -5.3574 -5.3531 0.0214 0.0263 0.6713 0.6769 2.7784 2.7879 2.9546 2.9630 4.5743 4.5788 4.8847 4.8905 6.0216 6.0248 6.1846 6.1889 7.0648 7.0674 7.3091 7.3129 7.8541 7.8612 7.9525 7.9569 9.9093 9.9170 9.9416 9.9689 10.0741 10.1041 10.1603 10.2254 10.4479 10.4900 10.4969 10.6038 10.9143 10.9512 11.0267 11.0470 11.4218 11.4706 11.5096 11.5276 14.9615 14.9628 15.6801 15.6831 16.3729 16.3796 16.5758 16.5832 17.0890 17.0962 k =-0.2384 0.2851 0.6803 ( 2766 PWs) bands (ev): -8.3307 -8.3302 -7.8429 -7.8420 -5.4942 -5.4920 -5.3429 -5.3384 -0.0069 -0.0019 0.7195 0.7253 2.7642 2.7737 2.9643 2.9727 4.5635 4.5684 4.9094 4.9154 6.0067 6.0098 6.1983 6.2024 7.0237 7.0264 7.2964 7.3003 7.8468 7.8541 7.9617 7.9672 9.8996 9.9064 9.9345 9.9628 10.0677 10.0977 10.1519 10.2217 10.4524 10.4921 10.5015 10.6162 10.9065 10.9436 11.0259 11.0463 11.4155 11.4748 11.5071 11.5322 14.9028 14.9039 15.7030 15.7072 16.3901 16.3978 16.5887 16.5957 17.0965 17.1042 k =-0.2455 0.2936 0.6692 ( 2770 PWs) bands (ev): -8.3531 -8.3527 -7.8256 -7.8246 -5.4980 -5.4958 -5.3284 -5.3237 -0.0346 -0.0294 0.7659 0.7719 2.7497 2.7593 2.9741 2.9824 4.5534 4.5586 4.9347 4.9411 5.9906 5.9937 6.2137 6.2176 6.9833 6.9861 7.2837 7.2877 7.8388 7.8466 7.9706 7.9774 9.8881 9.8963 9.9279 9.9565 10.0617 10.0906 10.1451 10.2181 10.4568 10.4926 10.5076 10.6285 10.8990 10.9358 11.0243 11.0447 11.4091 11.4760 11.5082 11.5378 14.8452 14.8462 15.7223 15.7276 16.4109 16.4195 16.5969 16.6037 17.1111 17.1193 k =-0.2526 0.3020 0.6582 ( 2767 PWs) bands (ev): -8.3740 -8.3735 -7.8097 -7.8087 -5.5016 -5.4995 -5.3140 -5.3090 -0.0614 -0.0562 0.8105 0.8167 2.7350 2.7447 2.9836 2.9919 4.5439 4.5494 4.9608 4.9674 5.9733 5.9764 6.2309 6.2346 6.9439 6.9470 7.2710 7.2752 7.8305 7.8388 7.9793 7.9875 9.8756 9.8868 9.9216 9.9503 10.0560 10.0833 10.1400 10.2147 10.4611 10.4931 10.5138 10.6407 10.8923 10.9277 11.0220 11.0426 11.4025 11.4735 11.5133 11.5441 14.7893 14.7903 15.7381 15.7445 16.4344 16.4438 16.6013 16.6080 17.1318 17.1407 k =-0.2596 0.3105 0.6472 ( 2765 PWs) bands (ev): -8.3932 -8.3928 -7.7952 -7.7942 -5.5050 -5.5029 -5.2998 -5.2947 -0.0872 -0.0818 0.8529 0.8594 2.7204 2.7301 2.9930 3.0011 4.5349 4.5407 4.9877 4.9945 5.9546 5.9578 6.2496 6.2531 6.9057 6.9090 7.2584 7.2628 7.8220 7.8308 7.9877 7.9973 9.8627 9.8774 9.9155 9.9442 10.0507 10.0763 10.1360 10.2113 10.4652 10.4938 10.5198 10.6526 10.8861 10.9194 11.0190 11.0404 11.3958 11.4687 11.5211 11.5509 14.7356 14.7366 15.7506 15.7580 16.4597 16.4693 16.6029 16.6099 17.1575 17.1671 k =-0.2667 0.3190 0.6362 ( 2761 PWs) bands (ev): -8.4108 -8.4104 -7.7821 -7.7810 -5.5081 -5.5061 -5.2862 -5.2809 -0.1117 -0.1062 0.8930 0.8996 2.7060 2.7158 3.0019 3.0100 4.5265 4.5324 5.0154 5.0223 5.9346 5.9379 6.2697 6.2730 6.8689 6.8725 7.2461 7.2506 7.8135 7.8228 7.9958 8.0067 9.8498 9.8679 9.9097 9.9382 10.0458 10.0698 10.1328 10.2083 10.4690 10.4947 10.5257 10.6642 10.8806 10.9110 11.0151 11.0385 11.3892 11.4627 11.5302 11.5581 14.6845 14.6856 15.7603 15.7684 16.4851 16.4942 16.6033 16.6112 17.1867 17.1970 k =-0.2738 0.3274 0.6252 ( 2757 PWs) bands (ev): -8.4268 -8.4264 -7.7704 -7.7692 -5.5110 -5.5091 -5.2731 -5.2676 -0.1347 -0.1291 0.9305 0.9373 2.6919 2.7018 3.0104 3.0184 4.5186 4.5247 5.0436 5.0506 5.9133 5.9167 6.2908 6.2941 6.8336 6.8375 7.2343 7.2390 7.8051 7.8150 8.0034 8.0156 9.8373 9.8584 9.9043 9.9324 10.0414 10.0643 10.1303 10.2054 10.4723 10.4957 10.5315 10.6752 10.8757 10.9026 11.0105 11.0370 11.3827 11.4565 11.5398 11.5654 14.6367 14.6378 15.7677 15.7764 16.5083 16.5160 16.6046 16.6143 17.2179 17.2290 k =-0.2808 0.3359 0.6141 ( 2752 PWs) bands (ev): -8.4411 -8.4407 -7.7599 -7.7587 -5.5137 -5.5118 -5.2609 -5.2553 -0.1560 -0.1503 0.9650 0.9720 2.6784 2.6883 3.0183 3.0262 4.5113 4.5175 5.0722 5.0792 5.8910 5.8946 6.3127 6.3160 6.7999 6.8040 7.2231 7.2279 7.7971 7.8076 8.0104 8.0239 9.8254 9.8491 9.8993 9.9268 10.0376 10.0596 10.1284 10.2028 10.4753 10.4969 10.5370 10.6857 10.8713 10.8944 11.0053 11.0360 11.3766 11.4502 11.5494 11.5725 14.5925 14.5936 15.7731 15.7822 16.5263 16.5317 16.6098 16.6220 17.2499 17.2617 k =-0.2879 0.3443 0.6031 ( 2756 PWs) bands (ev): -8.4538 -8.4534 -7.7508 -7.7495 -5.5160 -5.5142 -5.2497 -5.2439 -0.1753 -0.1695 0.9964 1.0035 2.6658 2.6757 3.0256 3.0333 4.5046 4.5109 5.1007 5.1076 5.8680 5.8718 6.3351 6.3385 6.7679 6.7723 7.2126 7.2175 7.7896 7.8006 8.0169 8.0315 9.8144 9.8402 9.8948 9.9216 10.0342 10.0557 10.1267 10.2004 10.4778 10.4980 10.5422 10.6953 10.8676 10.8865 10.9997 11.0356 11.3709 11.4441 11.5587 11.5792 14.5524 14.5535 15.7769 15.7864 16.5365 16.5397 16.6211 16.6356 17.2815 17.2939 k =-0.2950 0.3528 0.5921 ( 2751 PWs) bands (ev): -8.4648 -8.4644 -7.7429 -7.7416 -5.5181 -5.5163 -5.2396 -5.2337 -0.1925 -0.1866 1.0243 1.0316 2.6541 2.6641 3.0320 3.0397 4.4987 4.5050 5.1285 5.1353 5.8449 5.8488 6.3577 6.3611 6.7379 6.7424 7.2031 7.2081 7.7828 7.7942 8.0226 8.0384 9.8045 9.8319 9.8908 9.9168 10.0313 10.0527 10.1254 10.1983 10.4800 10.4993 10.5471 10.7042 10.8643 10.8791 10.9942 11.0355 11.3657 11.4386 11.5677 11.5854 14.5167 14.5178 15.7796 15.7893 16.5397 16.5417 16.6374 16.6531 17.3114 17.3245 k =-0.3021 0.3612 0.5811 ( 2751 PWs) bands (ev): -8.4741 -8.4737 -7.7363 -7.7350 -5.5199 -5.5181 -5.2308 -5.2247 -0.2073 -0.2014 1.0485 1.0559 2.6438 2.6538 3.0376 3.0452 4.4935 4.4998 5.1551 5.1616 5.8224 5.8264 6.3800 6.3835 6.7099 6.7146 7.1947 7.1997 7.7767 7.7886 8.0276 8.0443 9.7957 9.8245 9.8873 9.9125 10.0289 10.0503 10.1243 10.1965 10.4817 10.5004 10.5515 10.7119 10.8615 10.8726 10.9891 11.0357 11.3611 11.4336 11.5757 11.5906 14.4859 14.4870 15.7814 15.7912 16.5391 16.5405 16.6552 16.6715 17.3387 17.3524 k =-0.3091 0.3697 0.5701 ( 2755 PWs) bands (ev): -8.4817 -8.4813 -7.7309 -7.7296 -5.5213 -5.5196 -5.2234 -5.2172 -0.2197 -0.2137 1.0687 1.0763 2.6350 2.6449 3.0423 3.0498 4.4891 4.4955 5.1793 5.1855 5.8014 5.8056 6.4014 6.4049 6.6844 6.6890 7.1875 7.1926 7.7716 7.7838 8.0318 8.0493 9.7884 9.8182 9.8845 9.9089 10.0270 10.0485 10.1234 10.1950 10.4831 10.5013 10.5553 10.7185 10.8591 10.8670 10.9844 11.0360 11.3572 11.4293 11.5829 11.5949 14.4603 14.4612 15.7826 15.7925 16.5370 16.5380 16.6720 16.6884 17.3625 17.3767 k =-0.3162 0.3781 0.5590 ( 2756 PWs) bands (ev): -8.4877 -8.4873 -7.7267 -7.7254 -5.5225 -5.5208 -5.2175 -5.2113 -0.2295 -0.2234 1.0846 1.0923 2.6278 2.6378 3.0461 3.0534 4.4857 4.4920 5.2002 5.2061 5.7831 5.7873 6.4211 6.4246 6.6619 6.6663 7.1817 7.1869 7.7675 7.7800 8.0351 8.0532 9.7825 9.8131 9.8822 9.9060 10.0255 10.0472 10.1227 10.1939 10.4841 10.5021 10.5585 10.7238 10.8569 10.8628 10.9805 11.0363 11.3540 11.4258 11.5890 11.5981 14.4401 14.4409 15.7833 15.7933 16.5345 16.5353 16.6862 16.7026 17.3820 17.3966 k =-0.3233 0.3866 0.5480 ( 2753 PWs) bands (ev): -8.4919 -8.4915 -7.7238 -7.7224 -5.5233 -5.5216 -5.2132 -5.2070 -0.2365 -0.2304 1.0962 1.1040 2.6226 2.6326 3.0488 3.0561 4.4832 4.4895 5.2164 5.2220 5.7688 5.7729 6.4377 6.4411 6.6436 6.6477 7.1775 7.1828 7.7645 7.7772 8.0375 8.0561 9.7783 9.8093 9.8807 9.9039 10.0245 10.0463 10.1222 10.1930 10.4849 10.5028 10.5609 10.7277 10.8550 10.8600 10.9777 11.0366 11.3518 11.4234 11.5939 11.6000 14.4256 14.4262 15.7838 15.7937 16.5324 16.5331 16.6968 16.7132 17.3964 17.4113 k =-0.3303 0.3950 0.5370 ( 2755 PWs) bands (ev): -8.4945 -8.4941 -7.7220 -7.7207 -5.5238 -5.5221 -5.2107 -5.2044 -0.2408 -0.2347 1.1032 1.1110 2.6194 2.6294 3.0504 3.0577 4.4816 4.4880 5.2268 5.2321 5.7595 5.7637 6.4494 6.4525 6.6313 6.6350 7.1750 7.1802 7.7627 7.7755 8.0389 8.0578 9.7757 9.8070 9.8797 9.9025 10.0239 10.0458 10.1219 10.1925 10.4854 10.5032 10.5623 10.7300 10.8536 10.8585 10.9759 11.0368 11.3504 11.4218 11.5975 11.6006 14.4168 14.4173 15.7840 15.7940 16.5311 16.5317 16.7034 16.7197 17.4053 17.4204 k =-0.3374 0.4035 0.5260 ( 2753 PWs) bands (ev): -8.4953 -8.4949 -7.7214 -7.7201 -5.5239 -5.5223 -5.2098 -5.2035 -0.2422 -0.2361 1.1056 1.1134 2.6183 2.6284 3.0509 3.0582 4.4811 4.4875 5.2304 5.2356 5.7564 5.7605 6.4537 6.4566 6.6268 6.6303 7.1741 7.1794 7.7621 7.7750 8.0394 8.0584 9.7749 9.8063 9.8794 9.9021 10.0237 10.0457 10.1218 10.1924 10.4855 10.5033 10.5628 10.7309 10.8531 10.8580 10.9753 11.0369 11.3500 11.4213 11.5994 11.6001 14.4139 14.4143 15.7841 15.7940 16.5306 16.5312 16.7056 16.7219 17.4083 17.4235 k =-0.3374 0.4035 0.5260 ( 2753 PWs) bands (ev): -8.4953 -8.4949 -7.7214 -7.7201 -5.5239 -5.5223 -5.2098 -5.2035 -0.2422 -0.2361 1.1056 1.1134 2.6183 2.6284 3.0509 3.0582 4.4811 4.4875 5.2304 5.2356 5.7564 5.7605 6.4537 6.4566 6.6268 6.6303 7.1741 7.1794 7.7621 7.7750 8.0394 8.0584 9.7749 9.8063 9.8794 9.9021 10.0237 10.0457 10.1218 10.1924 10.4855 10.5033 10.5628 10.7309 10.8531 10.8580 10.9753 11.0369 11.3500 11.4213 11.5994 11.6001 14.4139 14.4143 15.7841 15.7940 16.5306 16.5312 16.7056 16.7219 17.4083 17.4235 k =-0.3304 0.3951 0.5150 ( 2753 PWs) bands (ev): -8.5224 -8.5220 -7.6797 -7.6783 -5.5320 -5.5302 -5.2060 -5.1995 -0.2979 -0.2918 1.1380 1.1461 2.5861 2.5963 3.0548 3.0619 4.4866 4.4933 5.2098 5.2151 5.8002 5.8048 6.4858 6.4890 6.6382 6.6419 7.2287 7.2343 7.7235 7.7361 8.0055 8.0235 9.7737 9.8057 9.8871 9.9095 10.0306 10.0528 10.1313 10.2037 10.4778 10.4979 10.5578 10.7283 10.8380 10.8392 10.9677 11.0298 11.3482 11.4198 11.5985 11.6006 14.3941 14.3941 15.8356 15.8453 16.5967 16.5976 16.7578 16.7730 17.4147 17.4304 k =-0.3233 0.3867 0.5041 ( 2757 PWs) bands (ev): -8.5506 -8.5502 -7.6364 -7.6349 -5.5388 -5.5369 -5.2021 -5.1954 -0.3551 -0.3491 1.1687 1.1770 2.5538 2.5642 3.0590 3.0660 4.4959 4.5031 5.1915 5.1969 5.8440 5.8490 6.5184 6.5220 6.6472 6.6513 7.2818 7.2876 7.6857 7.6981 7.9701 7.9870 9.7732 9.8053 9.8951 9.9175 10.0362 10.0604 10.1394 10.2150 10.4701 10.4927 10.5517 10.7243 10.8186 10.8256 10.9609 11.0235 11.3459 11.4173 11.5953 11.6001 14.3787 14.3791 15.8884 15.8977 16.6568 16.6594 16.8045 16.8186 17.4297 17.4462 k =-0.3163 0.3783 0.4931 ( 2757 PWs) bands (ev): -8.5798 -8.5794 -7.5915 -7.5900 -5.5442 -5.5422 -5.1982 -5.1913 -0.4137 -0.4077 1.1977 1.2062 2.5215 2.5321 3.0634 3.0702 4.5088 4.5163 5.1758 5.1812 5.8877 5.8930 6.5515 6.5553 6.6539 6.6582 7.3331 7.3392 7.6490 7.6611 7.9334 7.9491 9.7733 9.8052 9.9037 9.9261 10.0402 10.0683 10.1462 10.2263 10.4623 10.4874 10.5447 10.7189 10.8000 10.8127 10.9548 11.0181 11.3429 11.4141 11.5904 11.5979 14.3680 14.3688 15.9416 15.9506 16.7106 16.7148 16.8446 16.8574 17.4544 17.4714 k =-0.3093 0.3699 0.4821 ( 2757 PWs) bands (ev): -8.6100 -8.6096 -7.5451 -7.5436 -5.5484 -5.5462 -5.1943 -5.1873 -0.4736 -0.4677 1.2249 1.2335 2.4892 2.5000 3.0679 3.0744 4.5248 4.5327 5.1630 5.1685 5.9311 5.9368 6.5850 6.5889 6.6582 6.6627 7.3826 7.3890 7.6134 7.6252 7.8953 7.9098 9.7739 9.8053 9.9125 9.9353 10.0429 10.0766 10.1514 10.2376 10.4546 10.4822 10.5368 10.7123 10.7822 10.8003 10.9494 11.0135 11.3394 11.4101 11.5841 11.5943 14.3621 14.3633 15.9947 16.0034 16.7577 16.7634 16.8770 16.8885 17.4891 17.5066 k =-0.3023 0.3615 0.4712 ( 2763 PWs) bands (ev): -8.6410 -8.6407 -7.4972 -7.4956 -5.5512 -5.5489 -5.1905 -5.1832 -0.5346 -0.5289 1.2503 1.2591 2.4572 2.4682 3.0723 3.0786 4.5434 4.5516 5.1537 5.1593 5.9740 5.9802 6.6186 6.6226 6.6598 6.6646 7.4301 7.4370 7.5791 7.5907 7.8560 7.8691 9.7752 9.8056 9.9217 9.9449 10.0443 10.0850 10.1549 10.2488 10.4472 10.4772 10.5281 10.7045 10.7653 10.7885 10.9447 11.0097 11.3354 11.4055 11.5764 11.5893 14.3610 14.3626 16.0468 16.0553 16.7979 16.8050 16.9005 16.9109 17.5336 17.5512 k =-0.2952 0.3531 0.4602 ( 2763 PWs) bands (ev): -8.6729 -8.6726 -7.4479 -7.4462 -5.5527 -5.5502 -5.1866 -5.1792 -0.5968 -0.5912 1.2740 1.2829 2.4255 2.4366 3.0766 3.0827 4.5639 4.5724 5.1484 5.1540 6.0164 6.0230 6.6521 6.6553 6.6587 6.6647 7.4754 7.4829 7.5464 7.5581 7.8157 7.8274 9.7769 9.8061 9.9311 9.9550 10.0447 10.0935 10.1568 10.2599 10.4401 10.4725 10.5187 10.6956 10.7494 10.7773 10.9408 11.0069 11.3309 11.4004 11.5676 11.5831 14.3645 14.3665 16.0970 16.1054 16.8321 16.8403 16.9146 16.9237 17.5869 17.6045 k =-0.2882 0.3447 0.4493 ( 2759 PWs) bands (ev): -8.7055 -8.7053 -7.3971 -7.3954 -5.5529 -5.5503 -5.1828 -5.1753 -0.6600 -0.6545 1.2961 1.3051 2.3942 2.4054 3.0806 3.0864 4.5855 4.5942 5.1480 5.1535 6.0582 6.0652 6.6547 6.6593 6.6858 6.6906 7.5122 7.5131 7.5289 7.5335 7.7746 7.7848 9.7791 9.8068 9.9409 9.9654 10.0441 10.1018 10.1572 10.2708 10.4334 10.4680 10.5089 10.6859 10.7345 10.7670 10.9377 11.0049 11.3259 11.3948 11.5579 11.5760 14.3726 14.3749 16.1444 16.1527 16.8611 16.8703 16.9185 16.9265 17.6202 17.6216 k =-0.2812 0.3362 0.4383 ( 2759 PWs) bands (ev): -8.7388 -8.7385 -7.3449 -7.3431 -5.5518 -5.5491 -5.1790 -5.1714 -0.7241 -0.7188 1.3167 1.3258 2.3633 2.3747 3.0842 3.0896 4.6072 4.6160 5.1530 5.1584 6.0991 6.1065 6.6480 6.6529 6.7189 6.7235 7.4847 7.4934 7.5642 7.5698 7.7331 7.7417 9.7817 9.8076 9.9507 9.9759 10.0428 10.1101 10.1560 10.2815 10.4271 10.4638 10.4987 10.6754 10.7205 10.7573 10.9353 11.0037 11.3205 11.3888 11.5475 11.5682 14.3851 14.3877 16.1876 16.1959 16.8862 16.8961 16.9123 16.9193 17.5024 17.5026 k =-0.2741 0.3278 0.4274 ( 2755 PWs) bands (ev): -8.7726 -8.7723 -7.2913 -7.2895 -5.5496 -5.5467 -5.1753 -5.1676 -0.7891 -0.7840 1.3359 1.3451 2.3330 2.3446 3.0871 3.0922 4.6280 4.6368 5.1643 5.1695 6.1390 6.1469 6.6382 6.6433 6.7515 6.7559 7.4568 7.4658 7.6033 7.6098 7.6915 7.6985 9.7846 9.8084 9.9606 9.9865 10.0410 10.1183 10.1536 10.2920 10.4214 10.4598 10.4884 10.6646 10.7074 10.7482 10.9336 11.0034 11.3145 11.3826 11.5365 11.5597 14.4017 14.4045 16.2249 16.2337 16.8962 16.9023 16.9083 16.9190 17.3849 17.3855 k =-0.2671 0.3194 0.4164 ( 2755 PWs) bands (ev): -8.8068 -8.8066 -7.2364 -7.2346 -5.5462 -5.5432 -5.1717 -5.1638 -0.8549 -0.8499 1.3540 1.3632 2.3033 2.3150 3.0894 3.0941 4.6472 4.6558 5.1825 5.1873 6.1776 6.1860 6.6254 6.6307 6.7832 6.7874 7.4304 7.4393 7.6394 7.6454 7.6528 7.6572 9.7876 9.8092 9.9706 9.9969 10.0388 10.1265 10.1499 10.3021 10.4163 10.4563 10.4782 10.6535 10.6953 10.7397 10.9326 11.0039 11.3080 11.3760 11.5251 11.5507 14.4222 14.4252 16.2544 16.2640 16.8709 16.8761 16.9285 16.9397 17.2713 17.2719 k =-0.2601 0.3110 0.4054 ( 2739 PWs) bands (ev): -8.8414 -8.8412 -7.1803 -7.1783 -5.5416 -5.5386 -5.1682 -5.1602 -0.9214 -0.9165 1.3712 1.3803 2.2744 2.2862 3.0908 3.0951 4.6639 4.6723 5.2081 5.2124 6.2148 6.2236 6.6097 6.6150 6.8138 6.8176 7.4057 7.4143 7.6102 7.6130 7.6778 7.6842 9.7908 9.8100 9.9804 10.0066 10.0368 10.1348 10.1455 10.3119 10.4118 10.4531 10.4684 10.6427 10.6840 10.7319 10.9324 11.0052 11.3011 11.3693 11.5137 11.5416 14.4462 14.4494 16.2736 16.2843 16.8368 16.8409 16.9475 16.9591 17.1649 17.1650 k =-0.2531 0.3026 0.3945 ( 2739 PWs) bands (ev): -8.8763 -8.8761 -7.1228 -7.1209 -5.5361 -5.5329 -5.1647 -5.1567 -0.9885 -0.9838 1.3875 1.3966 2.2462 2.2582 3.0912 3.0951 4.6780 4.6859 5.2410 5.2448 6.2501 6.2594 6.5907 6.5962 6.8428 6.8462 7.3821 7.3904 7.5728 7.5738 7.7114 7.7181 9.7939 9.8107 9.9899 10.0145 10.0357 10.1405 10.1432 10.3212 10.4079 10.4502 10.4591 10.6322 10.6735 10.7245 10.9329 11.0072 11.2935 11.3622 11.5021 11.5322 14.4733 14.4766 16.2791 16.2916 16.7932 16.7957 16.9657 16.9776 17.0695 17.0715 k =-0.2460 0.2942 0.3835 ( 2743 PWs) bands (ev): -8.9113 -8.9111 -7.0642 -7.0622 -5.5296 -5.5263 -5.1614 -5.1533 -1.0562 -1.0517 1.4032 1.4122 2.2189 2.2310 3.0905 3.0939 4.6892 4.6967 5.2809 5.2841 6.2832 6.2931 6.5687 6.5742 6.8699 6.8726 7.3591 7.3669 7.5383 7.5391 7.7432 7.7499 9.7968 9.8111 9.9988 10.0187 10.0376 10.1354 10.1521 10.3300 10.4046 10.4476 10.4506 10.6224 10.6637 10.7173 10.9340 11.0100 11.2852 11.3550 11.4906 11.5228 14.5030 14.5064 16.2677 16.2825 16.7381 16.7386 16.9833 16.9927 16.9944 16.9991 k =-0.2390 0.2858 0.3726 ( 2745 PWs) bands (ev): -8.9464 -8.9462 -7.0045 -7.0024 -5.5222 -5.5187 -5.1582 -5.1500 -1.1244 -1.1201 1.4184 1.4274 2.1925 2.2047 3.0885 3.0915 4.6979 4.7050 5.3274 5.3300 6.3136 6.3240 6.5435 6.5491 6.8947 6.8967 7.3361 7.3431 7.5083 7.5108 7.7730 7.7798 9.7995 9.8115 10.0068 10.0186 10.0428 10.1306 10.1615 10.3383 10.4020 10.4431 10.4453 10.6136 10.6547 10.7105 10.9359 11.0134 11.2764 11.3475 11.4794 11.5135 14.5347 14.5382 16.2366 16.2539 16.6694 16.6709 16.9395 16.9479 17.0014 17.0140 k =-0.2320 0.2774 0.3616 ( 2751 PWs) bands (ev): -8.9814 -8.9813 -6.9436 -6.9415 -5.5140 -5.5104 -5.1551 -5.1468 -1.1930 -1.1889 1.4335 1.4424 2.1672 2.1795 3.0853 3.0878 4.7044 4.7111 5.3796 5.3816 6.3407 6.3518 6.5153 6.5209 6.9169 6.9181 7.3123 7.3182 7.4857 7.4896 7.8009 7.8076 9.8019 9.8118 10.0136 10.0164 10.0491 10.1266 10.1717 10.3461 10.4000 10.4367 10.4433 10.6058 10.6462 10.7040 10.9384 11.0176 11.2670 11.3397 11.4685 11.5044 14.5678 14.5713 16.1849 16.2048 16.5930 16.5954 16.9097 16.9204 17.0191 17.0320 k =-0.2249 0.2690 0.3507 ( 2755 PWs) bands (ev): -9.0164 -9.0163 -6.8817 -6.8795 -5.5050 -5.5014 -5.1521 -5.1438 -1.2620 -1.2581 1.4485 1.4573 2.1429 2.1553 3.0806 3.0827 4.7093 4.7155 5.4368 5.4383 6.3639 6.3755 6.4840 6.4896 6.9363 6.9368 7.2875 7.2919 7.4717 7.4765 7.8268 7.8334 9.8041 9.8119 10.0135 10.0187 10.0549 10.1240 10.1828 10.3533 10.3988 10.4318 10.4417 10.5993 10.6383 10.6976 10.9417 11.0225 11.2570 11.3318 11.4580 11.4956 14.6014 14.6049 16.1139 16.1362 16.5154 16.5181 16.8976 16.9096 17.0371 17.0501 k =-0.2179 0.2606 0.3397 ( 2755 PWs) bands (ev): -9.0511 -9.0510 -6.8188 -6.8166 -5.4954 -5.4917 -5.1492 -5.1409 -1.3313 -1.3276 1.4636 1.4722 2.1197 2.1322 3.0745 3.0760 4.7130 4.7189 5.4981 5.4991 6.3823 6.3946 6.4498 6.4555 6.9527 6.9530 7.2625 7.2650 7.4662 7.4716 7.8509 7.8573 9.8059 9.8120 10.0105 10.0218 10.0598 10.1232 10.1948 10.3598 10.3983 10.4286 10.4404 10.5943 10.6310 10.6915 10.9456 11.0280 11.2466 11.3237 11.4479 11.4871 14.6344 14.6381 16.0270 16.0512 16.4406 16.4434 16.8976 16.9104 17.0552 17.0684 k =-0.2109 0.2522 0.3287 ( 2751 PWs) bands (ev): -9.0855 -9.0854 -6.7550 -6.7528 -5.4853 -5.4814 -5.1465 -5.1382 -1.4009 -1.3974 1.4789 1.4874 2.0977 2.1103 3.0667 3.0678 4.7158 4.7214 5.5630 5.5636 6.3948 6.4080 6.4127 6.4187 6.9665 6.9674 7.2383 7.2391 7.4684 7.4743 7.8731 7.8794 9.8074 9.8121 10.0076 10.0227 10.0635 10.1243 10.2077 10.3656 10.3984 10.4275 10.4394 10.5909 10.6241 10.6856 10.9503 11.0342 11.2358 11.3156 11.4383 11.4790 14.6659 14.6695 15.9284 15.9541 16.3705 16.3734 16.9059 16.9190 17.0735 17.0868 k =-0.2038 0.2438 0.3178 ( 2759 PWs) bands (ev): -9.1196 -9.1195 -6.6903 -6.6880 -5.4746 -5.4706 -5.1440 -5.1357 -1.4707 -1.4674 1.4946 1.5030 2.0770 2.0897 3.0574 3.0579 4.7181 4.7235 5.6306 5.6309 6.3729 6.3779 6.4022 6.4149 6.9789 6.9802 7.2152 7.2160 7.4773 7.4834 7.8935 7.8995 9.8084 9.8122 10.0047 10.0216 10.0660 10.1269 10.2212 10.3705 10.3987 10.4288 10.4386 10.5891 10.6177 10.6798 10.9555 11.0408 11.2247 11.3072 11.4292 11.4713 14.6942 14.6979 15.8216 15.8484 16.3063 16.3095 16.9199 16.9331 17.0921 17.1054 k =-0.1968 0.2354 0.3068 ( 2759 PWs) bands (ev): -9.1532 -9.1531 -6.6248 -6.6225 -5.4635 -5.4595 -5.1416 -5.1333 -1.5406 -1.5375 1.5109 1.5191 2.0575 2.0703 3.0464 3.0464 4.7202 4.7253 5.7005 5.7005 6.3306 6.3358 6.4014 6.4147 6.9908 6.9924 7.1945 7.1965 7.4916 7.4978 7.9122 7.9179 9.8092 9.8123 10.0021 10.0191 10.0674 10.1307 10.2354 10.3748 10.3993 10.4327 10.4382 10.5889 10.6118 10.6743 10.9614 11.0481 11.2134 11.2989 11.4206 11.4640 14.7180 14.7218 15.7095 15.7373 16.2492 16.2529 16.9380 16.9511 17.1108 17.1242 k =-0.1898 0.2270 0.2959 ( 2747 PWs) bands (ev): -9.1862 -9.1862 -6.5586 -6.5563 -5.4521 -5.4479 -5.1394 -5.1311 -1.6106 -1.6077 1.5278 1.5358 2.0394 2.0523 3.0332 3.0337 4.7223 4.7272 5.7719 5.7721 6.2859 6.2911 6.3936 6.4070 7.0034 7.0050 7.1772 7.1801 7.5102 7.5165 7.9291 7.9346 9.8098 9.8127 9.9999 10.0157 10.0680 10.1352 10.2499 10.3786 10.4002 10.4379 10.4392 10.5905 10.6063 10.6691 10.9679 11.0559 11.2020 11.2906 11.4124 11.4572 14.7355 14.7394 15.5943 15.6228 16.2005 16.2049 16.9593 16.9722 17.1299 17.1432 k =-0.1828 0.2186 0.2849 ( 2743 PWs) bands (ev): -9.2187 -9.2186 -6.4918 -6.4895 -5.4404 -5.4362 -5.1373 -5.1290 -1.6806 -1.6779 1.5454 1.5532 2.0227 2.0356 3.0183 3.0194 4.7245 4.7292 5.8446 5.8450 6.2390 6.2441 6.3786 6.3920 7.0173 7.0187 7.1635 7.1669 7.5323 7.5386 7.9445 7.9497 9.8101 9.8132 9.9980 10.0117 10.0677 10.1397 10.2643 10.3819 10.4011 10.4380 10.4479 10.5936 10.6014 10.6641 10.9750 11.0641 11.1907 11.2824 11.4048 11.4508 14.7451 14.7490 15.4774 15.5064 16.1619 16.1669 16.9834 16.9960 17.1490 17.1623 k =-0.1757 0.2102 0.2739 ( 2743 PWs) bands (ev): -9.2504 -9.2504 -6.4245 -6.4221 -5.4285 -5.4242 -5.1354 -5.1272 -1.7506 -1.7481 1.5637 1.5714 2.0075 2.0204 3.0018 3.0033 4.7268 4.7315 5.9179 5.9184 6.1903 6.1953 6.3572 6.3703 7.0329 7.0340 7.1531 7.1568 7.5570 7.5631 7.9583 7.9631 9.8103 9.8139 9.9964 10.0074 10.0668 10.1441 10.2785 10.3848 10.4023 10.4381 10.4585 10.5969 10.5982 10.6597 10.9827 11.0726 11.1796 11.2744 11.3975 11.4447 14.7452 14.7492 15.3598 15.3893 16.1348 16.1404 17.0098 17.0221 17.1684 17.1816 k =-0.1687 0.2017 0.2630 ( 2739 PWs) bands (ev): -9.2814 -9.2814 -6.3567 -6.3543 -5.4164 -5.4121 -5.1336 -5.1255 -1.8205 -1.8182 1.5828 1.5903 1.9937 2.0066 2.9835 2.9856 4.7295 4.7340 5.9906 5.9912 6.1411 6.1458 6.3301 6.3428 7.0503 7.0509 7.1459 7.1494 7.5836 7.5894 7.9707 7.9751 9.8105 9.8150 9.9952 10.0032 10.0651 10.1479 10.2923 10.3876 10.4037 10.4385 10.4705 10.5933 10.6038 10.6562 10.9909 11.0813 11.1692 11.2667 11.3907 11.4390 14.7349 14.7389 15.2424 15.2722 16.1202 16.1264 17.0386 17.0504 17.1880 17.2011 k =-0.1617 0.1933 0.2520 ( 2739 PWs) bands (ev): -9.3116 -9.3116 -6.2885 -6.2862 -5.4044 -5.4000 -5.1320 -5.1240 -1.8902 -1.8881 1.6028 1.6100 1.9814 1.9943 2.9637 2.9663 4.7325 4.7369 6.0515 6.0526 6.1028 6.1057 6.2985 6.3105 7.0689 7.0690 7.1418 7.1447 7.6114 7.6171 7.9816 7.9857 9.8106 9.8163 9.9944 9.9992 10.0630 10.1512 10.3054 10.3904 10.4053 10.4390 10.4835 10.5906 10.6097 10.6543 10.9996 11.0897 11.1597 11.2594 11.3844 11.4337 14.7138 14.7176 15.1258 15.1558 16.1185 16.1253 17.0696 17.0809 17.2079 17.2207 k =-0.1546 0.1849 0.2411 ( 2733 PWs) bands (ev): -9.3410 -9.3409 -6.2202 -6.2178 -5.3923 -5.3879 -5.1306 -5.1226 -1.9597 -1.9577 1.6235 1.6306 1.9706 1.9836 2.9423 2.9454 4.7359 4.7402 6.0247 6.0291 6.1496 6.1501 6.2634 6.2748 7.0869 7.0884 7.1412 7.1427 7.6401 7.6454 7.9912 7.9950 9.8108 9.8180 9.9940 9.9955 10.0604 10.1538 10.3179 10.3931 10.4070 10.4397 10.4967 10.5894 10.6146 10.6553 11.0088 11.0973 11.1520 11.2527 11.3786 11.4288 14.6823 14.6858 15.0105 15.0407 16.1294 16.1367 17.1026 17.1134 17.2280 17.2407 k =-0.1476 0.1765 0.2301 ( 2735 PWs) bands (ev): -9.3693 -9.3693 -6.1517 -6.1493 -5.3803 -5.3758 -5.1293 -5.1214 -2.0288 -2.0270 1.6451 1.6520 1.9614 1.9743 2.9194 2.9230 4.7396 4.7438 5.9719 5.9763 6.2210 6.2211 6.2258 6.2372 7.1024 7.1064 7.1448 7.1458 7.6692 7.6742 7.9997 8.0031 9.8111 9.8200 9.9923 9.9940 10.0576 10.1558 10.3293 10.3959 10.4086 10.4405 10.5091 10.5902 10.6168 10.6604 11.0183 11.1028 11.1474 11.2466 11.3732 11.4242 14.6414 14.6444 14.8971 14.9271 16.1521 16.1597 17.1376 17.1477 17.2483 17.2608 k =-0.1406 0.1681 0.2192 ( 2735 PWs) bands (ev): -9.3967 -9.3967 -6.0833 -6.0809 -5.3684 -5.3639 -5.1282 -5.1205 -2.0974 -2.0958 1.6674 1.6741 1.9538 1.9667 2.8952 2.8993 4.7437 4.7478 5.9166 5.9208 6.1866 6.1963 6.2938 6.2949 7.1126 7.1193 7.1541 7.1578 7.6984 7.7031 8.0070 8.0101 9.8116 9.8224 9.9895 9.9943 10.0547 10.1571 10.3399 10.3988 10.4104 10.4414 10.5196 10.5940 10.6164 10.6696 11.0283 11.1047 11.1475 11.2413 11.3681 11.4199 14.5924 14.5947 14.7860 14.8156 16.1852 16.1929 17.1744 17.1839 17.2691 17.2814 k =-0.1336 0.1597 0.2082 ( 2741 PWs) bands (ev): -9.4231 -9.4231 -6.0150 -6.0127 -5.3566 -5.3522 -5.1272 -5.1196 -2.1655 -2.1641 1.6905 1.6970 1.9478 1.9606 2.8697 2.8742 4.7480 4.7520 5.8602 5.8643 6.1465 6.1556 6.3660 6.3670 7.1183 7.1258 7.1712 7.1758 7.7274 7.7317 8.0133 8.0161 9.8123 9.8252 9.9871 9.9948 10.0516 10.1578 10.3495 10.4016 10.4121 10.4423 10.5271 10.6016 10.6143 10.6816 11.0386 11.1031 11.1525 11.2368 11.3635 11.4158 14.5370 14.5382 14.6777 14.7065 16.2271 16.2350 17.2128 17.2215 17.2902 17.3023 k =-0.1265 0.1513 0.1972 ( 2737 PWs) bands (ev): -9.4484 -9.4484 -5.9471 -5.9448 -5.3451 -5.3407 -5.1264 -5.1190 -2.2329 -2.2317 1.7141 1.7204 1.9434 1.9561 2.8430 2.8481 4.7527 4.7566 5.8034 5.8073 6.1063 6.1146 6.4370 6.4380 7.1222 7.1295 7.1922 7.1967 7.7559 7.7598 8.0186 8.0211 9.8133 9.8283 9.9853 9.9955 10.0489 10.1581 10.3582 10.4046 10.4139 10.4433 10.5314 10.6113 10.6129 10.6952 11.0493 11.1000 11.1605 11.2334 11.3594 11.4122 14.4760 14.4766 14.5730 14.6001 16.2766 16.2845 17.2524 17.2603 17.3118 17.3238 k =-0.1195 0.1429 0.1863 ( 2737 PWs) bands (ev): -9.4725 -9.4725 -5.8797 -5.8774 -5.3339 -5.3295 -5.1258 -5.1185 -2.2996 -2.2985 1.7383 1.7444 1.9406 1.9531 2.8154 2.8208 4.7576 4.7614 5.7466 5.7503 6.0664 6.0741 6.5064 6.5074 7.1256 7.1326 7.2142 7.2186 7.7837 7.7873 8.0231 8.0254 9.8145 9.8318 9.9840 9.9961 10.0465 10.1580 10.3659 10.4074 10.4156 10.4443 10.5332 10.6078 10.6269 10.7096 11.0604 11.0970 11.1701 11.2311 11.3558 11.4088 14.4086 14.4125 14.4732 14.4971 16.3322 16.3400 17.2931 17.3000 17.3339 17.3459 k =-0.1125 0.1345 0.1753 ( 2737 PWs) bands (ev): -9.4955 -9.4955 -5.8130 -5.8108 -5.3230 -5.3186 -5.1253 -5.1182 -2.3652 -2.3643 1.7628 1.7688 1.9394 1.9517 2.7869 2.7927 4.7627 4.7663 5.6902 5.6936 6.0273 6.0344 6.5741 6.5750 7.1291 7.1358 7.2365 7.2407 7.8107 7.8140 8.0269 8.0288 9.8160 9.8355 9.9831 9.9963 10.0450 10.1574 10.3728 10.4102 10.4173 10.4452 10.5335 10.6041 10.6422 10.7240 11.0717 11.0952 11.1804 11.2299 11.3526 11.4056 14.3343 14.3455 14.3815 14.3982 16.3929 16.4005 17.3344 17.3398 17.3567 17.3690 k =-0.1054 0.1261 0.1644 ( 2733 PWs) bands (ev): -9.5173 -9.5173 -5.7473 -5.7451 -5.3125 -5.3081 -5.1249 -5.1180 -2.4297 -2.4289 1.7875 1.7934 1.9398 1.9519 2.7577 2.7639 4.7679 4.7714 5.6345 5.6377 5.9894 5.9958 6.6395 6.6404 7.1327 7.1392 7.2584 7.2624 7.8367 7.8396 8.0299 8.0317 9.8178 9.8395 9.9826 9.9960 10.0445 10.1566 10.3789 10.4126 10.4192 10.4461 10.5330 10.6003 10.6582 10.7379 11.0834 11.0952 11.1909 11.2300 11.3499 11.4028 14.2516 14.2747 14.3011 14.3056 16.4577 16.4651 17.3757 17.3780 17.3801 17.3946 k =-0.0984 0.1177 0.1534 ( 2733 PWs) bands (ev): -9.5378 -9.5378 -5.6828 -5.6807 -5.3023 -5.2980 -5.1247 -5.1180 -2.4928 -2.4921 1.8123 1.8180 1.9417 1.9535 2.7280 2.7346 4.7732 4.7766 5.5798 5.5828 5.9530 5.9588 6.7024 6.7033 7.1366 7.1427 7.2796 7.2835 7.8615 7.8641 8.0324 8.0340 9.8198 9.8437 9.9825 9.9949 10.0452 10.1555 10.3843 10.4148 10.4211 10.4470 10.5319 10.5964 10.6739 10.7508 11.0954 11.0973 11.2014 11.2311 11.3478 11.4003 14.1648 14.1955 14.2255 14.2288 16.5257 16.5329 17.4041 17.4094 17.4171 17.4274 k =-0.0914 0.1093 0.1425 ( 2737 PWs) bands (ev): -9.5571 -9.5570 -5.6198 -5.6177 -5.2926 -5.2884 -5.1246 -5.1182 -2.5543 -2.5538 1.8369 1.8425 1.9453 1.9566 2.6980 2.7049 4.7785 4.7817 5.5266 5.5293 5.9182 5.9235 6.7626 6.7635 7.1405 7.1464 7.2999 7.3037 7.8850 7.8872 8.0344 8.0358 9.8221 9.8479 9.9827 9.9930 10.0473 10.1542 10.3890 10.4165 10.4232 10.4477 10.5306 10.5923 10.6890 10.7623 11.1017 11.1077 11.2117 11.2332 11.3463 11.3980 14.0792 14.1107 14.1560 14.1606 16.5965 16.6033 17.4289 17.4356 17.4574 17.4654 k =-0.0844 0.1009 0.1315 ( 2737 PWs) bands (ev): -9.5750 -9.5750 -5.5586 -5.5566 -5.2834 -5.2793 -5.1246 -5.1185 -2.6139 -2.6135 1.8610 1.8667 1.9503 1.9611 2.6680 2.6751 4.7837 4.7868 5.4752 5.4777 5.8855 5.8903 6.8197 6.8206 7.1446 7.1501 7.3193 7.3229 7.9071 7.9090 8.0360 8.0372 9.8246 9.8522 9.9830 9.9905 10.0506 10.1528 10.3931 10.4179 10.4254 10.4484 10.5293 10.5881 10.7031 10.7722 11.1086 11.1203 11.2216 11.2364 11.3455 11.3961 13.9971 14.0276 14.0910 14.0954 16.6693 16.6758 17.4543 17.4609 17.4963 17.5035 k =-0.0773 0.0925 0.1205 ( 2737 PWs) bands (ev): -9.5916 -9.5916 -5.4995 -5.4976 -5.2747 -5.2707 -5.1248 -5.1189 -2.6713 -2.6710 1.8844 1.8902 1.9568 1.9669 2.6381 2.6454 4.7889 4.7917 5.4260 5.4283 5.8549 5.8592 6.8735 6.8743 7.1487 7.1539 7.3375 7.3410 7.9277 7.9293 8.0373 8.0384 9.8273 9.8563 9.9835 9.9877 10.0550 10.1513 10.3968 10.4190 10.4276 10.4490 10.5281 10.5839 10.7161 10.7802 11.1176 11.1331 11.2309 11.2402 11.3453 11.3943 13.9193 13.9485 14.0292 14.0332 16.7438 16.7500 17.4797 17.4856 17.5325 17.5400 k =-0.0703 0.0841 0.1096 ( 2737 PWs) bands (ev): -9.6068 -9.6068 -5.4430 -5.4413 -5.2665 -5.2627 -5.1250 -5.1194 -2.7261 -2.7260 1.9068 1.9129 1.9648 1.9739 2.6086 2.6160 4.7938 4.7965 5.3794 5.3814 5.8265 5.8304 6.9237 6.9244 7.1527 7.1576 7.3545 7.3577 7.9466 7.9479 8.0384 8.0393 9.8302 9.8601 9.9841 9.9848 10.0602 10.1497 10.4000 10.4199 10.4297 10.4494 10.5270 10.5795 10.7279 10.7864 11.1286 11.1459 11.2394 11.2447 11.3459 11.3929 13.8465 13.8741 13.9709 13.9743 16.8196 16.8253 17.5033 17.5078 17.5599 17.5720 k =-0.0633 0.0757 0.0986 ( 2747 PWs) bands (ev): -9.6207 -9.6207 -5.3895 -5.3879 -5.2589 -5.2553 -5.1252 -5.1201 -2.7780 -2.7780 1.9278 1.9343 1.9741 1.9820 2.5798 2.5872 4.7985 4.8010 5.3357 5.3375 5.8006 5.8040 6.9699 6.9706 7.1566 7.1611 7.3701 7.3731 7.9638 7.9649 8.0392 8.0401 9.8332 9.8634 9.9819 9.9845 10.0659 10.1480 10.4028 10.4205 10.4317 10.4496 10.5261 10.5749 10.7384 10.7910 11.1410 11.1586 11.2470 11.2494 11.3473 11.3917 13.7792 13.8050 13.9163 13.9193 16.8961 16.9015 17.5180 17.5216 17.5694 17.5838 k =-0.0562 0.0672 0.0877 ( 2745 PWs) bands (ev): -9.6331 -9.6331 -5.3395 -5.3381 -5.2518 -5.2485 -5.1255 -5.1208 -2.8266 -2.8265 1.9471 1.9543 1.9846 1.9910 2.5521 2.5594 4.8029 4.8051 5.2954 5.2970 5.7772 5.7801 7.0120 7.0126 7.1603 7.1644 7.3843 7.3870 7.9793 7.9800 8.0400 8.0409 9.8364 9.8663 9.9795 9.9849 10.0722 10.1463 10.4053 10.4209 10.4336 10.4497 10.5254 10.5703 10.7476 10.7941 11.1544 11.1710 11.2535 11.2542 11.3496 11.3908 13.7178 13.7416 13.8660 13.8686 16.9732 16.9781 17.5172 17.5215 17.5890 17.6010 k =-0.0492 0.0588 0.0767 ( 2749 PWs) bands (ev): -9.6442 -9.6441 -5.2935 -5.2924 -5.2452 -5.2424 -5.1259 -5.1216 -2.8712 -2.8712 1.9644 1.9725 1.9962 2.0007 2.5258 2.5329 4.8070 4.8089 5.2588 5.2602 5.7564 5.7589 7.0498 7.0503 7.1637 7.1674 7.3970 7.3995 7.9929 7.9934 8.0408 8.0417 9.8397 9.8685 9.9775 9.9851 10.0787 10.1444 10.4075 10.4211 10.4354 10.4497 10.5251 10.5656 10.7557 10.7959 11.1683 11.1829 11.2587 11.2588 11.3527 11.3901 13.6626 13.6842 13.8204 13.8227 17.0502 17.0547 17.5092 17.5139 17.6176 17.6278 k =-0.0422 0.0504 0.0657 ( 2749 PWs) bands (ev): -9.6537 -9.6537 -5.2526 -5.2522 -5.2380 -5.2369 -5.1261 -5.1224 -2.9115 -2.9114 1.9796 1.9884 2.0084 2.0110 2.5013 2.5081 4.8106 4.8123 5.2263 5.2275 5.7382 5.7404 7.0829 7.0834 7.1669 7.1700 7.4082 7.4103 8.0045 8.0047 8.0417 8.0426 9.8431 9.8700 9.9762 9.9851 10.0854 10.1423 10.4095 10.4212 10.4371 10.4495 10.5252 10.5608 10.7626 10.7967 11.1820 11.1940 11.2627 11.2630 11.3566 11.3895 13.6141 13.6332 13.7800 13.7819 17.1265 17.1306 17.5003 17.5046 17.6499 17.6588 k =-0.0351 0.0420 0.0548 ( 2737 PWs) bands (ev): -9.6619 -9.6619 -5.2363 -5.2329 -5.2153 -5.2131 -5.1263 -5.1231 -2.9468 -2.9467 1.9930 2.0018 2.0203 2.0215 2.4793 2.4854 4.8138 4.8153 5.1981 5.1991 5.7228 5.7246 7.1113 7.1117 7.1697 7.1723 7.4178 7.4196 8.0140 8.0140 8.0429 8.0437 9.8466 9.8706 9.9756 9.9848 10.0922 10.1400 10.4114 10.4211 10.4388 10.4494 10.5258 10.5562 10.7688 10.7968 11.1949 11.2042 11.2656 11.2665 11.3611 11.3891 13.5726 13.5890 13.7451 13.7468 17.2015 17.2051 17.4921 17.4959 17.6839 17.6911 k =-0.0281 0.0336 0.0438 ( 2733 PWs) bands (ev): -9.6686 -9.6685 -5.2315 -5.2290 -5.1848 -5.1832 -5.1264 -5.1239 -2.9766 -2.9765 2.0045 2.0126 2.0311 2.0315 2.4601 2.4654 4.8165 4.8177 5.1747 5.1755 5.7102 5.7116 7.1349 7.1352 7.1721 7.1743 7.4257 7.4272 8.0211 8.0213 8.0443 8.0451 9.8501 9.8704 9.9756 9.9842 10.0988 10.1373 10.4129 10.4208 10.4404 10.4489 10.5267 10.5515 10.7740 10.7961 11.2066 11.2131 11.2675 11.2690 11.3658 11.3885 13.5385 13.5519 13.7162 13.7175 17.2738 17.2770 17.4855 17.4885 17.6974 17.7006 k =-0.0211 0.0252 0.0329 ( 2733 PWs) bands (ev): -9.6737 -9.6737 -5.2280 -5.2261 -5.1605 -5.1592 -5.1261 -5.1244 -3.0004 -3.0004 2.0142 2.0208 2.0402 2.0403 2.4444 2.4488 4.8187 4.8196 5.1562 5.1568 5.7004 5.7014 7.1533 7.1535 7.1741 7.1757 7.4320 7.4331 8.0261 8.0263 8.0461 8.0468 9.8535 9.8694 9.9761 9.9834 10.1052 10.1342 10.4143 10.4203 10.4419 10.4484 10.5281 10.5471 10.7784 10.7948 11.2165 11.2206 11.2686 11.2705 11.3705 11.3877 13.5120 13.5222 13.6934 13.6943 17.3414 17.3439 17.4811 17.4833 17.6947 17.6978 k =-0.0141 0.0168 0.0219 ( 2739 PWs) bands (ev): -9.6775 -9.6775 -5.2254 -5.2241 -5.1435 -5.1423 -5.1252 -5.1243 -3.0178 -3.0177 2.0218 2.0265 2.0470 2.0471 2.4329 2.4360 4.8203 4.8209 5.1428 5.1432 5.6934 5.6940 7.1664 7.1666 7.1756 7.1767 7.4365 7.4373 8.0292 8.0294 8.0479 8.0484 9.8568 9.8678 9.9770 9.9822 10.1111 10.1306 10.4156 10.4195 10.4432 10.4476 10.5301 10.5428 10.7823 10.7931 11.2241 11.2262 11.2691 11.2710 11.3749 11.3865 13.4934 13.5003 13.6770 13.6776 17.3995 17.4012 17.4807 17.4817 17.6832 17.6859 k =-0.0070 0.0084 0.0110 ( 2733 PWs) bands (ev): -9.6797 -9.6797 -5.2237 -5.2230 -5.1345 -5.1336 -5.1230 -5.1229 -3.0284 -3.0283 2.0271 2.0295 2.0513 2.0514 2.4261 2.4277 4.8213 4.8216 5.1348 5.1350 5.6893 5.6896 7.1744 7.1745 7.1766 7.1772 7.4393 7.4397 8.0309 8.0310 8.0493 8.0496 9.8600 9.8656 9.9782 9.9809 10.1168 10.1265 10.4168 10.4188 10.4445 10.4467 10.5326 10.5390 10.7857 10.7911 11.2290 11.2299 11.2696 11.2708 11.3789 11.3847 13.4828 13.4863 13.6671 13.6674 17.4374 17.4378 17.4879 17.4883 17.6673 17.6692 k = 0.0000 0.0000 0.0000 ( 2743 PWs) bands (ev): -9.6804 -9.6804 -5.2229 -5.2229 -5.1319 -5.1319 -5.1214 -5.1214 -3.0319 -3.0319 2.0297 2.0297 2.0528 2.0528 2.4243 2.4243 4.8218 4.8218 5.1322 5.1322 5.6880 5.6880 7.1768 7.1768 7.1774 7.1774 7.4404 7.4404 8.0314 8.0314 8.0499 8.0499 9.8629 9.8629 9.9795 9.9795 10.1219 10.1219 10.4178 10.4178 10.4456 10.4456 10.5355 10.5355 10.7885 10.7885 11.2308 11.2308 11.2702 11.2702 11.3821 11.3821 13.4805 13.4805 13.6639 13.6639 17.4476 17.4476 17.4963 17.4963 17.6595 17.6595 k = 0.0000 0.0000 0.0000 ( 2743 PWs) bands (ev): -9.6804 -9.6804 -5.2229 -5.2229 -5.1319 -5.1319 -5.1214 -5.1214 -3.0319 -3.0319 2.0297 2.0297 2.0528 2.0528 2.4243 2.4243 4.8218 4.8218 5.1322 5.1322 5.6880 5.6880 7.1768 7.1768 7.1774 7.1774 7.4404 7.4404 8.0314 8.0314 8.0499 8.0499 9.8629 9.8629 9.9795 9.9795 10.1219 10.1219 10.4178 10.4178 10.4456 10.4456 10.5355 10.5355 10.7885 10.7885 11.2308 11.2308 11.2702 11.2702 11.3821 11.3821 13.4805 13.4805 13.6639 13.6639 17.4476 17.4476 17.4963 17.4963 17.6595 17.6595 k = 0.0119 0.0100 0.0000 ( 2739 PWs) bands (ev): -9.6796 -9.6796 -5.2283 -5.2283 -5.1322 -5.1322 -5.1216 -5.1216 -3.0260 -3.0260 2.0309 2.0309 2.0539 2.0539 2.4223 2.4223 4.8223 4.8223 5.1344 5.1344 5.6871 5.6871 7.1750 7.1750 7.1756 7.1756 7.4373 7.4373 8.0325 8.0325 8.0509 8.0509 9.8619 9.8619 9.9795 9.9795 10.1215 10.1215 10.4162 10.4162 10.4468 10.4468 10.5341 10.5341 10.7920 10.7920 11.2304 11.2304 11.2699 11.2699 11.3817 11.3817 13.4831 13.4831 13.6671 13.6671 17.4373 17.4373 17.4845 17.4845 17.6537 17.6537 k = 0.0238 0.0199 0.0000 ( 2727 PWs) bands (ev): -9.6769 -9.6769 -5.2443 -5.2443 -5.1328 -5.1328 -5.1222 -5.1222 -3.0086 -3.0086 2.0344 2.0344 2.0574 2.0574 2.4164 2.4164 4.8238 4.8238 5.1410 5.1410 5.6845 5.6845 7.1696 7.1696 7.1703 7.1703 7.4281 7.4281 8.0356 8.0356 8.0540 8.0540 9.8589 9.8589 9.9797 9.9797 10.1205 10.1205 10.4121 10.4121 10.4498 10.4498 10.5304 10.5304 10.8019 10.8019 11.2290 11.2290 11.2691 11.2691 11.3805 11.3805 13.4909 13.4909 13.6765 13.6765 17.4085 17.4085 17.4521 17.4521 17.6368 17.6368 k = 0.0357 0.0299 0.0000 ( 2723 PWs) bands (ev): -9.6726 -9.6726 -5.2705 -5.2705 -5.1338 -5.1338 -5.1232 -5.1232 -2.9801 -2.9801 2.0402 2.0402 2.0632 2.0632 2.4065 2.4065 4.8263 4.8263 5.1519 5.1519 5.6802 5.6802 7.1607 7.1607 7.1614 7.1614 7.4129 7.4129 8.0406 8.0406 8.0590 8.0590 9.8540 9.8540 9.9797 9.9797 10.1188 10.1188 10.4065 10.4065 10.4535 10.4535 10.5252 10.5252 10.8172 10.8172 11.2265 11.2265 11.2676 11.2676 11.3784 11.3784 13.5039 13.5039 13.6920 13.6920 17.3656 17.3656 17.4048 17.4048 17.6096 17.6096 k = 0.0476 0.0398 0.0000 ( 2735 PWs) bands (ev): -9.6665 -9.6665 -5.3062 -5.3062 -5.1352 -5.1352 -5.1246 -5.1246 -2.9414 -2.9414 2.0484 2.0484 2.0713 2.0713 2.3927 2.3927 4.8298 4.8298 5.1669 5.1669 5.6744 5.6744 7.1483 7.1483 7.1491 7.1491 7.3917 7.3917 8.0475 8.0475 8.0657 8.0657 9.8474 9.8474 9.9795 9.9795 10.1163 10.1163 10.3995 10.3995 10.4571 10.4571 10.5195 10.5195 10.8366 10.8366 11.2230 11.2230 11.2657 11.2657 11.3756 11.3756 13.5220 13.5220 13.7135 13.7135 17.3130 17.3130 17.3481 17.3481 17.5737 17.5737 k = 0.0595 0.0498 0.0000 ( 2731 PWs) bands (ev): -9.6586 -9.6586 -5.3502 -5.3502 -5.1369 -5.1369 -5.1264 -5.1264 -2.8933 -2.8933 2.0588 2.0588 2.0816 2.0816 2.3754 2.3754 4.8343 4.8343 5.1858 5.1858 5.6670 5.6670 7.1329 7.1329 7.1337 7.1337 7.3649 7.3649 8.0561 8.0561 8.0742 8.0742 9.8394 9.8394 9.9793 9.9793 10.1134 10.1134 10.3918 10.3918 10.4602 10.4602 10.5145 10.5145 10.8590 10.8590 11.2187 11.2187 11.2634 11.2634 11.3721 11.3721 13.5453 13.5453 13.7406 13.7406 17.2541 17.2541 17.2857 17.2857 17.5308 17.5308 k = 0.0714 0.0597 0.0000 ( 2723 PWs) bands (ev): -9.6490 -9.6490 -5.4018 -5.4018 -5.1390 -5.1390 -5.1286 -5.1286 -2.8370 -2.8370 2.0715 2.0715 2.0942 2.0942 2.3546 2.3546 4.8396 4.8396 5.2084 5.2084 5.6583 5.6583 7.1143 7.1143 7.1153 7.1153 7.3327 7.3327 8.0662 8.0662 8.0842 8.0842 9.8301 9.8301 9.9790 9.9790 10.1102 10.1102 10.3833 10.3833 10.4624 10.4624 10.5110 10.5110 10.8833 10.8833 11.2138 11.2138 11.2608 11.2608 11.3681 11.3681 13.5737 13.5737 13.7731 13.7731 17.1914 17.1914 17.2198 17.2198 17.4825 17.4825 k = 0.0833 0.0697 0.0000 ( 2723 PWs) bands (ev): -9.6376 -9.6376 -5.4598 -5.4598 -5.1414 -5.1414 -5.1311 -5.1311 -2.7733 -2.7733 2.0864 2.0864 2.1090 2.1090 2.3306 2.3306 4.8456 4.8456 5.2343 5.2343 5.6484 5.6484 7.0930 7.0930 7.0941 7.0941 7.2952 7.2952 8.0776 8.0776 8.0954 8.0954 9.8199 9.8199 9.9784 9.9784 10.1065 10.1065 10.3742 10.3742 10.4635 10.4635 10.5095 10.5095 10.9084 10.9084 11.2082 11.2082 11.2581 11.2581 11.3634 11.3634 13.6070 13.6070 13.8105 13.8105 17.1262 17.1262 17.1520 17.1520 17.4306 17.4306 k = 0.0952 0.0796 0.0000 ( 2723 PWs) bands (ev): -9.6246 -9.6246 -5.5232 -5.5232 -5.1441 -5.1441 -5.1339 -5.1339 -2.7033 -2.7033 2.1035 2.1035 2.1259 2.1259 2.3035 2.3035 4.8523 4.8523 5.2632 5.2632 5.6376 5.6376 7.0690 7.0690 7.0702 7.0702 7.2529 7.2529 8.0900 8.0900 8.1077 8.1077 9.8091 9.8091 9.9776 9.9776 10.1025 10.1025 10.3645 10.3645 10.4637 10.4637 10.5099 10.5099 10.9337 10.9337 11.2021 11.2021 11.2554 11.2554 11.3583 11.3583 13.6452 13.6452 13.8524 13.8524 17.0594 17.0594 17.0832 17.0832 17.3765 17.3765 k = 0.1071 0.0896 0.0000 ( 2723 PWs) bands (ev): -9.6097 -9.6097 -5.5913 -5.5913 -5.1472 -5.1472 -5.1371 -5.1371 -2.6279 -2.6279 2.1226 2.1226 2.1450 2.1450 2.2738 2.2738 4.8596 4.8596 5.2949 5.2949 5.6261 5.6261 7.0426 7.0426 7.0439 7.0439 7.2061 7.2061 8.1034 8.1034 8.1209 8.1209 9.7979 9.7979 9.9764 9.9764 10.0982 10.0982 10.3543 10.3543 10.4633 10.4633 10.5119 10.5119 10.9584 10.9584 11.1957 11.1957 11.2530 11.2530 11.3529 11.3529 13.6883 13.6883 13.8984 13.8984 16.9919 16.9919 17.0138 17.0138 17.3216 17.3216 k = 0.1190 0.0995 0.0000 ( 2731 PWs) bands (ev): -9.5932 -9.5932 -5.6632 -5.6632 -5.1505 -5.1505 -5.1406 -5.1406 -2.5479 -2.5479 2.1435 2.1435 2.1660 2.1660 2.2416 2.2416 4.8672 4.8672 5.3287 5.3287 5.6142 5.6142 7.0139 7.0139 7.0153 7.0153 7.1551 7.1551 8.1175 8.1175 8.1348 8.1348 9.7867 9.7867 9.9749 9.9749 10.0936 10.0936 10.3435 10.3435 10.4627 10.4627 10.5150 10.5150 10.9819 10.9819 11.1890 11.1890 11.2511 11.2511 11.3472 11.3472 13.7359 13.7359 13.9478 13.9478 16.9239 16.9239 16.9443 16.9443 17.2672 17.2672 k = 0.1310 0.1095 0.0000 ( 2727 PWs) bands (ev): -9.5749 -9.5749 -5.7383 -5.7383 -5.1541 -5.1541 -5.1443 -5.1443 -2.4639 -2.4639 2.1655 2.1655 2.1889 2.1889 2.2082 2.2082 4.8751 4.8751 5.3645 5.3645 5.6022 5.6022 6.9831 6.9831 6.9846 6.9846 7.1004 7.1004 8.1321 8.1321 8.1493 8.1493 9.7757 9.7757 9.9731 9.9731 10.0889 10.0889 10.3324 10.3324 10.4624 10.4624 10.5187 10.5187 11.0037 11.0037 11.1824 11.1824 11.2500 11.2500 11.3414 11.3414 13.7879 13.7879 14.0003 14.0003 16.8559 16.8559 16.8750 16.8750 17.2142 17.2142 k = 0.1429 0.1195 0.0000 ( 2727 PWs) bands (ev): -9.5550 -9.5550 -5.8160 -5.8160 -5.1579 -5.1579 -5.1484 -5.1484 -2.3766 -2.3766 2.1652 2.1652 2.1965 2.1965 2.2141 2.2141 4.8830 4.8830 5.4018 5.4018 5.5904 5.5904 6.9505 6.9505 6.9521 6.9521 7.0423 7.0423 8.1471 8.1471 8.1642 8.1642 9.7651 9.7651 9.9709 9.9709 10.0839 10.0839 10.3209 10.3209 10.4624 10.4624 10.5229 10.5229 11.0233 11.0234 11.1759 11.1759 11.2500 11.2500 11.3355 11.3355 13.8442 13.8442 14.0552 14.0552 16.7880 16.7880 16.8059 16.8059 17.1637 17.1637 k = 0.1548 0.1294 0.0000 ( 2727 PWs) bands (ev): -9.5333 -9.5333 -5.8958 -5.8958 -5.1620 -5.1620 -5.1526 -5.1526 -2.2866 -2.2866 2.1286 2.1286 2.2212 2.2212 2.2408 2.2408 4.8908 4.8908 5.4401 5.4401 5.5792 5.5792 6.9161 6.9161 6.9178 6.9178 6.9812 6.9812 8.1623 8.1623 8.1793 8.1793 9.7551 9.7551 9.9683 9.9683 10.0787 10.0787 10.3090 10.3090 10.4628 10.4628 10.5272 10.5272 11.0404 11.0404 11.1697 11.1697 11.2512 11.2512 11.3297 11.3297 13.9043 13.9043 14.1119 14.1119 16.7204 16.7204 16.7374 16.7374 17.1165 17.1165 k = 0.1667 0.1394 0.0000 ( 2731 PWs) bands (ev): -9.5099 -9.5099 -5.9772 -5.9772 -5.1662 -5.1662 -5.1571 -5.1571 -2.1941 -2.1941 2.0884 2.0884 2.2496 2.2496 2.2693 2.2693 4.8981 4.8981 5.4791 5.4791 5.5689 5.5689 6.8801 6.8801 6.8819 6.8819 6.9176 6.9176 8.1777 8.1777 8.1945 8.1945 9.7460 9.7460 9.9653 9.9653 10.0732 10.0732 10.2966 10.2966 10.4638 10.4638 10.5316 10.5316 11.0547 11.0547 11.1639 11.1639 11.2539 11.2539 11.3240 11.3240 13.9681 13.9681 14.1699 14.1699 16.6533 16.6533 16.6694 16.6694 17.0732 17.0732 k = 0.1786 0.1493 0.0000 ( 2731 PWs) bands (ev): -9.4848 -9.4848 -6.0599 -6.0599 -5.1707 -5.1707 -5.1618 -5.1618 -2.0997 -2.0997 2.0462 2.0462 2.2799 2.2799 2.2994 2.2994 4.9048 4.9048 5.5182 5.5182 5.5601 5.5601 6.8424 6.8424 6.8446 6.8446 6.8521 6.8521 8.1930 8.1930 8.2097 8.2097 9.7377 9.7377 9.9620 9.9620 10.0674 10.0674 10.2839 10.2839 10.4652 10.4652 10.5361 10.5361 11.0661 11.0661 11.1587 11.1587 11.2581 11.2581 11.3186 11.3186 14.0351 14.0351 14.2286 14.2286 16.5868 16.5868 16.6022 16.6022 17.0347 17.0347 k = 0.1905 0.1593 0.0000 ( 2743 PWs) bands (ev): -9.4580 -9.4580 -6.1436 -6.1436 -5.1753 -5.1753 -5.1666 -5.1666 -2.0037 -2.0037 2.0025 2.0025 2.3118 2.3118 2.3310 2.3310 4.9107 4.9107 5.5524 5.5524 5.5579 5.5579 6.7841 6.7841 6.8042 6.8042 6.8060 6.8060 8.2082 8.2082 8.2248 8.2248 9.7305 9.7305 9.9582 9.9582 10.0613 10.0613 10.2708 10.2708 10.4670 10.4670 10.5404 10.5404 11.0748 11.0748 11.1541 11.1541 11.2635 11.2635 11.3135 11.3135 14.1051 14.1051 14.2875 14.2875 16.5210 16.5210 16.5356 16.5356 17.0014 17.0014 k = 0.2024 0.1692 0.0000 ( 2751 PWs) bands (ev): -9.4295 -9.4295 -6.2280 -6.2280 -5.1800 -5.1800 -5.1715 -5.1715 -1.9064 -1.9064 1.9574 1.9574 2.3451 2.3451 2.3640 2.3640 4.9155 4.9155 5.5480 5.5480 5.5957 5.5957 6.7155 6.7155 6.7642 6.7642 6.7662 6.7662 8.2233 8.2233 8.2397 8.2397 9.7244 9.7244 9.9541 9.9541 10.0549 10.0549 10.2573 10.2573 10.4693 10.4693 10.5446 10.5446 11.0813 11.0813 11.1503 11.1503 11.2698 11.2698 11.3090 11.3090 14.1776 14.1776 14.3460 14.3460 16.4560 16.4560 16.4700 16.4700 16.9739 16.9739 k = 0.2143 0.1792 0.0000 ( 2759 PWs) bands (ev): -9.3994 -9.3994 -6.3129 -6.3129 -5.1848 -5.1848 -5.1766 -5.1766 -1.8081 -1.8081 1.9110 1.9110 2.3798 2.3798 2.3983 2.3983 4.9190 4.9190 5.5455 5.5455 5.6328 5.6328 6.6462 6.6462 6.7233 6.7233 6.7253 6.7253 8.2381 8.2381 8.2544 8.2544 9.7194 9.7194 9.9495 9.9495 10.0482 10.0482 10.2436 10.2436 10.4720 10.4720 10.5487 10.5487 11.0861 11.0861 11.1472 11.1472 11.2761 11.2761 11.3054 11.3054 14.2522 14.2522 14.4036 14.4036 16.3919 16.3919 16.4053 16.4053 16.9526 16.9526 k = 0.2262 0.1891 0.0000 ( 2747 PWs) bands (ev): -9.3676 -9.3676 -6.3981 -6.3981 -5.1896 -5.1896 -5.1817 -5.1817 -1.7089 -1.7089 1.8635 1.8635 2.4157 2.4157 2.4338 2.4338 4.9213 4.9213 5.5458 5.5458 5.6681 5.6681 6.5769 6.5769 6.6816 6.6816 6.6837 6.6837 8.2526 8.2526 8.2687 8.2687 9.7157 9.7157 9.9449 9.9449 10.0414 10.0414 10.2296 10.2296 10.4751 10.4751 10.5528 10.5528 11.0897 11.0897 11.1450 11.1450 11.2815 11.2815 11.3036 11.3036 14.3284 14.3284 14.4600 14.4600 16.3289 16.3289 16.3416 16.3416 16.9380 16.9380 k = 0.2381 0.1991 0.0000 ( 2748 PWs) bands (ev): -9.3341 -9.3341 -6.4834 -6.4834 -5.1945 -5.1945 -5.1869 -5.1869 -1.6092 -1.6092 1.8149 1.8149 2.4527 2.4527 2.4702 2.4702 4.9221 4.9221 5.5489 5.5489 5.7010 5.7010 6.5080 6.5080 6.6391 6.6391 6.6413 6.6413 8.2667 8.2667 8.2826 8.2826 9.7131 9.7131 9.9398 9.9398 10.0343 10.0343 10.2152 10.2152 10.4784 10.4784 10.5565 10.5565 11.0926 11.0926 11.1437 11.1437 11.2842 11.2842 11.3048 11.3048 14.4058 14.4058 14.5146 14.5146 16.2670 16.2670 16.2791 16.2791 16.9301 16.9301 k = 0.2500 0.2090 0.0000 ( 2748 PWs) bands (ev): -9.2990 -9.2990 -6.5687 -6.5687 -5.1994 -5.1994 -5.1920 -5.1920 -1.5091 -1.5091 1.7652 1.7652 2.4904 2.4904 2.5075 2.5075 4.9216 4.9216 5.5551 5.5551 5.7307 5.7307 6.4406 6.4406 6.5960 6.5960 6.5983 6.5983 8.2804 8.2804 8.2960 8.2960 9.7116 9.7116 9.9345 9.9345 10.0269 10.0269 10.2006 10.2006 10.4820 10.4820 10.5600 10.5600 11.0952 11.0952 11.1431 11.1431 11.2839 11.2839 11.3090 11.3090 14.4838 14.4838 14.5674 14.5674 16.2063 16.2063 16.2178 16.2178 16.9292 16.9292 k = 0.2619 0.2190 0.0000 ( 2748 PWs) bands (ev): -9.2622 -9.2622 -6.6538 -6.6538 -5.2042 -5.2042 -5.1972 -5.1972 -1.4087 -1.4087 1.7145 1.7145 2.5289 2.5289 2.5455 2.5455 4.9199 4.9199 5.5643 5.5643 5.7560 5.7560 6.3757 6.3757 6.5525 6.5525 6.5549 6.5549 8.2936 8.2936 8.3090 8.3090 9.7113 9.7113 9.9289 9.9289 10.0192 10.0192 10.1859 10.1859 10.4859 10.4859 10.5634 10.5634 11.0979 11.0979 11.1434 11.1434 11.2822 11.2822 11.3145 11.3145 14.5619 14.5619 14.6180 14.6180 16.1470 16.1470 16.1579 16.1579 16.9352 16.9352 k = 0.2738 0.2290 0.0000 ( 2748 PWs) bands (ev): -9.2239 -9.2239 -6.7387 -6.7387 -5.2091 -5.2091 -5.2023 -5.2023 -1.3083 -1.3083 1.6628 1.6628 2.5680 2.5680 2.5840 2.5840 4.9172 4.9172 5.5763 5.5763 5.7756 5.7756 6.3149 6.3149 6.5088 6.5088 6.5113 6.5113 8.3063 8.3063 8.3214 8.3214 9.7121 9.7121 9.9232 9.9232 10.0114 10.0114 10.1710 10.1710 10.4901 10.4901 10.5666 10.5666 11.1008 11.1008 11.1444 11.1444 11.2802 11.2802 11.3200 11.3200 14.6394 14.6394 14.6665 14.6665 16.0892 16.0892 16.0996 16.0996 16.9479 16.9479 k = 0.2857 0.2389 0.0000 ( 2756 PWs) bands (ev): -9.1839 -9.1839 -6.8232 -6.8232 -5.2138 -5.2138 -5.2074 -5.2074 -1.2081 -1.2081 1.6100 1.6100 2.6073 2.6073 2.6227 2.6227 4.9139 4.9139 5.5911 5.5911 5.7875 5.7875 6.2598 6.2598 6.4650 6.4650 6.4675 6.4675 8.3184 8.3184 8.3332 8.3332 9.7140 9.7140 9.9173 9.9173 10.0034 10.0034 10.1559 10.1559 10.4943 10.4943 10.5695 10.5695 11.1041 11.1041 11.1461 11.1461 11.2783 11.2783 11.3251 11.3251 14.7101 14.7101 14.7186 14.7186 16.0331 16.0331 16.0428 16.0428 16.9672 16.9672 k = 0.2976 0.2489 0.0000 ( 2748 PWs) bands (ev): -9.1423 -9.1423 -6.9072 -6.9072 -5.2185 -5.2185 -5.2124 -5.2124 -1.1080 -1.1080 1.5563 1.5563 2.6468 2.6468 2.6616 2.6616 4.9101 4.9101 5.6084 5.6084 5.7894 5.7894 6.2132 6.2132 6.4214 6.4214 6.4239 6.4239 8.3300 8.3300 8.3444 8.3444 9.7169 9.7169 9.9116 9.9116 9.9954 9.9954 10.1409 10.1409 10.4988 10.4988 10.5723 10.5723 11.1080 11.1080 11.1486 11.1486 11.2766 11.2766 11.3295 11.3295 14.7555 14.7555 14.7923 14.7923 15.9787 15.9787 15.9878 15.9878 16.9926 16.9926 k = 0.3095 0.2588 0.0000 ( 2740 PWs) bands (ev): -9.0991 -9.0991 -6.9906 -6.9906 -5.2230 -5.2230 -5.2172 -5.2172 -1.0084 -1.0084 1.5016 1.5016 2.6863 2.6863 2.7004 2.7004 4.9064 4.9064 5.6279 5.6279 5.7791 5.7791 6.1772 6.1772 6.3782 6.3782 6.3807 6.3807 8.3410 8.3410 8.3550 8.3550 9.7208 9.7208 9.9057 9.9057 9.9874 9.9874 10.1259 10.1259 10.5036 10.5036 10.5748 10.5748 11.1123 11.1123 11.1519 11.1519 11.2754 11.2754 11.3331 11.3331 14.7976 14.7976 14.8653 14.8653 15.9262 15.9262 15.9348 15.9348 17.0237 17.0237 k = 0.3214 0.2688 0.0000 ( 2732 PWs) bands (ev): -9.0544 -9.0544 -7.0734 -7.0734 -5.2273 -5.2273 -5.2219 -5.2219 -0.9093 -0.9093 1.4457 1.4457 2.7254 2.7254 2.7389 2.7389 4.9029 4.9029 5.6494 5.6494 5.7558 5.7558 6.1527 6.1527 6.3355 6.3355 6.3380 6.3380 8.3514 8.3514 8.3649 8.3649 9.7255 9.7255 9.9001 9.9001 9.9795 9.9795 10.1109 10.1109 10.5083 10.5083 10.5770 10.5770 11.1171 11.1171 11.1557 11.1557 11.2745 11.2745 11.3359 11.3359 14.8378 14.8378 14.9356 14.9356 15.8759 15.8759 15.8838 15.8838 17.0596 17.0596 k = 0.3333 0.2787 0.0000 ( 2736 PWs) bands (ev): -9.0081 -9.0081 -7.1556 -7.1556 -5.2315 -5.2315 -5.2264 -5.2264 -0.8108 -0.8108 1.3888 1.3888 2.7640 2.7640 2.7768 2.7768 4.9001 4.9001 5.6725 5.6725 5.7208 5.7208 6.1384 6.1384 6.2937 6.2937 6.2961 6.2961 8.3611 8.3611 8.3741 8.3741 9.7308 9.7308 9.8944 9.8944 9.9716 9.9716 10.0960 10.0960 10.5130 10.5130 10.5789 10.5789 11.1224 11.1224 11.1601 11.1601 11.2740 11.2740 11.3379 11.3379 14.8764 14.8764 15.0026 15.0026 15.8277 15.8277 15.8350 15.8350 17.0999 17.0999 k = 0.3452 0.2887 0.0000 ( 2728 PWs) bands (ev): -8.9603 -8.9603 -7.2369 -7.2369 -5.2355 -5.2355 -5.2308 -5.2308 -0.7131 -0.7131 1.3307 1.3307 2.8018 2.8018 2.8138 2.8138 4.8983 4.8983 5.6766 5.6766 5.6976 5.6976 6.1315 6.1315 6.2530 6.2530 6.2553 6.2553 8.3703 8.3703 8.3827 8.3827 9.7370 9.7370 9.8890 9.8890 9.9639 9.9639 10.0812 10.0812 10.5177 10.5177 10.5806 10.5806 11.1281 11.1281 11.1650 11.1650 11.2738 11.2738 11.3392 11.3392 14.9139 14.9139 15.0656 15.0656 15.7820 15.7820 15.7887 15.7887 17.1436 17.1436 k = 0.3571 0.2986 0.0000 ( 2728 PWs) bands (ev): -8.9109 -8.9109 -7.3175 -7.3175 -5.2393 -5.2393 -5.2349 -5.2349 -0.6163 -0.6163 1.2714 1.2714 2.8385 2.8385 2.8498 2.8498 4.8978 4.8978 5.6274 5.6274 5.7231 5.7231 6.1290 6.1290 6.2136 6.2136 6.2159 6.2159 8.3789 8.3789 8.3906 8.3906 9.7438 9.7438 9.8837 9.8837 9.9564 9.9564 10.0665 10.0665 10.5225 10.5225 10.5819 10.5819 11.1341 11.1341 11.1702 11.1702 11.2741 11.2741 11.3397 11.3397 14.9505 14.9505 15.1239 15.1239 15.7388 15.7388 15.7449 15.7449 17.1901 17.1901 k = 0.3690 0.3086 0.0000 ( 2736 PWs) bands (ev): -8.8600 -8.8600 -7.3972 -7.3972 -5.2428 -5.2428 -5.2388 -5.2388 -0.5205 -0.5205 1.2108 1.2108 2.8738 2.8738 2.8844 2.8844 4.8989 4.8989 5.5750 5.5750 5.7497 5.7497 6.1283 6.1283 6.1758 6.1758 6.1780 6.1780 8.3867 8.3867 8.3978 8.3978 9.7512 9.7512 9.8786 9.8786 9.9492 9.9492 10.0520 10.0520 10.5273 10.5273 10.5829 10.5829 11.1403 11.1403 11.1756 11.1756 11.2747 11.2747 11.3394 11.3394 14.9863 14.9863 15.1770 15.1770 15.6983 15.6983 15.7039 15.7039 17.2385 17.2385 k = 0.3810 0.3185 0.0000 ( 2736 PWs) bands (ev): -8.8076 -8.8076 -7.4760 -7.4760 -5.2461 -5.2461 -5.2424 -5.2424 -0.4257 -0.4257 1.1489 1.1489 2.9075 2.9075 2.9173 2.9173 4.9018 4.9018 5.5212 5.5212 5.7769 5.7769 6.1273 6.1273 6.1406 6.1406 6.1422 6.1422 8.3940 8.3940 8.4043 8.4043 9.7591 9.7591 9.8740 9.8740 9.9425 9.9425 10.0379 10.0379 10.5320 10.5320 10.5836 10.5836 11.1467 11.1467 11.1811 11.1811 11.2756 11.2756 11.3385 11.3385 15.0217 15.0217 15.2243 15.2243 15.6608 15.6608 15.6658 15.6658 17.2880 17.2880 k = 0.3929 0.3285 0.0000 ( 2732 PWs) bands (ev): -8.7537 -8.7537 -7.5538 -7.5538 -5.2491 -5.2491 -5.2457 -5.2457 -0.3321 -0.3321 1.0856 1.0856 2.9393 2.9393 2.9482 2.9482 4.9068 4.9068 5.4675 5.4675 5.8045 5.8045 6.1054 6.1054 6.1080 6.1080 6.1283 6.1283 8.4007 8.4007 8.4101 8.4101 9.7675 9.7675 9.8696 9.8696 9.9364 9.9364 10.0240 10.0240 10.5367 10.5367 10.5840 10.5840 11.1532 11.1532 11.1864 11.1864 11.2769 11.2769 11.3369 11.3369 15.0566 15.0566 15.2653 15.2653 15.6263 15.6263 15.6307 15.6307 17.3380 17.3380 k = 0.4048 0.3385 0.0000 ( 2732 PWs) bands (ev): -8.6984 -8.6984 -7.6306 -7.6306 -5.2518 -5.2518 -5.2488 -5.2488 -0.2398 -0.2398 1.0208 1.0208 2.9688 2.9688 2.9768 2.9768 4.9141 4.9141 5.4146 5.4146 5.8322 5.8322 6.0746 6.0746 6.0767 6.0767 6.1256 6.1256 8.4067 8.4067 8.4152 8.4152 9.7760 9.7760 9.8656 9.8656 9.9309 9.9309 10.0105 10.0105 10.5413 10.5413 10.5840 10.5840 11.1596 11.1596 11.1913 11.1913 11.2786 11.2786 11.3348 11.3348 15.0912 15.0912 15.2995 15.2995 15.5950 15.5950 15.5988 15.5988 17.3877 17.3877 k = 0.4167 0.3484 0.0000 ( 2740 PWs) bands (ev): -8.6416 -8.6416 -7.7064 -7.7064 -5.2542 -5.2542 -5.2516 -5.2516 -0.1488 -0.1488 0.9545 0.9545 2.9958 2.9958 3.0029 3.0029 4.9238 4.9238 5.3632 5.3632 5.8597 5.8597 6.0463 6.0463 6.0481 6.0481 6.1213 6.1213 8.4120 8.4120 8.4196 8.4196 9.7847 9.7847 9.8618 9.8618 9.9260 9.9260 9.9974 9.9974 10.5458 10.5458 10.5837 10.5837 11.1660 11.1660 11.1958 11.1958 11.2806 11.2806 11.3322 11.3322 15.1254 15.1254 15.3266 15.3266 15.5670 15.5670 15.5703 15.5703 17.4365 17.4365 k = 0.4286 0.3584 0.0000 ( 2736 PWs) bands (ev): -8.5834 -8.5834 -7.7812 -7.7812 -5.2562 -5.2562 -5.2540 -5.2540 -0.0593 -0.0593 0.8867 0.8867 3.0200 3.0200 3.0261 3.0261 4.9362 4.9362 5.3137 5.3137 5.8869 5.8869 6.0210 6.0210 6.0227 6.0227 6.1150 6.1150 8.4167 8.4167 8.4234 8.4234 9.7934 9.7934 9.8583 9.8583 9.9221 9.9221 9.9848 9.9848 10.5502 10.5502 10.5831 10.5831 11.1722 11.1722 11.1995 11.1995 11.2831 11.2831 11.3292 11.3292 15.1590 15.1590 15.3465 15.3465 15.5426 15.5426 15.5453 15.5453 17.4841 17.4841 k = 0.4405 0.3683 0.0000 ( 2736 PWs) bands (ev): -8.5238 -8.5238 -7.8548 -7.8548 -5.2580 -5.2580 -5.2561 -5.2561 0.0287 0.0287 0.8172 0.8172 3.0411 3.0411 3.0462 3.0462 4.9513 4.9513 5.2665 5.2665 5.9134 5.9134 5.9992 5.9992 6.0007 6.0007 6.1065 6.1065 8.4208 8.4208 8.4264 8.4264 9.8020 9.8020 9.8551 9.8551 9.9193 9.9193 9.9728 9.9728 10.5544 10.5544 10.5821 10.5821 11.1782 11.1782 11.2023 11.2023 11.2860 11.2860 11.3258 11.3258 15.1918 15.1918 15.3593 15.3593 15.5217 15.5217 15.5239 15.5239 17.5301 17.5301 k = 0.4524 0.3783 0.0000 ( 2728 PWs) bands (ev): -8.4627 -8.4627 -7.9273 -7.9273 -5.2594 -5.2594 -5.2579 -5.2579 0.1152 0.1152 0.7461 0.7461 3.0588 3.0588 3.0630 3.0630 4.9693 4.9693 5.2218 5.2218 5.9390 5.9390 5.9810 5.9810 5.9824 5.9824 6.0958 6.0958 8.4243 8.4243 8.4288 8.4288 9.8103 9.8103 9.8519 9.8519 9.9177 9.9177 9.9615 9.9615 10.5584 10.5584 10.5808 10.5808 11.1839 11.1839 11.2042 11.2042 11.2893 11.2893 11.3221 11.3221 15.2234 15.2234 15.3651 15.3651 15.5045 15.5045 15.5062 15.5062 17.5744 17.5744 k = 0.4643 0.3882 0.0000 ( 2720 PWs) bands (ev): -8.4004 -8.4004 -7.9986 -7.9986 -5.2604 -5.2604 -5.2593 -5.2593 0.2000 0.2000 0.6733 0.6733 3.0730 3.0730 3.0761 3.0761 4.9902 4.9902 5.1798 5.1798 5.9603 5.9603 5.9667 5.9667 5.9713 5.9713 6.0829 6.0829 8.4272 8.4272 8.4306 8.4306 9.8182 9.8182 9.8487 9.8487 9.9175 9.9175 9.9511 9.9511 10.5622 10.5622 10.5791 10.5791 11.1891 11.1891 11.2050 11.2050 11.2930 11.2930 11.3182 11.3182 15.2534 15.2534 15.3643 15.3643 15.4911 15.4911 15.4923 15.4923 17.6170 17.6170 k = 0.4762 0.3982 0.0000 ( 2724 PWs) bands (ev): -8.3366 -8.3366 -8.0687 -8.0687 -5.2612 -5.2612 -5.2604 -5.2604 0.2832 0.2832 0.5987 0.5987 3.0834 3.0834 3.0855 3.0855 5.0141 5.0141 5.1406 5.1406 5.9554 5.9554 5.9563 5.9563 5.9892 5.9892 6.0678 6.0678 8.4293 8.4293 8.4316 8.4316 9.8252 9.8252 9.8452 9.8452 9.9189 9.9189 9.9417 9.9417 10.5657 10.5657 10.5771 10.5771 11.1937 11.1937 11.2047 11.2047 11.2969 11.2969 11.3140 11.3140 15.2812 15.2812 15.3574 15.3574 15.4814 15.4814 15.4823 15.4823 17.6581 17.6581 k = 0.4881 0.4081 0.0000 ( 2724 PWs) bands (ev): -8.2716 -8.2716 -8.1376 -8.1376 -5.2615 -5.2615 -5.2611 -5.2611 0.3647 0.3647 0.5224 0.5224 3.0899 3.0899 3.0910 3.0910 5.0412 5.0412 5.1044 5.1044 5.9495 5.9495 5.9498 5.9498 6.0111 6.0111 6.0507 6.0507 8.4309 8.4309 8.4320 8.4320 9.8314 9.8314 9.8413 9.8413 9.9220 9.9220 9.9336 9.9336 10.5690 10.5690 10.5747 10.5747 11.1977 11.1977 11.2033 11.2033 11.3011 11.3011 11.3098 11.3098 15.3062 15.3062 15.3450 15.3450 15.4757 15.4757 15.4761 15.4761 17.6982 17.6982 k = 0.5000 0.4181 0.0000 ( 2724 PWs) bands (ev): -8.2052 -8.2052 -8.2052 -8.2052 -5.2615 -5.2615 -5.2615 -5.2615 0.4444 0.4444 0.4444 0.4444 3.0924 3.0924 3.0924 3.0924 5.0713 5.0713 5.0713 5.0713 5.9475 5.9475 5.9475 5.9475 6.0318 6.0318 6.0318 6.0318 8.4318 8.4318 8.4318 8.4318 9.8368 9.8368 9.8368 9.8368 9.9270 9.9270 9.9270 9.9270 10.5720 10.5720 10.5720 10.5720 11.2010 11.2010 11.2010 11.2010 11.3054 11.3054 11.3054 11.3054 15.3277 15.3277 15.3277 15.3277 15.4739 15.4739 15.4739 15.4739 17.7378 17.7378 k = 0.5000 0.4181 0.0000 ( 2724 PWs) bands (ev): -8.2052 -8.2052 -8.2052 -8.2052 -5.2615 -5.2615 -5.2615 -5.2615 0.4444 0.4444 0.4444 0.4444 3.0924 3.0924 3.0924 3.0924 5.0713 5.0713 5.0713 5.0713 5.9475 5.9475 5.9475 5.9475 6.0318 6.0318 6.0318 6.0318 8.4318 8.4318 8.4318 8.4318 9.8368 9.8368 9.8368 9.8368 9.9270 9.9270 9.9270 9.9270 10.5720 10.5720 10.5720 10.5720 11.2010 11.2010 11.2010 11.2010 11.3054 11.3054 11.3054 11.3054 15.3277 15.3277 15.3277 15.3277 15.4739 15.4739 15.4739 15.4739 17.7378 17.7378 k = 0.4929 0.4265 0.0110 ( 2724 PWs) bands (ev): -8.2057 -8.2057 -8.2043 -8.2042 -5.2625 -5.2624 -5.2615 -5.2612 0.4428 0.4433 0.4462 0.4465 3.0909 3.0916 3.0918 3.0924 5.0662 5.0663 5.0730 5.0731 5.9336 5.9340 5.9534 5.9539 6.0323 6.0324 6.0453 6.0459 8.4292 8.4299 8.4307 8.4322 9.8326 9.8342 9.8399 9.8415 9.9175 9.9242 9.9298 9.9369 10.5665 10.5714 10.5724 10.5783 11.1869 11.1983 11.2027 11.2126 11.2957 11.3033 11.3081 11.3182 15.3146 15.3247 15.3303 15.3310 15.4713 15.4714 15.4781 15.4892 17.7368 17.7374 k = 0.4859 0.4350 0.0220 ( 2724 PWs) bands (ev): -8.2072 -8.2071 -8.2015 -8.2014 -5.2653 -5.2652 -5.2613 -5.2607 0.4385 0.4395 0.4518 0.4525 3.0872 3.0885 3.0902 3.0914 5.0517 5.0519 5.0784 5.0786 5.9047 5.9056 5.9705 5.9715 6.0350 6.0352 6.0733 6.0744 8.4230 8.4259 8.4266 8.4312 9.8288 9.8321 9.8432 9.8466 9.9086 9.9217 9.9327 9.9473 10.5620 10.5706 10.5725 10.5853 11.1719 11.1947 11.2035 11.2190 11.2919 11.3018 11.3116 11.3327 15.2916 15.3073 15.3389 15.3403 15.4640 15.4645 15.4998 15.5174 17.7344 17.7356 k = 0.4788 0.4435 0.0331 ( 2724 PWs) bands (ev): -8.2096 -8.2095 -8.1969 -8.1967 -5.2699 -5.2698 -5.2608 -5.2599 0.4315 0.4329 0.4612 0.4623 3.0813 3.0832 3.0879 3.0897 5.0288 5.0292 5.0874 5.0877 5.8714 5.8726 5.9977 5.9993 6.0395 6.0398 6.1055 6.1073 8.4133 8.4176 8.4218 8.4287 9.8255 9.8305 9.8466 9.8522 9.9003 9.9199 9.9356 9.9580 10.5582 10.5697 10.5724 10.5931 11.1565 11.1899 11.2033 11.2177 11.2961 11.3008 11.3160 11.3482 15.2639 15.2814 15.3533 15.3553 15.4529 15.4539 15.5323 15.5531 17.7305 17.7323 k = 0.4717 0.4519 0.0441 ( 2736 PWs) bands (ev): -8.2130 -8.2129 -8.1904 -8.1901 -5.2763 -5.2762 -5.2601 -5.2589 0.4217 0.4237 0.4744 0.4758 3.0732 3.0758 3.0848 3.0872 4.9992 4.9997 5.0998 5.1002 5.8364 5.8380 6.0333 6.0355 6.0461 6.0463 6.1391 6.1417 8.4001 8.4057 8.4156 8.4247 9.8227 9.8294 9.8494 9.8581 9.8928 9.9192 9.9383 9.9689 10.5553 10.5684 10.5719 10.6015 11.1411 11.1840 11.2022 11.2098 11.3004 11.3064 11.3221 11.3644 15.2332 15.2508 15.3733 15.3759 15.4394 15.4413 15.5713 15.5937 17.7250 17.7275 k = 0.4647 0.4604 0.0551 ( 2736 PWs) bands (ev): -8.2174 -8.2172 -8.1820 -8.1817 -5.2843 -5.2842 -5.2592 -5.2577 0.4093 0.4117 0.4911 0.4928 3.0630 3.0662 3.0811 3.0840 4.9645 4.9652 5.1156 5.1160 5.8007 5.8026 6.0538 6.0544 6.0761 6.0788 6.1734 6.1770 8.3837 8.3905 8.4081 8.4192 9.8204 9.8287 9.8512 9.8646 9.8861 9.9201 9.9411 9.9802 10.5533 10.5670 10.5713 10.6104 11.1257 11.1768 11.1981 11.1999 11.3007 11.3178 11.3323 11.3812 15.1997 15.2164 15.3975 15.4004 15.4266 15.4298 15.6148 15.6380 17.7179 17.7211 k = 0.4576 0.4688 0.0661 ( 2736 PWs) bands (ev): -8.2228 -8.2226 -8.1718 -8.1714 -5.2939 -5.2937 -5.2580 -5.2562 0.3942 0.3970 0.5112 0.5133 3.0507 3.0545 3.0770 3.0804 4.9264 4.9273 5.1345 5.1351 5.7648 5.7670 6.0638 6.0644 6.1232 6.1269 6.2082 6.2131 8.3640 8.3721 8.3992 8.4122 9.8185 9.8281 9.8517 9.8714 9.8803 9.9231 9.9439 9.9917 10.5520 10.5655 10.5705 10.6198 11.1103 11.1684 11.1845 11.1965 11.3020 11.3266 11.3481 11.3983 15.1632 15.1784 15.4057 15.4094 15.4361 15.4405 15.6619 15.6855 17.7089 17.7128 k = 0.4505 0.4773 0.0771 ( 2732 PWs) bands (ev): -8.2293 -8.2291 -8.1597 -8.1592 -5.3049 -5.3047 -5.2566 -5.2545 0.3764 0.3796 0.5345 0.5369 3.0364 3.0408 3.0725 3.0765 4.8861 4.8872 5.1565 5.1572 5.7288 5.7314 6.0755 6.0761 6.1730 6.1781 6.2440 6.2505 8.3415 8.3506 8.3890 8.4037 9.8172 9.8275 9.8505 9.8754 9.8789 9.9284 9.9469 10.0033 10.5513 10.5638 10.5694 10.6295 11.0952 11.1588 11.1699 11.1917 11.3041 11.3344 11.3668 11.4158 15.1231 15.1365 15.3961 15.4015 15.4712 15.4759 15.7120 15.7359 17.6980 17.7027 k = 0.4434 0.4857 0.0882 ( 2726 PWs) bands (ev): -8.2368 -8.2366 -8.1457 -8.1452 -5.3171 -5.3168 -5.2550 -5.2526 0.3559 0.3596 0.5607 0.5635 3.0202 3.0251 3.0678 3.0723 4.8448 4.8461 5.1813 5.1821 5.6929 5.6957 6.0889 6.0895 6.2228 6.2295 6.2824 6.2908 8.3162 8.3262 8.3774 8.3938 9.8163 9.8269 9.8481 9.8717 9.8866 9.9357 9.9502 10.0151 10.5512 10.5620 10.5683 10.6395 11.0800 11.1481 11.1544 11.1857 11.3069 11.3421 11.3869 11.4335 15.0794 15.0910 15.3885 15.3955 15.5131 15.5182 15.7649 15.7889 17.6851 17.6905 k = 0.4364 0.4942 0.0992 ( 2728 PWs) bands (ev): -8.2455 -8.2452 -8.1299 -8.1294 -5.3304 -5.3301 -5.2531 -5.2504 0.3328 0.3368 0.5897 0.5929 3.0023 3.0077 3.0631 3.0680 4.8033 4.8048 5.2087 5.2096 5.6573 5.6603 6.1039 6.1045 6.2693 6.2766 6.3270 6.3362 8.2884 8.2992 8.3644 8.3823 9.8156 9.8260 9.8446 9.8690 9.8946 9.9449 9.9539 10.0269 10.5512 10.5597 10.5670 10.6495 11.0649 11.1365 11.1383 11.1784 11.3105 11.3501 11.4074 11.4511 15.0323 15.0422 15.3851 15.3933 15.5603 15.5658 15.8204 15.8443 17.6700 17.6762 k = 0.4293 0.5026 0.1102 ( 2732 PWs) bands (ev): -8.2552 -8.2549 -8.1123 -8.1117 -5.3445 -5.3442 -5.2511 -5.2481 0.3070 0.3114 0.6212 0.6247 2.9825 2.9884 3.0585 3.0639 4.7624 4.7642 5.2385 5.2395 5.6218 5.6251 6.1205 6.1210 6.3104 6.3164 6.3799 6.3882 8.2582 8.2698 8.3502 8.3692 9.8152 9.8248 9.8407 9.8671 9.9030 9.9554 9.9580 10.0388 10.5510 10.5572 10.5660 10.6595 11.0497 11.1215 11.1242 11.1700 11.3147 11.3583 11.4280 11.4685 14.9825 14.9910 15.3862 15.3954 15.6122 15.6180 15.8781 15.9020 17.6529 17.6598 k = 0.4222 0.5111 0.1212 ( 2736 PWs) bands (ev): -8.2662 -8.2658 -8.0929 -8.0922 -5.3594 -5.3589 -5.2488 -5.2455 0.2787 0.2834 0.6547 0.6586 2.9612 2.9675 3.0542 3.0599 4.7227 4.7248 5.2705 5.2717 5.5868 5.5904 6.1387 6.1391 6.3468 6.3510 6.4386 6.4455 8.2260 8.2382 8.3346 8.3547 9.8146 9.8233 9.8370 9.8661 9.9116 9.9628 9.9670 10.0507 10.5501 10.5546 10.5656 10.6694 11.0344 11.1040 11.1115 11.1607 11.3192 11.3665 11.4484 11.4856 14.9308 14.9379 15.3921 15.4021 15.6685 15.6746 15.9380 15.9616 17.6336 17.6414 k = 0.4152 0.5195 0.1322 ( 2734 PWs) bands (ev): -8.2783 -8.2779 -8.0716 -8.0709 -5.3747 -5.3742 -5.2464 -5.2428 0.2478 0.2528 0.6901 0.6943 2.9383 2.9451 3.0503 3.0563 4.6848 4.6872 5.3045 5.3058 5.5523 5.5560 6.1584 6.1587 6.3800 6.3826 6.5002 6.5060 8.1920 8.2047 8.3177 8.3387 9.8135 9.8218 9.8341 9.8658 9.9206 9.9681 9.9794 10.0627 10.5483 10.5517 10.5661 10.6790 11.0193 11.0859 11.0984 11.1506 11.3240 11.3747 11.4683 11.5022 14.8779 14.8840 15.4028 15.4133 15.7288 15.7352 15.9997 16.0231 17.6124 17.6210 k = 0.4081 0.5280 0.1433 ( 2734 PWs) bands (ev): -8.2916 -8.2912 -8.0485 -8.0478 -5.3903 -5.3898 -5.2437 -5.2399 0.2144 0.2197 0.7270 0.7316 2.9141 2.9212 3.0468 3.0532 4.6492 4.6519 5.3402 5.3417 5.5183 5.5222 6.1795 6.1796 6.4109 6.4124 6.5631 6.5682 8.1565 8.1695 8.2995 8.3211 9.8111 9.8202 9.8330 9.8660 9.9298 9.9741 9.9924 10.0747 10.5454 10.5485 10.5672 10.6881 11.0040 11.0671 11.0854 11.1399 11.3288 11.3827 11.4874 11.5180 14.8247 14.8300 15.4180 15.4290 15.7929 15.7994 16.0631 16.0862 17.5896 17.5989 k = 0.4010 0.5365 0.1543 ( 2737 PWs) bands (ev): -8.3062 -8.3058 -8.0237 -8.0228 -5.4061 -5.4054 -5.2409 -5.2368 0.1786 0.1840 0.7650 0.7700 2.8885 2.8960 3.0440 3.0507 4.6161 4.6191 5.3775 5.3792 5.4849 5.4891 6.2020 6.2021 6.4401 6.4407 6.6266 6.6313 8.1195 8.1329 8.2798 8.3019 9.8075 9.8185 9.8335 9.8668 9.9393 9.9805 10.0059 10.0867 10.5417 10.5450 10.5687 10.6968 10.9888 11.0475 11.0724 11.1288 11.3335 11.3902 11.5056 11.5330 14.7721 14.7766 15.4378 15.4490 15.8604 15.8669 16.1278 16.1506 17.5655 17.5756 k = 0.3940 0.5449 0.1653 ( 2743 PWs) bands (ev): -8.3221 -8.3216 -7.9970 -7.9961 -5.4217 -5.4209 -5.2379 -5.2335 0.1403 0.1460 0.8039 0.8092 2.8617 2.8696 3.0418 3.0487 4.5860 4.5894 5.4160 5.4182 5.4523 5.4569 6.2256 6.2259 6.4676 6.4677 6.6902 6.6946 8.0814 8.0950 8.2588 8.2812 9.8032 9.8168 9.8356 9.8680 9.9488 9.9874 10.0196 10.0986 10.5372 10.5412 10.5702 10.7047 10.9735 11.0274 11.0595 11.1173 11.3379 11.3972 11.5227 11.5468 14.7206 14.7245 15.4618 15.4732 15.9307 15.9372 16.1936 16.2159 17.5407 17.5514 k = 0.3869 0.5534 0.1763 ( 2747 PWs) bands (ev): -8.3392 -8.3388 -7.9686 -7.9676 -5.4371 -5.4362 -5.2348 -5.2302 0.0997 0.1056 0.8432 0.8488 2.8339 2.8421 3.0404 3.0475 4.5592 4.5629 5.4204 5.4243 5.4568 5.4584 6.2504 6.2510 6.4932 6.4938 6.7536 6.7579 8.0424 8.0561 8.2365 8.2589 9.7986 9.8152 9.8387 9.8699 9.9585 9.9946 10.0334 10.1106 10.5322 10.5372 10.5716 10.7118 10.9581 11.0067 11.0471 11.1060 11.3418 11.4036 11.5383 11.5593 14.6709 14.6743 15.4901 15.5014 16.0035 16.0098 16.2601 16.2820 17.5158 17.5271 k = 0.3798 0.5618 0.1874 ( 2747 PWs) bands (ev): -8.3576 -8.3572 -7.9384 -7.9374 -5.4520 -5.4510 -5.2315 -5.2266 0.0569 0.0629 0.8827 0.8886 2.8051 2.8136 3.0397 3.0470 4.5359 4.5400 5.3895 5.3939 5.4974 5.4996 6.2765 6.2774 6.5173 6.5185 6.8165 6.8209 8.0028 8.0165 8.2127 8.2351 9.7940 9.8137 9.8427 9.8723 9.9683 10.0021 10.0473 10.1225 10.5267 10.5330 10.5725 10.7181 10.9428 10.9856 11.0351 11.0947 11.3452 11.4091 11.5524 11.5704 14.6236 14.6265 15.5222 15.5335 16.0783 16.0842 16.3270 16.3483 17.4915 17.5034 k = 0.3727 0.5703 0.1984 ( 2747 PWs) bands (ev): -8.3774 -8.3769 -7.9065 -7.9054 -5.4663 -5.4652 -5.2282 -5.2230 0.0120 0.0180 0.9219 0.9282 2.7755 2.7842 3.0398 3.0472 4.5165 4.5209 5.3597 5.3642 5.5392 5.5417 6.3036 6.3049 6.5399 6.5415 6.8788 6.8832 7.9627 7.9764 8.1875 8.2097 9.7896 9.8121 9.8474 9.8755 9.9781 10.0096 10.0609 10.1343 10.5208 10.5286 10.5730 10.7233 10.9275 10.9643 11.0236 11.0837 11.3479 11.4138 11.5649 11.5799 14.5792 14.5817 15.5581 15.5693 16.1545 16.1600 16.3938 16.4145 17.4687 17.4811 k = 0.3657 0.5787 0.2094 ( 2751 PWs) bands (ev): -8.3984 -8.3980 -7.8729 -7.8717 -5.4798 -5.4786 -5.2247 -5.2193 -0.0351 -0.0290 0.9607 0.9673 2.7451 2.7541 3.0407 3.0481 4.5010 4.5058 5.3310 5.3357 5.5817 5.5845 6.3319 6.3334 6.5609 6.5630 6.9402 6.9446 7.9223 7.9359 8.1609 8.1827 9.7855 9.8106 9.8527 9.8793 9.9878 10.0170 10.0743 10.1461 10.5144 10.5238 10.5727 10.7274 10.9122 10.9428 11.0126 11.0731 11.3498 11.4174 11.5756 11.5876 14.5382 14.5402 15.5975 15.6086 16.2314 16.2363 16.4600 16.4799 17.4480 17.4610 k = 0.3586 0.5872 0.2204 ( 2755 PWs) bands (ev): -8.4208 -8.4203 -7.8375 -7.8363 -5.4924 -5.4912 -5.2211 -5.2154 -0.0841 -0.0780 0.9987 1.0057 2.7140 2.7234 3.0423 3.0497 4.4897 4.4949 5.3035 5.3084 5.6249 5.6280 6.3610 6.3629 6.5802 6.5827 7.0005 7.0052 7.8818 7.8953 8.1327 8.1540 9.7820 9.8092 9.8586 9.8839 9.9974 10.0244 10.0873 10.1578 10.5076 10.5189 10.5717 10.7303 10.8971 10.9212 11.0023 11.0630 11.3510 11.4199 11.5844 11.5935 14.5008 14.5024 15.6402 15.6510 16.3084 16.3125 16.5249 16.5441 17.4307 17.4441 k = 0.3515 0.5956 0.2314 ( 2753 PWs) bands (ev): -8.4444 -8.4440 -7.8005 -7.7992 -5.5041 -5.5027 -5.2174 -5.2115 -0.1351 -0.1289 1.0357 1.0429 2.6825 2.6921 3.0446 3.0520 4.4826 4.4881 5.2775 5.2825 5.6684 5.6719 6.3911 6.3934 6.5977 6.6006 7.0597 7.0645 7.8416 7.8549 8.1031 8.1238 9.7790 9.8081 9.8650 9.8892 10.0068 10.0316 10.0996 10.1694 10.5005 10.5138 10.5697 10.7319 10.8822 10.8998 10.9926 11.0536 11.3514 11.4214 11.5913 11.5976 14.4675 14.4686 15.6857 15.6963 16.3846 16.3878 16.5881 16.6064 17.4175 17.4315 k = 0.3445 0.6041 0.2425 ( 2753 PWs) bands (ev): -8.4692 -8.4688 -7.7618 -7.7605 -5.5146 -5.5131 -5.2136 -5.2075 -0.1878 -0.1816 1.0713 1.0789 2.6506 2.6604 3.0475 3.0549 4.4797 4.4857 5.2531 5.2581 5.7123 5.7161 6.4220 6.4246 6.6133 6.6165 7.1176 7.1227 7.8016 7.8147 8.0720 8.0919 9.7766 9.8071 9.8720 9.8953 10.0156 10.0386 10.1112 10.1809 10.4931 10.5086 10.5668 10.7321 10.8675 10.8787 10.9836 11.0449 11.3510 11.4219 11.5963 11.5998 14.4384 14.4392 15.7338 15.7441 16.4591 16.4610 16.6486 16.6660 17.4097 17.4242 k = 0.3374 0.6125 0.2535 ( 2753 PWs) bands (ev): -8.4953 -8.4949 -7.7214 -7.7201 -5.5239 -5.5223 -5.2098 -5.2035 -0.2422 -0.2361 1.1056 1.1134 2.6183 2.6284 3.0509 3.0582 4.4811 4.4875 5.2304 5.2356 5.7564 5.7605 6.4537 6.4566 6.6268 6.6303 7.1741 7.1794 7.7621 7.7750 8.0394 8.0584 9.7749 9.8063 9.8794 9.9021 10.0237 10.0457 10.1218 10.1924 10.4855 10.5033 10.5628 10.7309 10.8531 10.8580 10.9753 11.0369 11.3500 11.4213 11.5994 11.6001 14.4139 14.4143 15.7841 15.7940 16.5306 16.5312 16.7056 16.7219 17.4083 17.4235 k = 0.3374 0.6125 0.2535 ( 2753 PWs) bands (ev): -8.4953 -8.4949 -7.7214 -7.7201 -5.5239 -5.5223 -5.2098 -5.2035 -0.2422 -0.2361 1.1056 1.1134 2.6183 2.6284 3.0509 3.0582 4.4811 4.4875 5.2304 5.2356 5.7564 5.7605 6.4537 6.4566 6.6268 6.6303 7.1741 7.1794 7.7621 7.7750 8.0394 8.0584 9.7749 9.8063 9.8794 9.9021 10.0237 10.0457 10.1218 10.1924 10.4855 10.5033 10.5628 10.7309 10.8531 10.8580 10.9753 11.0369 11.3500 11.4213 11.5994 11.6001 14.4139 14.4143 15.7841 15.7940 16.5306 16.5312 16.7056 16.7219 17.4083 17.4235 k = 0.3233 0.6082 0.2592 ( 2755 PWs) bands (ev): -8.5111 -8.5107 -7.6977 -7.6963 -5.5279 -5.5261 -5.2078 -5.2014 -0.2744 -0.2683 1.1255 1.1335 2.6012 2.6114 3.0518 3.0591 4.4844 4.4910 5.2205 5.2257 5.7780 5.7824 6.4678 6.4709 6.6348 6.6385 7.2036 7.2090 7.7420 7.7548 8.0219 8.0404 9.7743 9.8061 9.8829 9.9065 10.0268 10.0493 10.1277 10.1984 10.4813 10.5000 10.5603 10.7292 10.8447 10.8490 10.9714 11.0330 11.3495 11.4208 11.5991 11.5999 14.4051 14.4053 15.8093 15.8191 16.5636 16.5645 16.7327 16.7485 17.4087 17.4241 k = 0.3093 0.6038 0.2648 ( 2754 PWs) bands (ev): -8.5303 -8.5299 -7.6698 -7.6684 -5.5305 -5.5287 -5.2059 -5.1994 -0.3133 -0.3072 1.1504 1.1586 2.5834 2.5937 3.0509 3.0580 4.4905 4.4972 5.2133 5.2185 5.7975 5.8021 6.4775 6.4810 6.6458 6.6497 7.2345 7.2400 7.7224 7.7350 8.0039 8.0219 9.7742 9.8062 9.8860 9.9120 10.0285 10.0529 10.1348 10.2047 10.4764 10.4958 10.5575 10.7261 10.8350 10.8428 10.9679 11.0291 11.3494 11.4204 11.5971 11.5993 14.4013 14.4018 15.8326 15.8419 16.5907 16.5929 16.7578 16.7733 17.4071 17.4223 k = 0.2952 0.5995 0.2705 ( 2756 PWs) bands (ev): -8.5519 -8.5515 -7.6387 -7.6373 -5.5319 -5.5299 -5.2041 -5.1975 -0.3578 -0.3519 1.1794 1.1877 2.5651 2.5756 3.0480 3.0551 4.4991 4.5060 5.2086 5.2138 5.8146 5.8194 6.4840 6.4878 6.6589 6.6629 7.2661 7.2719 7.7035 7.7157 7.9855 8.0029 9.7746 9.8067 9.8887 9.9184 10.0294 10.0564 10.1425 10.2111 10.4709 10.4905 10.5546 10.7215 10.8259 10.8374 10.9647 11.0251 11.3497 11.4202 11.5942 11.5977 14.4025 14.4034 15.8539 15.8626 16.6119 16.6154 16.7815 16.7967 17.4028 17.4177 k = 0.2812 0.5951 0.2762 ( 2756 PWs) bands (ev): -8.5750 -8.5747 -7.6057 -7.6042 -5.5320 -5.5298 -5.2025 -5.1957 -0.4069 -0.4010 1.2116 1.2201 2.5466 2.5574 3.0433 3.0504 4.5098 4.5168 5.2065 5.2116 5.8291 5.8340 6.4886 6.4927 6.6729 6.6770 7.2979 7.3039 7.6854 7.6973 7.9670 7.9839 9.7754 9.8077 9.8912 9.9253 10.0300 10.0599 10.1505 10.2174 10.4648 10.4842 10.5513 10.7150 10.8181 10.8329 10.9619 11.0212 11.3506 11.4201 11.5905 11.5952 14.4086 14.4098 15.8735 15.8815 16.6276 16.6322 16.8035 16.8183 17.3955 17.4097 k = 0.2671 0.5908 0.2819 ( 2760 PWs) bands (ev): -8.5991 -8.5987 -7.5713 -7.5699 -5.5306 -5.5282 -5.2010 -5.1941 -0.4594 -0.4537 1.2462 1.2549 2.5283 2.5393 3.0369 3.0439 4.5224 4.5294 5.2068 5.2119 5.8408 5.8458 6.4928 6.4969 6.6869 6.6908 7.3288 7.3352 7.6684 7.6800 7.9486 7.9650 9.7767 9.8091 9.8937 9.9325 10.0305 10.0632 10.1584 10.2234 10.4584 10.4771 10.5479 10.7068 10.8119 10.8289 10.9595 11.0173 11.3520 11.4202 11.5863 11.5919 14.4193 14.4209 15.8913 15.8986 16.6386 16.6441 16.8227 16.8372 17.3855 17.3988 k = 0.2531 0.5864 0.2875 ( 2758 PWs) bands (ev): -8.6234 -8.6231 -7.5365 -7.5350 -5.5279 -5.5252 -5.1998 -5.1927 -0.5145 -0.5089 1.2825 1.2914 2.5104 2.5216 3.0286 3.0356 4.5365 4.5435 5.2094 5.2145 5.8495 5.8547 6.4976 6.5017 6.7000 6.7037 7.3581 7.3649 7.6530 7.6641 7.9309 7.9467 9.7785 9.8111 9.8962 9.9396 10.0315 10.0666 10.1660 10.2290 10.4517 10.4694 10.5442 10.6972 10.8073 10.8257 10.9573 11.0134 11.3539 11.4205 11.5816 11.5880 14.4342 14.4364 15.9077 15.9141 16.6462 16.6527 16.8380 16.8520 17.3736 17.3858 k = 0.2390 0.5821 0.2932 ( 2754 PWs) bands (ev): -8.6477 -8.6474 -7.5016 -7.5002 -5.5236 -5.5208 -5.1989 -5.1917 -0.5712 -0.5658 1.3197 1.3288 2.4932 2.5048 3.0187 3.0256 4.5518 4.5588 5.2144 5.2193 5.8551 5.8603 6.5039 6.5079 6.7116 6.7149 7.3846 7.3919 7.6392 7.6499 7.9143 7.9296 9.7807 9.8137 9.8985 9.9465 10.0330 10.0700 10.1730 10.2340 10.4449 10.4613 10.5403 10.6862 10.8042 10.8230 10.9555 11.0096 11.3563 11.4210 11.5766 11.5836 14.4532 14.4558 15.9227 15.9282 16.6517 16.6590 16.8479 16.8615 17.3613 17.3722 k = 0.2249 0.5777 0.2989 ( 2750 PWs) bands (ev): -8.6715 -8.6712 -7.4673 -7.4659 -5.5180 -5.5148 -5.1984 -5.1910 -0.6288 -0.6236 1.3573 1.3666 2.4772 2.4891 3.0070 3.0139 4.5681 4.5750 5.2214 5.2261 5.8575 5.8627 6.5123 6.5161 6.7214 6.7243 7.4070 7.4150 7.6274 7.6376 7.8997 7.9145 9.7833 9.8170 9.9007 9.9530 10.0354 10.0734 10.1791 10.2383 10.4381 10.4531 10.5361 10.6744 10.8021 10.8209 10.9539 11.0058 11.3593 11.4216 11.5714 11.5788 14.4758 14.4788 15.9364 15.9411 16.6560 16.6642 16.8519 16.8650 17.3497 17.3596 k = 0.2109 0.5734 0.3046 ( 2747 PWs) bands (ev): -8.6946 -8.6943 -7.4339 -7.4325 -5.5109 -5.5075 -5.1982 -5.1907 -0.6865 -0.6815 1.3947 1.4042 2.4626 2.4748 2.9937 3.0006 4.5850 4.5919 5.2304 5.2350 5.8567 5.8618 6.5231 6.5266 6.7292 6.7316 7.4239 7.4327 7.6176 7.6272 7.8881 7.9024 9.7863 9.8212 9.9025 9.9589 10.0387 10.0768 10.1842 10.2416 10.4317 10.4452 10.5316 10.6619 10.8010 10.8192 10.9525 11.0021 11.3627 11.4223 11.5662 11.5736 14.5016 14.5050 15.9490 15.9531 16.6598 16.6689 16.8497 16.8622 17.3401 17.3490 k = 0.1968 0.5690 0.3102 ( 2749 PWs) bands (ev): -8.7169 -8.7166 -7.4018 -7.4004 -5.5024 -5.4988 -5.1985 -5.1909 -0.7437 -0.7389 1.4314 1.4410 2.4499 2.4624 2.9787 2.9856 4.6024 4.6091 5.2413 5.2457 5.8527 5.8577 6.5366 6.5397 6.7352 6.7371 7.4344 7.4440 7.6096 7.6186 7.8804 7.8942 9.7896 9.8260 9.9040 9.9640 10.0429 10.0801 10.1882 10.2439 10.4258 10.4378 10.5269 10.6490 10.8005 10.8180 10.9514 10.9984 11.3666 11.4231 11.5611 11.5682 14.5302 14.5340 15.9607 15.9646 16.6636 16.6738 16.8419 16.8538 17.3328 17.3409 k = 0.1828 0.5646 0.3159 ( 2747 PWs) bands (ev): -8.7380 -8.7377 -7.3711 -7.3698 -5.4927 -5.4887 -5.1994 -5.1916 -0.7997 -0.7952 1.4669 1.4766 2.4393 2.4521 2.9621 2.9690 4.6199 4.6264 5.2538 5.2580 5.8456 5.8505 6.5526 6.5552 6.7395 6.7410 7.4380 7.4483 7.6029 7.6111 7.8776 7.8906 9.7933 9.8317 9.9050 9.9685 10.0479 10.0834 10.1911 10.2449 10.4208 10.4314 10.5219 10.6360 10.8006 10.8171 10.9505 10.9947 11.3709 11.4240 11.5562 11.5627 14.5611 14.5652 15.9718 15.9757 16.6677 16.6788 16.8297 16.8409 17.3279 17.3353 k = 0.1687 0.5603 0.3216 ( 2750 PWs) bands (ev): -8.7579 -8.7577 -7.3422 -7.3410 -5.4818 -5.4775 -5.2008 -5.1929 -0.8540 -0.8497 1.5008 1.5105 2.4313 2.4443 2.9440 2.9509 4.6374 4.6436 5.2680 5.2719 5.8358 5.8405 6.5705 6.5727 6.7425 6.7443 7.4346 7.4455 7.5967 7.6041 7.8799 7.8920 9.7972 9.8381 9.9055 9.9723 10.0536 10.0866 10.1929 10.2445 10.4166 10.4261 10.5166 10.6229 10.8009 10.8166 10.9498 10.9912 11.3755 11.4249 11.5514 11.5572 14.5938 14.5982 15.9824 15.9869 16.6718 16.6839 16.8148 16.8253 17.3248 17.3317 k = 0.1546 0.5559 0.3273 ( 2746 PWs) bands (ev): -8.7765 -8.7763 -7.3153 -7.3141 -5.4698 -5.4652 -5.2028 -5.1948 -0.9061 -0.9020 1.5327 1.5422 2.4261 2.4392 2.9245 2.9314 4.6545 4.6605 5.2835 5.2872 5.8235 5.8279 6.5892 6.5914 6.7453 6.7482 7.4250 7.4363 7.5908 7.5972 7.8870 7.8981 9.8015 9.8452 9.9055 9.9755 10.0597 10.0896 10.1937 10.2428 10.4136 10.4224 10.5112 10.6098 10.8016 10.8163 10.9494 10.9878 11.3803 11.4258 11.5470 11.5519 14.6276 14.6322 15.9931 15.9983 16.6754 16.6885 16.7993 16.8090 17.3228 17.3293 k = 0.1406 0.5516 0.3330 ( 2750 PWs) bands (ev): -8.7937 -8.7935 -7.2904 -7.2892 -5.4569 -5.4520 -5.2054 -5.1974 -0.9554 -0.9517 1.5621 1.5714 2.4239 2.4371 2.9037 2.9105 4.6712 4.6768 5.3002 5.3037 5.8090 5.8132 6.6071 6.6100 6.7495 6.7541 7.4095 7.4211 7.5851 7.5904 7.8979 7.9078 9.8061 9.8530 9.9049 9.9779 10.0659 10.0923 10.1935 10.2397 10.4118 10.4202 10.5057 10.5969 10.8023 10.8161 10.9491 10.9844 11.3853 11.4266 11.5427 11.5468 14.6620 14.6667 16.0041 16.0101 16.6777 16.6914 16.7857 16.7945 17.3211 17.3274 k = 0.1265 0.5472 0.3386 ( 2751 PWs) bands (ev): -8.8095 -8.8093 -7.2677 -7.2666 -5.4432 -5.4381 -5.2088 -5.2008 -1.0015 -0.9981 1.5889 1.5979 2.4250 2.4381 2.8817 2.8886 4.6871 4.6923 5.3180 5.3212 5.7927 5.7966 6.6222 6.6262 6.7576 6.7641 7.3889 7.4005 7.5798 7.5842 7.9113 7.9201 9.8110 9.8612 9.9039 9.9797 10.0721 10.0947 10.1927 10.2355 10.4111 10.4198 10.5001 10.5841 10.8032 10.8160 10.9491 10.9811 11.3904 11.4273 11.5386 11.5421 14.6963 14.7010 16.0158 16.0226 16.6774 16.6910 16.7767 16.7838 17.3170 17.3249 k = 0.1125 0.5429 0.3443 ( 2755 PWs) bands (ev): -8.8237 -8.8235 -7.2472 -7.2463 -5.4291 -5.4238 -5.2128 -5.2048 -1.0440 -1.0409 1.6128 1.6213 2.4293 2.4422 2.8588 2.8656 4.7020 4.7068 5.3365 5.3394 5.7750 5.7786 6.6328 6.6376 6.7721 6.7801 7.3638 7.3752 7.5752 7.5788 7.9260 7.9336 9.8161 9.8697 9.9025 9.9807 10.0780 10.0968 10.1915 10.2303 10.4114 10.4209 10.4944 10.5715 10.8041 10.8159 10.9492 10.9779 11.3954 11.4280 11.5347 11.5380 14.7298 14.7344 16.0284 16.0359 16.6740 16.6866 16.7738 16.7786 17.2568 17.2645 k = 0.0984 0.5385 0.3500 ( 2754 PWs) bands (ev): -8.8363 -8.8361 -7.2291 -7.2283 -5.4147 -5.4092 -5.2175 -5.2097 -1.0825 -1.0797 1.6338 1.6415 2.4369 2.4493 2.8352 2.8420 4.7159 4.7202 5.3556 5.3582 5.7564 5.7597 6.6383 6.6434 6.7939 6.8027 7.3348 7.3460 7.5715 7.5745 7.9409 7.9474 9.8216 9.8778 9.9014 9.9808 10.0834 10.0986 10.1901 10.2245 10.4127 10.4235 10.4888 10.5591 10.8051 10.8158 10.9496 10.9749 11.4003 11.4285 11.5310 11.5345 14.7617 14.7661 16.0420 16.0500 16.6681 16.6797 16.7763 16.7786 17.1740 17.1809 k = 0.0844 0.5342 0.3557 ( 2754 PWs) bands (ev): -8.8473 -8.8472 -7.2134 -7.2126 -5.4003 -5.3947 -5.2228 -5.2152 -1.1166 -1.1142 1.6516 1.6586 2.4473 2.4591 2.8113 2.8180 4.7284 4.7322 5.3749 5.3772 5.7373 5.7403 6.6398 6.6445 6.8220 6.8311 7.3027 7.3135 7.5687 7.5711 7.9551 7.9606 9.8273 9.8838 9.9020 9.9799 10.0883 10.1001 10.1887 10.2186 10.4149 10.4273 10.4833 10.5471 10.8062 10.8157 10.9502 10.9720 11.4049 11.4288 11.5276 11.5315 14.7913 14.7955 16.0565 16.0646 16.6619 16.6728 16.7820 16.7822 17.0942 17.1012 k = 0.0703 0.5298 0.3613 ( 2755 PWs) bands (ev): -8.8567 -8.8565 -7.2000 -7.1994 -5.3862 -5.3807 -5.2286 -5.2213 -1.1460 -1.1439 1.6665 1.6726 2.4601 2.4711 2.7876 2.7941 4.7393 4.7426 5.3940 5.3959 5.7183 5.7209 6.6387 6.6427 6.8547 6.8637 7.2681 7.2785 7.5667 7.5687 7.9681 7.9726 9.8331 9.8852 9.9068 9.9779 10.0926 10.1014 10.1877 10.2126 10.4178 10.4318 10.4783 10.5353 10.8073 10.8154 10.9510 10.9692 11.4092 11.4289 11.5248 11.5289 14.8179 14.8216 16.0715 16.0795 16.6575 16.6682 16.7877 16.7890 17.0191 17.0265 k = 0.0562 0.5254 0.3670 ( 2749 PWs) bands (ev): -8.8643 -8.8642 -7.1891 -7.1886 -5.3729 -5.3676 -5.2345 -5.2278 -1.1704 -1.1687 1.6786 1.6835 2.4745 2.4844 2.7648 2.7710 4.7486 4.7513 5.4122 5.4138 5.7002 5.7023 6.6364 6.6397 6.8903 6.8991 7.2319 7.2418 7.5653 7.5669 7.9793 7.9829 9.8392 9.8830 9.9149 9.9747 10.0962 10.1024 10.1870 10.2071 10.4213 10.4367 10.4741 10.5239 10.8084 10.8151 10.9520 10.9666 11.4131 11.4288 11.5226 11.5266 14.8409 14.8440 16.0864 16.0938 16.6570 16.6676 16.7932 16.7958 16.9501 16.9582 k = 0.0422 0.5211 0.3727 ( 2753 PWs) bands (ev): -8.8703 -8.8703 -7.1806 -7.1802 -5.3608 -5.3560 -5.2403 -5.2345 -1.1896 -1.1883 1.6878 1.6916 2.4894 2.4977 2.7442 2.7497 4.7561 4.7581 5.4287 5.4299 5.6837 5.6853 6.6338 6.6363 6.9273 6.9357 7.1949 7.2042 7.5645 7.5656 7.9884 7.9911 9.8453 9.8791 9.9239 9.9702 10.0990 10.1031 10.1869 10.2019 10.4253 10.4406 10.4717 10.5129 10.8094 10.8146 10.9532 10.9641 11.4166 11.4283 11.5212 11.5246 14.8595 14.8619 16.1002 16.1065 16.6617 16.6720 16.7968 16.8009 16.8891 16.8983 k = 0.0281 0.5167 0.3784 ( 2751 PWs) bands (ev): -8.8746 -8.8746 -7.1745 -7.1742 -5.3506 -5.3469 -5.2451 -5.2407 -1.2034 -1.2025 1.6945 1.6971 2.5032 2.5094 2.7273 2.7316 4.7616 4.7629 5.4424 5.4431 5.6702 5.6714 6.6317 6.6333 6.9641 6.9719 7.1587 7.1671 7.5640 7.5647 7.9952 7.9970 9.8514 9.8744 9.9331 9.9647 10.1011 10.1035 10.1875 10.1975 10.4295 10.4424 10.4724 10.5024 10.8105 10.8140 10.9545 10.9619 11.4197 11.4274 11.5204 11.5229 14.8733 14.8750 16.1119 16.1165 16.6726 16.6821 16.7941 16.7996 16.8420 16.8518 k = 0.0141 0.5124 0.3840 ( 2751 PWs) bands (ev): -8.8772 -8.8772 -7.1708 -7.1706 -5.3433 -5.3412 -5.2481 -5.2456 -1.2116 -1.2112 1.6987 1.7000 2.5138 2.5172 2.7162 2.7187 4.7651 4.7657 5.4516 5.4520 5.6613 5.6619 6.6304 6.6312 6.9969 7.0028 7.1279 7.1340 7.5638 7.5642 7.9995 8.0004 9.8575 9.8691 9.9420 9.9580 10.1025 10.1036 10.1888 10.1938 10.4339 10.4411 10.4768 10.4927 10.8115 10.8132 10.9561 10.9598 11.4222 11.4261 11.5203 11.5216 14.8819 14.8828 16.1200 16.1225 16.6887 16.6960 16.7760 16.7799 16.8248 16.8293 k = 0.0000 0.5080 0.3897 ( 2752 PWs) bands (ev): -8.8780 -8.8780 -7.1695 -7.1695 -5.3400 -5.3400 -5.2483 -5.2483 -1.2142 -1.2142 1.7005 1.7005 2.5189 2.5189 2.7131 2.7131 4.7665 4.7665 5.4550 5.4550 5.6583 5.6583 6.6302 6.6302 7.0150 7.0150 7.1158 7.1158 7.5639 7.5639 8.0012 8.0012 9.8634 9.8634 9.9504 9.9504 10.1033 10.1033 10.1909 10.1909 10.4379 10.4379 10.4839 10.4839 10.8124 10.8124 10.9579 10.9579 11.4244 11.4244 11.5207 11.5207 14.8851 14.8851 16.1237 16.1237 16.7023 16.7023 16.7629 16.7629 16.8242 16.8242 k = 0.0000 0.5080 0.3897 ( 2752 PWs) bands (ev): -8.8780 -8.8780 -7.1695 -7.1695 -5.3400 -5.3400 -5.2483 -5.2483 -1.2142 -1.2142 1.7005 1.7005 2.5189 2.5189 2.7131 2.7131 4.7665 4.7665 5.4550 5.4550 5.6583 5.6583 6.6302 6.6302 7.0150 7.0150 7.1158 7.1158 7.5639 7.5639 8.0012 8.0012 9.8634 9.8634 9.9504 9.9504 10.1033 10.1033 10.1909 10.1909 10.4379 10.4379 10.4839 10.4839 10.8124 10.8124 10.9579 10.9579 11.4244 11.4244 11.5207 11.5207 14.8851 14.8851 16.1237 16.1237 16.7023 16.7023 16.7629 16.7629 16.8242 16.8242 k = 0.0071 0.4995 0.4009 ( 2752 PWs) bands (ev): -8.8772 -8.8772 -7.1702 -7.1701 -5.3402 -5.3401 -5.2493 -5.2491 -1.2126 -1.2125 1.6974 1.6980 2.5192 2.5204 2.7133 2.7134 4.7649 4.7652 5.4532 5.4535 5.6601 5.6603 6.6322 6.6325 7.0161 7.0161 7.1159 7.1159 7.5637 7.5648 8.0005 8.0016 9.8632 9.8641 9.9504 9.9513 10.1021 10.1045 10.1895 10.1930 10.4358 10.4397 10.4830 10.4850 10.8117 10.8137 10.9560 10.9595 11.4225 11.4264 11.5201 11.5204 14.8867 14.8870 16.1185 16.1199 16.7027 16.7029 16.7646 16.7649 16.8260 16.8270 k = 0.0143 0.4909 0.4120 ( 2746 PWs) bands (ev): -8.8748 -8.8748 -7.1721 -7.1721 -5.3407 -5.3404 -5.2520 -5.2517 -1.2078 -1.2075 1.6885 1.6897 2.5214 2.5238 2.7139 2.7141 4.7607 4.7612 5.4481 5.4488 5.6657 5.6660 6.6383 6.6387 7.0194 7.0194 7.1162 7.1164 7.5643 7.5664 7.9994 8.0015 9.8634 9.8652 9.9515 9.9532 10.1008 10.1059 10.1888 10.1956 10.4336 10.4414 10.4822 10.4862 10.8117 10.8156 10.9539 10.9608 11.4208 11.4284 11.5186 11.5193 14.8918 14.8923 16.1049 16.1074 16.7043 16.7046 16.7655 16.7658 16.8365 16.8386 k = 0.0214 0.4824 0.4231 ( 2750 PWs) bands (ev): -8.8708 -8.8708 -7.1753 -7.1753 -5.3414 -5.3410 -5.2564 -5.2560 -1.1996 -1.1992 1.6743 1.6760 2.5251 2.5287 2.7148 2.7152 4.7540 4.7547 5.4400 5.4410 5.6747 5.6752 6.6481 6.6487 7.0248 7.0249 7.1169 7.1171 7.5657 7.5689 7.9979 8.0010 9.8638 9.8667 9.9538 9.9559 10.0994 10.1073 10.1888 10.1986 10.4310 10.4426 10.4815 10.4875 10.8121 10.8181 10.9518 10.9617 11.4193 11.4303 11.5161 11.5173 14.9002 14.9011 16.0844 16.0881 16.7067 16.7073 16.7583 16.7586 16.8614 16.8645 k = 0.0286 0.4739 0.4343 ( 2750 PWs) bands (ev): -8.8652 -8.8652 -7.1799 -7.1798 -5.3424 -5.3420 -5.2625 -5.2619 -1.1882 -1.1876 1.6549 1.6571 2.5302 2.5349 2.7161 2.7165 4.7453 4.7462 5.4292 5.4305 5.6869 5.6875 6.6612 6.6619 7.0325 7.0326 7.1179 7.1182 7.5680 7.5722 7.9960 8.0001 9.8645 9.8688 9.9572 9.9593 10.0979 10.1089 10.1897 10.2019 10.4282 10.4436 10.4810 10.4888 10.8130 10.8212 10.9498 10.9622 11.4180 11.4321 11.5128 11.5146 14.9121 14.9132 16.0592 16.0637 16.7097 16.7108 16.7424 16.7427 16.8998 16.9034 k = 0.0357 0.4653 0.4454 ( 2748 PWs) bands (ev): -8.8580 -8.8580 -7.1857 -7.1857 -5.3438 -5.3432 -5.2700 -5.2693 -1.1737 -1.1730 1.6309 1.6335 2.5363 2.5420 2.7175 2.7181 4.7351 4.7363 5.4162 5.4177 5.7016 5.7024 6.6769 6.6776 7.0423 7.0425 7.1194 7.1199 7.5711 7.5763 7.9938 7.9989 9.8654 9.8714 9.9619 9.9633 10.0964 10.1109 10.1914 10.2055 10.4250 10.4443 10.4807 10.4901 10.8143 10.8249 10.9479 10.9624 11.4171 11.4336 11.5087 11.5114 14.9273 14.9286 16.0312 16.0364 16.7096 16.7127 16.7223 16.7235 16.9477 16.9518 k = 0.0429 0.4568 0.4565 ( 2748 PWs) bands (ev): -8.8493 -8.8492 -7.1930 -7.1929 -5.3454 -5.3446 -5.2790 -5.2781 -1.1561 -1.1553 1.6026 1.6055 2.5431 2.5496 2.7191 2.7198 4.7241 4.7254 5.4014 5.4031 5.7184 5.7194 6.6943 6.6949 7.0543 7.0545 7.1217 7.1225 7.5750 7.5813 7.9912 7.9972 9.8666 9.8746 9.9676 9.9678 10.0949 10.1132 10.1939 10.2091 10.4217 10.4447 10.4806 10.4914 10.8160 10.8292 10.9464 10.9621 11.4163 11.4347 11.5039 11.5078 14.9456 14.9472 16.0019 16.0077 16.6870 16.6895 16.7219 16.7219 17.0026 17.0069 k = 0.0500 0.4482 0.4677 ( 2748 PWs) bands (ev): -8.8389 -8.8389 -7.2016 -7.2015 -5.3473 -5.3464 -5.2892 -5.2882 -1.1356 -1.1346 1.5706 1.5737 2.5500 2.5573 2.7205 2.7215 4.7128 4.7142 5.3853 5.3871 5.7368 5.7379 6.7124 6.7129 7.0683 7.0687 7.1250 7.1261 7.5800 7.5874 7.9882 7.9951 9.8680 9.8782 9.9727 9.9743 10.0934 10.1161 10.1973 10.2128 10.4180 10.4446 10.4806 10.4927 10.8181 10.8340 10.9454 10.9616 11.4158 11.4352 11.4985 11.5040 14.9671 14.9689 15.9725 15.9787 16.6539 16.6563 16.7263 16.7269 17.0624 17.0668 k = 0.0571 0.4397 0.4788 ( 2748 PWs) bands (ev): -8.8270 -8.8269 -7.2117 -7.2116 -5.3495 -5.3485 -5.3004 -5.2993 -1.1123 -1.1112 1.5352 1.5385 2.5568 2.5648 2.7218 2.7229 4.7019 4.7034 5.3683 5.3703 5.7563 5.7575 6.7305 6.7306 7.0844 7.0850 7.1297 7.1312 7.5860 7.5944 7.9849 7.9926 9.8698 9.8823 9.9780 9.9818 10.0920 10.1196 10.2013 10.2164 10.4140 10.4442 10.4807 10.4938 10.8203 10.8393 10.9448 10.9607 11.4155 11.4348 11.4926 11.5004 14.9915 14.9936 15.9439 15.9505 16.6161 16.6187 16.7311 16.7322 17.1257 17.1302 k = 0.0643 0.4311 0.4899 ( 2750 PWs) bands (ev): -8.8135 -8.8135 -7.2233 -7.2231 -5.3520 -5.3508 -5.3125 -5.3113 -1.0862 -1.0850 1.4969 1.5002 2.5631 2.5718 2.7226 2.7239 4.6918 4.6934 5.3510 5.3531 5.7764 5.7777 6.7470 6.7472 7.1024 7.1033 7.1362 7.1382 7.5930 7.6024 7.9812 7.9897 9.8719 9.8868 9.9835 9.9900 10.0908 10.1238 10.2061 10.2199 10.4096 10.4434 10.4809 10.4948 10.8228 10.8450 10.9448 10.9597 11.4152 11.4334 11.4864 11.4973 15.0187 15.0210 15.9166 15.9236 16.5747 16.5776 16.7354 16.7370 17.1611 17.1654 k = 0.0714 0.4226 0.5011 ( 2754 PWs) bands (ev): -8.7985 -8.7985 -7.2364 -7.2362 -5.3548 -5.3535 -5.3252 -5.3239 -1.0576 -1.0563 1.4559 1.4594 2.5688 2.5779 2.7230 2.7245 4.6832 4.6848 5.3336 5.3358 5.7967 5.7981 6.7610 6.7618 7.1223 7.1235 7.1448 7.1474 7.6012 7.6115 7.9771 7.9863 9.8744 9.8918 9.9893 9.9986 10.0897 10.1288 10.2115 10.2233 10.4049 10.4422 10.4812 10.4955 10.8255 10.8510 10.9454 10.9585 11.4149 11.4309 11.4802 11.4948 15.0484 15.0510 15.8912 15.8984 16.5304 16.5336 16.7384 16.7406 17.1348 17.1394 k = 0.0786 0.4141 0.5122 ( 2752 PWs) bands (ev): -8.7820 -8.7820 -7.2510 -7.2509 -5.3581 -5.3566 -5.3382 -5.3369 -1.0266 -1.0252 1.4128 1.4162 2.5735 2.5832 2.7226 2.7243 4.6765 4.6781 5.3166 5.3189 5.8169 5.8184 6.7719 6.7733 7.1437 7.1455 7.1561 7.1593 7.6104 7.6217 7.9727 7.9826 9.8775 9.8973 9.9952 10.0074 10.0890 10.1349 10.2175 10.2265 10.3998 10.4404 10.4816 10.4961 10.8283 10.8574 10.9466 10.9574 11.4145 11.4272 11.4741 11.4931 15.0806 15.0835 15.8678 15.8753 16.4837 16.4873 16.7392 16.7421 17.1090 17.1134 k = 0.0857 0.4055 0.5233 ( 2752 PWs) bands (ev): -8.7640 -8.7640 -7.2673 -7.2671 -5.3623 -5.3604 -5.3509 -5.3498 -0.9933 -0.9918 1.3677 1.3711 2.5773 2.5873 2.7214 2.7234 4.6720 4.6737 5.3001 5.3025 5.8368 5.8383 6.7791 6.7811 7.1654 7.1684 7.1715 7.1746 7.6208 7.6330 7.9680 7.9785 9.8811 9.9031 10.0011 10.0161 10.0885 10.1419 10.2240 10.2295 10.3944 10.4382 10.4820 10.4964 10.8314 10.8640 10.9484 10.9565 11.4138 11.4225 11.4685 11.4923 15.1150 15.1181 15.8467 15.8544 16.4353 16.4393 16.7366 16.7405 17.0849 17.0889 k = 0.0929 0.3970 0.5345 ( 2754 PWs) bands (ev): -8.7445 -8.7445 -7.2852 -7.2849 -5.3697 -5.3672 -5.3607 -5.3599 -0.9578 -0.9563 1.3209 1.3242 2.5799 2.5902 2.7192 2.7215 4.6701 4.6718 5.2845 5.2869 5.8561 5.8577 6.7821 6.7848 7.1841 7.1889 7.1938 7.1963 7.6322 7.6452 7.9630 7.9740 9.8852 9.9093 10.0069 10.0245 10.0882 10.1500 10.2308 10.2324 10.3885 10.4353 10.4824 10.4964 10.8346 10.8708 10.9507 10.9559 11.4125 11.4171 11.4636 11.4922 15.1513 15.1546 15.8278 15.8357 16.3859 16.3903 16.7296 16.7345 17.0640 17.0672 k = 0.1000 0.3884 0.5456 ( 2754 PWs) bands (ev): -8.7236 -8.7235 -7.3047 -7.3044 -5.3815 -5.3791 -5.3663 -5.3652 -0.9204 -0.9188 1.2726 1.2758 2.5813 2.5919 2.7160 2.7185 4.6710 4.6726 5.2698 5.2722 5.8747 5.8763 6.7810 6.7842 7.2030 7.2086 7.2194 7.2224 7.6446 7.6584 7.9577 7.9692 9.8900 9.9158 10.0126 10.0325 10.0883 10.1589 10.2351 10.2378 10.3823 10.4319 10.4828 10.4960 10.8382 10.8777 10.9533 10.9557 11.4107 11.4115 11.4597 11.4926 15.1893 15.1928 15.8110 15.8192 16.3359 16.3408 16.7169 16.7230 17.0472 17.0496 k = 0.1071 0.3799 0.5568 ( 2758 PWs) bands (ev): -8.7013 -8.7012 -7.3258 -7.3256 -5.3943 -5.3919 -5.3709 -5.3696 -0.8811 -0.8794 1.2231 1.2261 2.5815 2.5924 2.7116 2.7145 4.6749 4.6764 5.2562 5.2586 5.8926 5.8942 6.7760 6.7796 7.2235 7.2298 7.2464 7.2501 7.6578 7.6723 7.9521 7.9639 9.8954 9.9228 10.0181 10.0401 10.0887 10.1686 10.2378 10.2450 10.3757 10.4278 10.4832 10.4953 10.8419 10.8846 10.9559 10.9562 11.4058 11.4083 11.4568 11.4933 15.2286 15.2324 15.7964 15.8048 16.2861 16.2916 16.6978 16.7051 17.0356 17.0371 k = 0.1143 0.3713 0.5679 ( 2756 PWs) bands (ev): -8.6775 -8.6774 -7.3487 -7.3484 -5.4069 -5.4046 -5.3754 -5.3739 -0.8401 -0.8384 1.1725 1.1754 2.5807 2.5918 2.7062 2.7093 4.6818 4.6833 5.2438 5.2461 5.9097 5.9112 6.7671 6.7711 7.2454 7.2522 7.2743 7.2788 7.6719 7.6870 7.9462 7.9584 9.9015 9.9302 10.0234 10.0473 10.0894 10.1787 10.2405 10.2521 10.3689 10.4232 10.4835 10.4941 10.8460 10.8914 10.9568 10.9593 11.4005 11.4056 11.4550 11.4942 15.2691 15.2731 15.7838 15.7923 16.2371 16.2431 16.6724 16.6806 17.0292 17.0299 k = 0.1214 0.3628 0.5790 ( 2744 PWs) bands (ev): -8.6524 -8.6523 -7.3732 -7.3729 -5.4191 -5.4167 -5.3801 -5.3785 -0.7975 -0.7958 1.1209 1.1237 2.5788 2.5900 2.6996 2.7030 4.6917 4.6931 5.2325 5.2348 5.9261 5.9276 6.7550 6.7592 7.2683 7.2755 7.3029 7.3081 7.6866 7.7022 7.9402 7.9525 9.9083 9.9381 10.0285 10.0541 10.0905 10.1889 10.2433 10.2590 10.3620 10.4180 10.4837 10.4925 10.8503 10.8983 10.9585 10.9625 11.3959 11.4028 11.4539 11.4953 15.3103 15.3145 15.7728 15.7815 16.1894 16.1960 16.6412 16.6501 17.0276 17.0278 k = 0.1286 0.3543 0.5902 ( 2740 PWs) bands (ev): -8.6259 -8.6258 -7.3993 -7.3990 -5.4306 -5.4281 -5.3849 -5.3832 -0.7535 -0.7517 1.0686 1.0711 2.5759 2.5873 2.6919 2.6956 4.7046 4.7059 5.2224 5.2246 5.9418 5.9432 6.7397 6.7441 7.2916 7.2992 7.3316 7.3377 7.7017 7.7178 7.9339 7.9463 9.9158 9.9463 10.0335 10.0607 10.0918 10.1987 10.2462 10.2654 10.3549 10.4123 10.4836 10.4904 10.8549 10.9049 10.9610 10.9656 11.3922 11.4003 11.4533 11.4963 15.3519 15.3563 15.7632 15.7721 16.1438 16.1510 16.6050 16.6145 17.0301 17.0301 k = 0.1357 0.3457 0.6013 ( 2740 PWs) bands (ev): -8.5982 -8.5981 -7.4270 -7.4268 -5.4412 -5.4387 -5.3900 -5.3882 -0.7081 -0.7063 1.0155 1.0179 2.5723 2.5837 2.6832 2.6872 4.7202 4.7214 5.2133 5.2154 5.9570 5.9583 6.7217 6.7262 7.3151 7.3230 7.3604 7.3674 7.7169 7.7334 7.9274 7.9399 9.9239 9.9549 10.0382 10.0670 10.0935 10.2076 10.2492 10.2712 10.3479 10.4060 10.4830 10.4877 10.8597 10.9113 10.9643 10.9688 11.3894 11.3982 11.4530 11.4973 15.3936 15.3981 15.7549 15.7638 16.1007 16.1086 16.5649 16.5746 17.0359 17.0359 k = 0.1429 0.3372 0.6124 ( 2738 PWs) bands (ev): -8.5692 -8.5691 -7.4563 -7.4560 -5.4510 -5.4484 -5.3952 -5.3933 -0.6615 -0.6597 0.9618 0.9641 2.5679 2.5794 2.6736 2.6780 4.7383 4.7394 5.2052 5.2072 5.9718 5.9729 6.7012 6.7058 7.3384 7.3466 7.3889 7.3968 7.7323 7.7490 7.9209 7.9333 9.9327 9.9639 10.0428 10.0734 10.0954 10.2153 10.2522 10.2762 10.3412 10.3994 10.4818 10.4843 10.8647 10.9175 10.9685 10.9720 11.3877 11.3967 11.4528 11.4981 15.4349 15.4395 15.7474 15.7563 16.0609 16.0693 16.5217 16.5315 17.0447 17.0447 k = 0.1500 0.3286 0.6236 ( 2736 PWs) bands (ev): -8.5390 -8.5388 -7.4871 -7.4868 -5.4597 -5.4571 -5.4007 -5.3987 -0.6137 -0.6120 0.9077 0.9097 2.5631 2.5746 2.6633 2.6679 4.7588 4.7598 5.1979 5.1999 5.9863 5.9873 6.6786 6.6832 7.3614 7.3697 7.4168 7.4257 7.7473 7.7642 7.9144 7.9265 9.9422 9.9733 10.0472 10.0799 10.0977 10.2218 10.2548 10.2803 10.3352 10.3924 10.4798 10.4803 10.8697 10.9236 10.9735 10.9752 11.3871 11.3961 11.4528 11.4988 15.4755 15.4802 15.7406 15.7494 16.0247 16.0336 16.4760 16.4858 17.0559 17.0562 k = 0.1571 0.3201 0.6347 ( 2736 PWs) bands (ev): -8.5076 -8.5074 -7.5193 -7.5190 -5.4675 -5.4648 -5.4063 -5.4042 -0.5650 -0.5633 0.8531 0.8549 2.5579 2.5694 2.6524 2.6573 4.7812 4.7821 5.1914 5.1932 6.0007 6.0015 6.6541 6.6586 7.3838 7.3924 7.4439 7.4537 7.7620 7.7789 7.9078 7.9196 9.9522 9.9829 10.0515 10.0865 10.1004 10.2271 10.2563 10.2834 10.3303 10.3854 10.4754 10.4769 10.8748 10.9298 10.9787 10.9792 11.3876 11.3962 11.4526 11.4992 15.5150 15.5197 15.7343 15.7429 15.9927 16.0019 16.4285 16.4382 17.0696 17.0702 k = 0.1643 0.3116 0.6458 ( 2732 PWs) bands (ev): -8.4751 -8.4749 -7.5528 -7.5525 -5.4741 -5.4714 -5.4120 -5.4099 -0.5153 -0.5136 0.7982 0.7998 2.5526 2.5641 2.6411 2.6463 4.8052 4.8060 5.1855 5.1872 6.0153 6.0159 6.6278 6.6323 7.4057 7.4144 7.4697 7.4805 7.7761 7.7928 7.9015 7.9128 9.9627 9.9928 10.0558 10.0934 10.1035 10.2314 10.2563 10.2855 10.3266 10.3784 10.4696 10.4729 10.8799 10.9362 10.9823 10.9854 11.3890 11.3971 11.4523 11.4996 15.5529 15.5576 15.7285 15.7367 15.9650 15.9743 16.3797 16.3892 17.0857 17.0867 k = 0.1714 0.3030 0.6570 ( 2736 PWs) bands (ev): -8.4415 -8.4413 -7.5876 -7.5873 -5.4797 -5.4769 -5.4178 -5.4156 -0.4647 -0.4631 0.7429 0.7444 2.5473 2.5587 2.6295 2.6350 4.8305 4.8312 5.1799 5.1815 6.0301 6.0306 6.6001 6.6044 7.4268 7.4357 7.4940 7.5057 7.7894 7.8057 7.8954 7.9060 9.9738 10.0028 10.0599 10.1005 10.1071 10.2347 10.2546 10.2865 10.3244 10.3715 10.4629 10.4676 10.8851 10.9430 10.9863 10.9919 11.3912 11.3985 11.4519 11.4996 15.5891 15.5936 15.7233 15.7309 15.9417 15.9509 16.3300 16.3392 17.1043 17.1058 k = 0.1786 0.2945 0.6681 ( 2740 PWs) bands (ev): -8.4069 -8.4067 -7.6235 -7.6232 -5.4842 -5.4814 -5.4237 -5.4215 -0.4134 -0.4119 0.6875 0.6887 2.5421 2.5535 2.6179 2.6237 4.8566 4.8572 5.1745 5.1760 6.0455 6.0458 6.5711 6.5752 7.4472 7.4561 7.5166 7.5290 7.8018 7.8175 7.8898 7.8994 9.9852 10.0128 10.0638 10.1079 10.1114 10.2364 10.2522 10.2864 10.3232 10.3650 10.4552 10.4610 10.8902 10.9501 10.9904 10.9984 11.3939 11.4004 11.4513 11.4996 15.6230 15.6273 15.7192 15.7260 15.9225 15.9313 16.2798 16.2887 17.1258 17.1277 k = 0.1857 0.2859 0.6792 ( 2734 PWs) bands (ev): -8.3713 -8.3712 -7.6605 -7.6602 -5.4877 -5.4848 -5.4297 -5.4274 -0.3614 -0.3600 0.6318 0.6329 2.5372 2.5486 2.6065 2.6124 4.8831 4.8837 5.1692 5.1705 6.0617 6.0617 6.5410 6.5450 7.4667 7.4758 7.5370 7.5502 7.8130 7.8280 7.8849 7.8932 9.9969 10.0226 10.0676 10.1157 10.1163 10.2349 10.2513 10.2855 10.3229 10.3590 10.4465 10.4531 10.8953 10.9577 10.9948 11.0047 11.3971 11.4026 11.4507 11.4994 15.6546 15.6584 15.7167 15.7226 15.9069 15.9153 16.2294 16.2380 17.1502 17.1526 k = 0.1929 0.2774 0.6904 ( 2734 PWs) bands (ev): -8.3349 -8.3347 -7.6984 -7.6981 -5.4901 -5.4872 -5.4357 -5.4334 -0.3088 -0.3074 0.5760 0.5769 2.5329 2.5442 2.5953 2.6015 4.9097 4.9102 5.1636 5.1648 6.0785 6.0787 6.5102 6.5140 7.4854 7.4946 7.5550 7.5687 7.8231 7.8368 7.8809 7.8874 10.0087 10.0320 10.0711 10.1219 10.1236 10.2297 10.2527 10.2836 10.3229 10.3537 10.4369 10.4440 10.9004 10.9656 10.9994 11.0107 11.4004 11.4050 11.4499 11.4991 15.6834 15.6864 15.7164 15.7217 15.8944 15.9020 16.1794 16.1876 17.1777 17.1805 k = 0.2000 0.2688 0.7015 ( 2736 PWs) bands (ev): -8.2976 -8.2974 -7.7370 -7.7368 -5.4915 -5.4886 -5.4416 -5.4393 -0.2556 -0.2543 0.5201 0.5207 2.5291 2.5404 2.5846 2.5909 4.9359 4.9363 5.1576 5.1586 6.0965 6.0969 6.4787 6.4823 7.5031 7.5124 7.5704 7.5844 7.8319 7.8438 7.8781 7.8823 10.0206 10.0409 10.0742 10.1283 10.1315 10.2227 10.2553 10.2811 10.3230 10.3491 10.4264 10.4340 10.9053 10.9738 11.0038 11.0160 11.4037 11.4074 11.4492 11.4987 15.7082 15.7094 15.7201 15.7258 15.8841 15.8910 16.1300 16.1379 17.2084 17.2115 k = 0.2071 0.2603 0.7126 ( 2742 PWs) bands (ev): -8.2596 -8.2594 -7.7764 -7.7761 -5.4921 -5.4891 -5.4475 -5.4451 -0.2019 -0.2007 0.4641 0.4646 2.5261 2.5373 2.5745 2.5810 4.9615 4.9618 5.1509 5.1518 6.1156 6.1163 6.4468 6.4502 7.5197 7.5293 7.5829 7.5970 7.8393 7.8490 7.8768 7.8779 10.0323 10.0490 10.0768 10.1353 10.1391 10.2151 10.2581 10.2780 10.3233 10.3454 10.4153 10.4233 10.9099 10.9821 11.0081 11.0204 11.4068 11.4096 11.4484 11.4983 15.7215 15.7217 15.7360 15.7410 15.8756 15.8817 16.0818 16.0892 17.2421 17.2456 k = 0.2143 0.2518 0.7238 ( 2744 PWs) bands (ev): -8.2209 -8.2207 -7.8163 -7.8160 -5.4917 -5.4887 -5.4533 -5.4508 -0.1478 -0.1467 0.4080 0.4084 2.5239 2.5351 2.5652 2.5718 4.9860 4.9862 5.1434 5.1442 6.1362 6.1371 6.4148 6.4180 7.5353 7.5450 7.5923 7.6062 7.8454 7.8523 7.8744 7.8768 10.0436 10.0563 10.0789 10.1426 10.1460 10.2079 10.2606 10.2748 10.3241 10.3426 10.4038 10.4125 10.9142 10.9903 11.0121 11.0238 11.4096 11.4116 11.4476 11.4979 15.7312 15.7314 15.7563 15.7601 15.8681 15.8734 16.0351 16.0421 17.2788 17.2826 k = 0.2214 0.2432 0.7349 ( 2740 PWs) bands (ev): -8.1816 -8.1814 -7.8567 -7.8564 -5.4905 -5.4875 -5.4588 -5.4564 -0.0933 -0.0923 0.3520 0.3522 2.5225 2.5339 2.5568 2.5634 5.0092 5.0093 5.1348 5.1355 6.1583 6.1594 6.3829 6.3859 7.5495 7.5596 7.5987 7.6120 7.8502 7.8544 7.8719 7.8778 10.0544 10.0627 10.0804 10.1499 10.1513 10.2020 10.2627 10.2716 10.3256 10.3408 10.3921 10.4019 10.9180 10.9981 11.0156 11.0261 11.4120 11.4133 11.4470 11.4976 15.7436 15.7445 15.7747 15.7777 15.8611 15.8658 15.9904 15.9970 17.3182 17.3222 k = 0.2286 0.2347 0.7460 ( 2740 PWs) bands (ev): -8.1418 -8.1415 -7.8974 -7.8971 -5.4886 -5.4855 -5.4641 -5.4617 -0.0384 -0.0375 0.2960 0.2960 2.5220 2.5336 2.5496 2.5560 5.0309 5.0309 5.1250 5.1255 6.1818 6.1832 6.3514 6.3542 7.5623 7.5729 7.6019 7.6146 7.8537 7.8558 7.8702 7.8790 10.0640 10.0681 10.0812 10.1542 10.1566 10.1983 10.2640 10.2688 10.3283 10.3398 10.3808 10.3921 10.9212 11.0054 11.0185 11.0270 11.4140 11.4147 11.4465 11.4973 15.7597 15.7613 15.7909 15.7933 15.8544 15.8584 15.9483 15.9544 17.3600 17.3641 k = 0.2357 0.2261 0.7572 ( 2738 PWs) bands (ev): -8.1015 -8.1013 -7.9382 -7.9380 -5.4862 -5.4828 -5.4690 -5.4668 0.0168 0.0175 0.2399 0.2401 2.5223 2.5344 2.5437 2.5496 5.0508 5.0509 5.1137 5.1142 6.2069 6.2084 6.3204 6.3230 7.5733 7.5846 7.6024 7.6141 7.8560 7.8568 7.8692 7.8800 10.0719 10.0726 10.0813 10.1544 10.1621 10.1970 10.2646 10.2667 10.3323 10.3396 10.3702 10.3841 10.9235 11.0119 11.0206 11.0267 11.4154 11.4157 11.4461 11.4971 15.7794 15.7815 15.8050 15.8068 15.8476 15.8513 15.9093 15.9149 17.4035 17.4079 k = 0.2429 0.2176 0.7683 ( 2738 PWs) bands (ev): -8.0609 -8.0607 -7.9792 -7.9789 -5.4833 -5.4796 -5.4733 -5.4715 0.0721 0.0727 0.1840 0.1844 2.5231 2.5362 2.5395 2.5444 5.0687 5.0689 5.1011 5.1014 6.2334 6.2351 6.2903 6.2928 7.5818 7.5942 7.6008 7.6112 7.8573 7.8574 7.8688 7.8807 10.0761 10.0773 10.0805 10.1534 10.1656 10.1972 10.2648 10.2652 10.3371 10.3398 10.3613 10.3786 10.9249 11.0174 11.0219 11.0249 11.4162 11.4163 11.4459 11.4969 15.8007 15.8025 15.8177 15.8188 15.8415 15.8456 15.8745 15.8794 17.4483 17.4529 k = 0.2500 0.2090 0.7795 ( 2736 PWs) bands (ev): -8.0204 -8.0204 -8.0198 -8.0194 -5.4815 -5.4759 -5.4756 -5.4756 0.1231 0.1231 0.1329 0.1338 2.5235 2.5380 2.5380 2.5415 5.0811 5.0816 5.0905 5.0905 6.2606 6.2606 6.2619 6.2661 7.5856 7.5993 7.5993 7.6083 7.8577 7.8577 7.8687 7.8809 10.0783 10.0792 10.0792 10.1528 10.1669 10.1974 10.2648 10.2648 10.3400 10.3400 10.3570 10.3766 10.9254 11.0212 11.0223 11.0224 11.4165 11.4165 11.4458 11.4969 15.8126 15.8126 15.8265 15.8269 15.8423 15.8512 15.8512 15.8523 17.4895 17.4984 k = 0.2500 0.2090 0.7795 ( 2736 PWs) bands (ev): -8.0204 -8.0204 -8.0198 -8.0194 -5.4815 -5.4759 -5.4756 -5.4756 0.1231 0.1231 0.1329 0.1338 2.5235 2.5380 2.5380 2.5415 5.0811 5.0816 5.0905 5.0905 6.2606 6.2606 6.2619 6.2661 7.5856 7.5993 7.5993 7.6083 7.8577 7.8577 7.8687 7.8809 10.0783 10.0792 10.0792 10.1528 10.1669 10.1974 10.2648 10.2648 10.3400 10.3400 10.3570 10.3766 10.9254 11.0212 11.0223 11.0224 11.4165 11.4165 11.4458 11.4969 15.8126 15.8126 15.8265 15.8269 15.8423 15.8512 15.8512 15.8523 17.4895 17.4984 k = 0.2593 0.2168 0.7694 ( 2736 PWs) bands (ev): -8.0455 -8.0453 -7.9947 -7.9945 -5.4824 -5.4783 -5.4744 -5.4730 0.0920 0.0925 0.1632 0.1636 2.5246 2.5383 2.5399 2.5439 5.0719 5.0723 5.0964 5.0969 6.2420 6.2440 6.2805 6.2832 7.5845 7.5969 7.6010 7.6100 7.8574 7.8576 7.8687 7.8807 10.0755 10.0775 10.0821 10.1533 10.1660 10.1975 10.2640 10.2656 10.3379 10.3408 10.3589 10.3774 10.9257 11.0202 11.0205 11.0251 11.4133 11.4202 11.4460 11.4972 15.7961 15.8061 15.8140 15.8169 15.8516 15.8541 15.8689 15.8699 17.4634 17.4681 k = 0.2685 0.2245 0.7593 ( 2737 PWs) bands (ev): -8.0692 -8.0690 -7.9710 -7.9707 -5.4842 -5.4807 -5.4717 -5.4699 0.0571 0.0577 0.1960 0.1962 2.5282 2.5411 2.5448 2.5493 5.0539 5.0544 5.1053 5.1061 6.2214 6.2235 6.3013 6.3043 7.5821 7.5931 7.6039 7.6128 7.8568 7.8571 7.8686 7.8802 10.0713 10.0757 10.0837 10.1545 10.1636 10.1977 10.2629 10.2665 10.3348 10.3413 10.3632 10.3800 10.9265 11.0184 11.0195 11.0275 11.4105 11.4244 11.4464 11.4979 15.7702 15.7801 15.8026 15.8083 15.8662 15.8712 15.8914 15.8935 17.4309 17.4355 k = 0.2778 0.2323 0.7492 ( 2735 PWs) bands (ev): -8.0912 -8.0910 -7.9490 -7.9488 -5.4861 -5.4830 -5.4685 -5.4665 0.0230 0.0237 0.2269 0.2270 2.5345 2.5469 2.5525 2.5571 5.0309 5.0315 5.1139 5.1150 6.1996 6.2018 6.3228 6.3263 7.5795 7.5892 7.6070 7.6156 7.8561 7.8562 7.8684 7.8795 10.0665 10.0730 10.0845 10.1559 10.1601 10.1977 10.2617 10.2676 10.3324 10.3412 10.3689 10.3846 10.9277 11.0163 11.0192 11.0293 11.4083 11.4290 11.4472 11.4991 15.7429 15.7525 15.7943 15.8010 15.8816 15.8872 15.9154 15.9184 17.3967 17.4010 k = 0.2870 0.2400 0.7391 ( 2739 PWs) bands (ev): -8.1114 -8.1113 -7.9289 -7.9286 -5.4880 -5.4850 -5.4650 -5.4630 -0.0097 -0.0089 0.2557 0.2557 2.5435 2.5554 2.5626 2.5672 5.0039 5.0046 5.1215 5.1229 6.1771 6.1792 6.3441 6.3480 7.5768 7.5854 7.6100 7.6180 7.8550 7.8552 7.8679 7.8785 10.0612 10.0695 10.0847 10.1555 10.1570 10.1972 10.2602 10.2688 10.3311 10.3408 10.3753 10.3909 10.9290 11.0143 11.0187 11.0310 11.4066 11.4338 11.4485 11.5006 15.7161 15.7254 15.7879 15.7950 15.8960 15.9019 15.9402 15.9440 17.3609 17.3650 k = 0.2963 0.2478 0.7290 ( 2740 PWs) bands (ev): -8.1299 -8.1298 -7.9106 -7.9104 -5.4897 -5.4869 -5.4613 -5.4593 -0.0406 -0.0398 0.2822 0.2823 2.5548 2.5664 2.5751 2.5795 4.9737 4.9746 5.1279 5.1296 6.1542 6.1563 6.3645 6.3689 7.5741 7.5818 7.6128 7.6201 7.8538 7.8540 7.8673 7.8773 10.0556 10.0653 10.0845 10.1500 10.1575 10.1966 10.2587 10.2704 10.3309 10.3402 10.3823 10.3984 10.9302 11.0127 11.0178 11.0328 11.4056 11.4381 11.4509 11.5026 15.6903 15.6993 15.7830 15.7903 15.9094 15.9155 15.9656 15.9700 17.3240 17.3278 k = 0.3056 0.2555 0.7189 ( 2738 PWs) bands (ev): -8.1466 -8.1465 -7.8944 -7.8942 -5.4912 -5.4885 -5.4576 -5.4557 -0.0692 -0.0683 0.3064 0.3067 2.5683 2.5796 2.5898 2.5940 4.9412 4.9422 5.1327 5.1347 6.1313 6.1333 6.3832 6.3882 7.5713 7.5781 7.6155 7.6219 7.8524 7.8528 7.8665 7.8759 10.0497 10.0606 10.0840 10.1440 10.1572 10.1957 10.2578 10.2724 10.3316 10.3397 10.3898 10.4067 10.9313 11.0115 11.0163 11.0349 11.4052 11.4410 11.4552 11.5049 15.6657 15.6744 15.7793 15.7865 15.9220 15.9281 15.9915 15.9964 17.2862 17.2897 k = 0.3148 0.2632 0.7088 ( 2738 PWs) bands (ev): -8.1615 -8.1614 -7.8802 -7.8800 -5.4925 -5.4899 -5.4539 -5.4521 -0.0952 -0.0943 0.3282 0.3287 2.5837 2.5947 2.6064 2.6105 4.9070 4.9081 5.1357 5.1378 6.1090 6.1108 6.3998 6.4052 7.5683 7.5743 7.6179 7.6234 7.8509 7.8515 7.8655 7.8744 10.0436 10.0558 10.0831 10.1374 10.1562 10.1949 10.2575 10.2748 10.3328 10.3394 10.3976 10.4153 10.9319 11.0111 11.0141 11.0373 11.4052 11.4426 11.4612 11.5076 15.6422 15.6506 15.7762 15.7833 15.9340 15.9400 16.0177 16.0230 17.2480 17.2509 k = 0.3241 0.2710 0.6987 ( 2736 PWs) bands (ev): -8.1745 -8.1745 -7.8682 -7.8679 -5.4936 -5.4911 -5.4503 -5.4486 -0.1182 -0.1172 0.3477 0.3483 2.6007 2.6113 2.6249 2.6288 4.8718 4.8730 5.1364 5.1388 6.0876 6.0893 6.4137 6.4197 7.5650 7.5703 7.6200 7.6246 7.8492 7.8502 7.8643 7.8729 10.0373 10.0509 10.0819 10.1305 10.1546 10.1940 10.2583 10.2775 10.3343 10.3392 10.4055 10.4240 10.9321 11.0113 11.0115 11.0398 11.4058 11.4435 11.4683 11.5106 15.6201 15.6282 15.7734 15.7802 15.9458 15.9517 16.0443 16.0499 17.2096 17.2120 k = 0.3333 0.2787 0.6886 ( 2735 PWs) bands (ev): -8.1858 -8.1857 -7.8582 -7.8580 -5.4944 -5.4920 -5.4470 -5.4454 -0.1378 -0.1367 0.3646 0.3655 2.6189 2.6292 2.6451 2.6486 4.8362 4.8374 5.1346 5.1371 6.0678 6.0692 6.4246 6.4311 7.5613 7.5659 7.6219 7.6256 7.8476 7.8488 7.8631 7.8712 10.0309 10.0461 10.0801 10.1237 10.1525 10.1932 10.2601 10.2803 10.3357 10.3392 10.4136 10.4325 10.9319 11.0085 11.0122 11.0423 11.4068 11.4440 11.4758 11.5140 15.5992 15.6070 15.7702 15.7768 15.9576 15.9633 16.0713 16.0771 17.1716 17.1733 k = 0.3426 0.2865 0.6785 ( 2735 PWs) bands (ev): -8.1951 -8.1951 -7.8505 -7.8502 -5.4949 -5.4926 -5.4441 -5.4426 -0.1537 -0.1525 0.3791 0.3801 2.6380 2.6481 2.6666 2.6698 4.8009 4.8021 5.1299 5.1327 6.0498 6.0510 6.4323 6.4392 7.5570 7.5609 7.6235 7.6263 7.8459 7.8474 7.8619 7.8694 10.0245 10.0414 10.0780 10.1171 10.1500 10.1923 10.2630 10.2830 10.3369 10.3397 10.4215 10.4406 10.9315 11.0054 11.0136 11.0445 11.4081 11.4443 11.4837 11.5176 15.5796 15.5870 15.7663 15.7725 15.9698 15.9753 16.0986 16.1045 17.1344 17.1354 k = 0.3519 0.2942 0.6684 ( 2741 PWs) bands (ev): -8.2026 -8.2026 -7.8450 -7.8447 -5.4952 -5.4929 -5.4414 -5.4401 -0.1657 -0.1644 0.3911 0.3923 2.6578 2.6676 2.6891 2.6920 4.7663 4.7675 5.1223 5.1252 6.0342 6.0351 6.4367 6.4440 7.5519 7.5553 7.6247 7.6266 7.8444 7.8459 7.8607 7.8676 10.0182 10.0369 10.0754 10.1108 10.1475 10.1914 10.2669 10.2854 10.3378 10.3406 10.4292 10.4483 10.9310 11.0023 11.0153 11.0462 11.4097 11.4446 11.4915 11.5214 15.5612 15.5683 15.7611 15.7670 15.9827 15.9878 16.1261 16.1321 17.0987 17.0989 k = 0.3611 0.3020 0.6583 ( 2743 PWs) bands (ev): -8.2082 -8.2082 -7.8417 -7.8414 -5.4951 -5.4929 -5.4393 -5.4381 -0.1734 -0.1720 0.4006 0.4020 2.6779 2.6875 2.7123 2.7148 4.7331 4.7343 5.1114 5.1145 6.0213 6.0218 6.4377 6.4453 7.5462 7.5490 7.6253 7.6265 7.8430 7.8443 7.8598 7.8659 10.0121 10.0328 10.0725 10.1051 10.1450 10.1904 10.2717 10.2871 10.3382 10.3423 10.4365 10.4553 10.9305 10.9993 11.0172 11.0474 11.4116 11.4449 11.4991 11.5254 15.5440 15.5507 15.7542 15.7596 15.9964 16.0013 16.1538 16.1598 17.0646 17.0651 k = 0.3704 0.3097 0.6482 ( 2747 PWs) bands (ev): -8.2119 -8.2119 -7.8407 -7.8404 -5.4947 -5.4926 -5.4376 -5.4366 -0.1768 -0.1753 0.4076 0.4092 2.6981 2.7074 2.7359 2.7379 4.7019 4.7029 5.0974 5.1005 6.0113 6.0114 6.4353 6.4431 7.5396 7.5420 7.6251 7.6257 7.8418 7.8426 7.8591 7.8641 10.0061 10.0291 10.0691 10.0998 10.1426 10.1892 10.2774 10.2878 10.3382 10.3448 10.4435 10.4618 10.9304 10.9967 11.0191 11.0479 11.4138 11.4452 11.5064 11.5293 15.5281 15.5344 15.7451 15.7501 16.0114 16.0158 16.1815 16.1875 17.0331 17.0345 k = 0.3796 0.3174 0.6382 ( 2749 PWs) bands (ev): -8.2138 -8.2137 -7.8420 -7.8416 -5.4940 -5.4920 -5.4365 -5.4356 -0.1756 -0.1739 0.4120 0.4138 2.7181 2.7272 2.7593 2.7608 4.6731 4.6741 5.0801 5.0832 6.0041 6.0044 6.4296 6.4376 7.5322 7.5342 7.6239 7.6241 7.8409 7.8410 7.8587 7.8625 10.0005 10.0257 10.0654 10.0951 10.1404 10.1876 10.2836 10.2876 10.3378 10.3485 10.4500 10.4675 10.9306 10.9944 11.0209 11.0478 11.4162 11.4456 11.5133 11.5330 15.5133 15.5192 15.7335 15.7382 16.0277 16.0316 16.2089 16.2148 17.0054 17.0076 k = 0.3889 0.3252 0.6281 ( 2754 PWs) bands (ev): -8.2136 -8.2135 -7.8455 -7.8452 -5.4930 -5.4911 -5.4358 -5.4351 -0.1697 -0.1679 0.4140 0.4160 2.7377 2.7466 2.7822 2.7831 4.6474 4.6482 5.0598 5.0629 5.9999 6.0007 6.4207 6.4288 7.5241 7.5257 7.6213 7.6213 7.8395 7.8403 7.8587 7.8611 9.9953 10.0227 10.0614 10.0909 10.1383 10.1857 10.2863 10.2901 10.3371 10.3532 10.4559 10.4725 10.9315 10.9927 11.0223 11.0469 11.4189 11.4462 11.5194 11.5365 15.4997 15.5052 15.7192 15.7235 16.0454 16.0488 16.2355 16.2413 16.9825 16.9854 k = 0.3981 0.3329 0.6180 ( 2756 PWs) bands (ev): -8.2116 -8.2115 -7.8514 -7.8510 -5.4917 -5.4898 -5.4357 -5.4352 -0.1591 -0.1572 0.4135 0.4157 2.7566 2.7653 2.8041 2.8043 4.6253 4.6259 5.0366 5.0397 5.9988 6.0001 6.4088 6.4169 7.5152 7.5166 7.6169 7.6172 7.8383 7.8401 7.8591 7.8600 9.9904 10.0200 10.0571 10.0871 10.1363 10.1832 10.2840 10.2966 10.3367 10.3587 10.4613 10.4769 10.9330 10.9915 11.0235 11.0452 11.4217 11.4469 11.5248 11.5396 15.4873 15.4923 15.7022 15.7062 16.0647 16.0676 16.2610 16.2666 16.9653 16.9690 k = 0.4074 0.3407 0.6079 ( 2760 PWs) bands (ev): -8.2076 -8.2074 -7.8595 -7.8591 -5.4900 -5.4882 -5.4361 -5.4357 -0.1438 -0.1417 0.4106 0.4129 2.7746 2.7832 2.8240 2.8244 4.6073 4.6076 5.0108 5.0140 6.0006 6.0024 6.3941 6.4021 7.5056 7.5068 7.6107 7.6112 7.8375 7.8404 7.8594 7.8598 9.9860 10.0176 10.0526 10.0835 10.1346 10.1802 10.2811 10.3018 10.3374 10.3649 10.4661 10.4806 10.9353 10.9909 11.0241 11.0427 11.4248 11.4477 11.5294 11.5421 15.4759 15.4805 15.6825 15.6861 16.0857 16.0880 16.2845 16.2900 16.9548 16.9592 k = 0.4167 0.3484 0.5978 ( 2762 PWs) bands (ev): -8.2017 -8.2015 -7.8699 -7.8695 -5.4880 -5.4862 -5.4370 -5.4368 -0.1238 -0.1215 0.4052 0.4077 2.7916 2.8000 2.8417 2.8429 4.5937 4.5938 4.9829 4.9861 6.0053 6.0075 6.3767 6.3846 7.4956 7.4965 7.6023 7.6028 7.8374 7.8411 7.8593 7.8608 9.9822 10.0155 10.0478 10.0801 10.1329 10.1765 10.2777 10.3047 10.3404 10.3716 10.4705 10.4838 10.9383 10.9909 11.0244 11.0395 11.4279 11.4487 11.5330 11.5440 15.4657 15.4699 15.6605 15.6637 16.1083 16.1100 16.3055 16.3109 16.9520 16.9569 k = 0.4259 0.3562 0.5877 ( 2760 PWs) bands (ev): -8.1939 -8.1936 -7.8826 -7.8822 -5.4856 -5.4839 -5.4382 -5.4382 -0.0991 -0.0967 0.3973 0.4000 2.8074 2.8157 2.8572 2.8591 4.5848 4.5850 4.9532 4.9563 6.0125 6.0152 6.3568 6.3645 7.4851 7.4859 7.5914 7.5920 7.8381 7.8425 7.8597 7.8622 9.9788 10.0135 10.0428 10.0765 10.1315 10.1723 10.2740 10.3044 10.3464 10.3785 10.4744 10.4866 10.9421 10.9914 11.0242 11.0358 11.4312 11.4498 11.5357 11.5453 15.4566 15.4603 15.6362 15.6391 16.1325 16.1336 16.3235 16.3287 16.9573 16.9628 k = 0.4352 0.3639 0.5776 ( 2760 PWs) bands (ev): -8.1841 -8.1838 -7.8975 -7.8970 -5.4829 -5.4813 -5.4399 -5.4398 -0.0698 -0.0673 0.3870 0.3899 2.8218 2.8300 2.8701 2.8728 4.5809 4.5815 4.9221 4.9252 6.0220 6.0252 6.3347 6.3422 7.4743 7.4750 7.5778 7.5783 7.8397 7.8445 7.8606 7.8638 9.9761 10.0114 10.0377 10.0726 10.1303 10.1674 10.2703 10.3013 10.3548 10.3855 10.4779 10.4890 10.9466 10.9923 11.0237 11.0316 11.4344 11.4508 11.5374 11.5457 15.4486 15.4519 15.6104 15.6128 16.1582 16.1587 16.3380 16.3430 16.9711 16.9770 k = 0.4444 0.3716 0.5675 ( 2756 PWs) bands (ev): -8.1723 -8.1720 -7.9146 -7.9141 -5.4798 -5.4782 -5.4419 -5.4416 -0.0362 -0.0334 0.3742 0.3773 2.8349 2.8429 2.8802 2.8837 4.5823 4.5832 4.8900 4.8930 6.0337 6.0372 6.3105 6.3177 7.4633 7.4639 7.5613 7.5618 7.8423 7.8473 7.8621 7.8658 9.9738 10.0091 10.0327 10.0681 10.1294 10.1620 10.2666 10.2965 10.3645 10.3923 10.4811 10.4911 10.9517 10.9937 11.0228 11.0271 11.4376 11.4518 11.5382 11.5454 15.4417 15.4447 15.5834 15.5854 16.1851 16.1853 16.3490 16.3539 16.9934 16.9997 k = 0.4537 0.3794 0.5574 ( 2755 PWs) bands (ev): -8.1586 -8.1583 -7.9338 -7.9334 -5.4764 -5.4749 -5.4440 -5.4436 0.0017 0.0046 0.3590 0.3622 2.8464 2.8543 2.8875 2.8916 4.5891 4.5903 4.8574 4.8603 6.0472 6.0511 6.2845 6.2914 7.4521 7.4527 7.5418 7.5423 7.8458 7.8507 7.8640 7.8680 9.9721 10.0059 10.0281 10.0627 10.1286 10.1563 10.2631 10.2904 10.3750 10.3989 10.4843 10.4932 10.9573 10.9950 11.0216 11.0225 11.4407 11.4527 11.5382 11.5444 15.4360 15.4386 15.5557 15.5573 16.2128 16.2136 16.3566 16.3613 17.0236 17.0302 k = 0.4630 0.3871 0.5473 ( 2759 PWs) bands (ev): -8.1430 -8.1426 -7.9552 -7.9548 -5.4726 -5.4712 -5.4462 -5.4456 0.0435 0.0466 0.3413 0.3447 2.8563 2.8640 2.8919 2.8967 4.6011 4.6027 4.8244 4.8273 6.0622 6.0664 6.2569 6.2635 7.4410 7.4414 7.5194 7.5198 7.8502 7.8548 7.8665 7.8704 9.9709 10.0013 10.0243 10.0562 10.1279 10.1503 10.2598 10.2834 10.3856 10.4049 10.4875 10.4953 10.9632 10.9961 11.0182 11.0201 11.4434 11.4533 11.5374 11.5427 15.4314 15.4336 15.5280 15.5292 16.2415 16.2429 16.3612 16.3658 17.0610 17.0678 k = 0.4722 0.3949 0.5372 ( 2763 PWs) bands (ev): -8.1254 -8.1250 -7.9787 -7.9782 -5.4686 -5.4672 -5.4483 -5.4476 0.0891 0.0924 0.3211 0.3247 2.8646 2.8720 2.8937 2.8989 4.6184 4.6202 4.7917 4.7945 6.0786 6.0831 6.2278 6.2340 7.4299 7.4302 7.4942 7.4945 7.8553 7.8593 7.8696 7.8731 9.9700 9.9952 10.0216 10.0484 10.1274 10.1442 10.2568 10.2757 10.3961 10.4104 10.4910 10.4975 10.9693 10.9961 11.0149 11.0186 11.4459 11.4534 11.5362 11.5404 15.4280 15.4299 15.5009 15.5016 16.2708 16.2728 16.3634 16.3678 17.1046 17.1116 k = 0.4815 0.4026 0.5271 ( 2763 PWs) bands (ev): -8.1058 -8.1054 -8.0042 -8.0037 -5.4643 -5.4630 -5.4502 -5.4493 0.1382 0.1417 0.2985 0.3022 2.8713 2.8779 2.8934 2.8986 4.6404 4.6426 4.7594 4.7621 6.0962 6.1009 6.1974 6.2033 7.4188 7.4190 7.4663 7.4665 7.8611 7.8642 7.8734 7.8761 9.9696 9.9877 10.0198 10.0393 10.1270 10.1382 10.2543 10.2675 10.4060 10.4153 10.4951 10.5001 10.9753 10.9943 11.0134 11.0170 11.4479 11.4531 11.5348 11.5378 15.4258 15.4272 15.4748 15.4750 16.3003 16.3030 16.3635 16.3677 17.1536 17.1606 k = 0.4907 0.4104 0.5170 ( 2767 PWs) bands (ev): -8.0843 -8.0839 -8.0316 -8.0311 -5.4598 -5.4587 -5.4516 -5.4507 0.1904 0.1941 0.2734 0.2772 2.8761 2.8808 2.8921 2.8962 4.6669 4.6693 4.7279 4.7305 6.1146 6.1196 6.1661 6.1716 7.4072 7.4073 7.4364 7.4365 7.8674 7.8691 7.8780 7.8795 9.9694 9.9790 10.0184 10.0288 10.1266 10.1322 10.2521 10.2590 10.4150 10.4194 10.5000 10.5029 10.9811 10.9908 11.0135 11.0156 11.4494 11.4520 11.5334 11.5350 15.4243 15.4254 15.4503 15.4505 16.3294 16.3326 16.3620 16.3660 17.2067 17.2137 k = 0.5000 0.4181 0.5070 ( 2770 PWs) bands (ev): -8.0612 -8.0611 -8.0601 -8.0601 -5.4559 -5.4559 -5.4509 -5.4509 0.2436 0.2436 0.2516 0.2516 2.8787 2.8787 2.8923 2.8923 4.6967 4.6967 4.7007 4.7007 6.1336 6.1336 6.1390 6.1390 7.3914 7.3914 7.4085 7.4085 7.8739 7.8739 7.8835 7.8835 9.9695 9.9695 10.0172 10.0172 10.1262 10.1262 10.2504 10.2504 10.4229 10.4229 10.5060 10.5060 10.9863 10.9863 11.0145 11.0145 11.4503 11.4503 11.5322 11.5322 15.4208 15.4208 15.4315 15.4315 16.3558 16.3558 16.3646 16.3646 17.2607 17.2607 k = 0.5000 0.4181 0.5070 ( 2770 PWs) bands (ev): -8.0612 -8.0611 -8.0601 -8.0601 -5.4559 -5.4559 -5.4509 -5.4509 0.2436 0.2436 0.2516 0.2516 2.8787 2.8787 2.8923 2.8923 4.6967 4.6967 4.7007 4.7007 6.1336 6.1336 6.1390 6.1390 7.3914 7.3914 7.4085 7.4085 7.8739 7.8739 7.8835 7.8835 9.9695 9.9695 10.0172 10.0172 10.1262 10.1262 10.2504 10.2504 10.4229 10.4229 10.5060 10.5060 10.9863 10.9863 11.0145 11.0145 11.4503 11.4503 11.5322 11.5322 15.4208 15.4208 15.4315 15.4315 16.3558 16.3558 16.3646 16.3646 17.2607 17.2607 k = 0.5000 0.4181 0.4916 ( 2766 PWs) bands (ev): -8.0657 -8.0657 -8.0646 -8.0646 -5.4526 -5.4526 -5.4476 -5.4476 0.2644 0.2644 0.2728 0.2728 2.8764 2.8764 2.8901 2.8901 4.6990 4.6990 4.7030 4.7030 6.1235 6.1235 6.1287 6.1287 7.3566 7.3566 7.3734 7.3734 7.8831 7.8831 7.8919 7.8919 9.9617 9.9617 10.0072 10.0072 10.1211 10.1211 10.2424 10.2424 10.4307 10.4307 10.5132 10.5132 10.9868 10.9868 11.0152 11.0152 11.4493 11.4493 11.5293 11.5293 15.4039 15.4039 15.4152 15.4152 16.3720 16.3720 16.3806 16.3806 17.2435 17.2435 k = 0.5000 0.4181 0.4762 ( 2764 PWs) bands (ev): -8.0704 -8.0704 -8.0693 -8.0693 -5.4490 -5.4490 -5.4439 -5.4439 0.2849 0.2849 0.2936 0.2936 2.8745 2.8745 2.8883 2.8883 4.7017 4.7017 4.7058 4.7058 6.1133 6.1133 6.1181 6.1181 7.3204 7.3204 7.3368 7.3368 7.8934 7.8934 7.9014 7.9014 9.9534 9.9534 9.9972 9.9972 10.1155 10.1155 10.2337 10.2337 10.4383 10.4383 10.5202 10.5202 10.9879 10.9880 11.0166 11.0166 11.4484 11.4484 11.5264 11.5264 15.3867 15.3867 15.3985 15.3985 16.3834 16.3834 16.3918 16.3918 17.2313 17.2313 k = 0.5000 0.4181 0.4609 ( 2768 PWs) bands (ev): -8.0754 -8.0754 -8.0743 -8.0743 -5.4448 -5.4448 -5.4397 -5.4397 0.3049 0.3049 0.3139 0.3139 2.8732 2.8732 2.8871 2.8871 4.7049 4.7049 4.7091 4.7091 6.1028 6.1028 6.1074 6.1074 7.2827 7.2827 7.2987 7.2987 7.9049 7.9049 7.9121 7.9121 9.9446 9.9446 9.9872 9.9873 10.1093 10.1093 10.2242 10.2243 10.4457 10.4458 10.5270 10.5270 10.9897 10.9897 11.0187 11.0187 11.4477 11.4477 11.5235 11.5235 15.3693 15.3693 15.3815 15.3815 16.3885 16.3885 16.3966 16.3966 17.2257 17.2257 k = 0.5000 0.4181 0.4455 ( 2766 PWs) bands (ev): -8.0805 -8.0805 -8.0794 -8.0794 -5.4402 -5.4402 -5.4351 -5.4351 0.3243 0.3243 0.3336 0.3336 2.8725 2.8725 2.8865 2.8865 4.7088 4.7088 4.7130 4.7130 6.0923 6.0923 6.0965 6.0965 7.2436 7.2436 7.2593 7.2593 7.9176 7.9176 7.9241 7.9241 9.9357 9.9357 9.9775 9.9775 10.1024 10.1025 10.2142 10.2142 10.4531 10.4531 10.5339 10.5339 10.9920 10.9920 11.0213 11.0213 11.4472 11.4472 11.5207 11.5207 15.3519 15.3519 15.3644 15.3644 16.3865 16.3865 16.3943 16.3943 17.2277 17.2277 k = 0.5000 0.4181 0.4301 ( 2766 PWs) bands (ev): -8.0858 -8.0858 -8.0847 -8.0847 -5.4351 -5.4351 -5.4300 -5.4300 0.3428 0.3428 0.3524 0.3524 2.8726 2.8726 2.8866 2.8866 4.7134 4.7134 4.7176 4.7176 6.0816 6.0816 6.0855 6.0855 7.2032 7.2032 7.2186 7.2186 7.9315 7.9315 7.9374 7.9374 9.9265 9.9265 9.9680 9.9680 10.0949 10.0949 10.2036 10.2036 10.4604 10.4604 10.5408 10.5408 10.9946 10.9947 11.0244 11.0244 11.4468 11.4468 11.5178 11.5178 15.3346 15.3346 15.3473 15.3473 16.3769 16.3769 16.3843 16.3843 17.2380 17.2380 k = 0.5000 0.4181 0.4148 ( 2770 PWs) bands (ev): -8.0913 -8.0913 -8.0902 -8.0902 -5.4296 -5.4296 -5.4245 -5.4245 0.3604 0.3604 0.3701 0.3701 2.8735 2.8735 2.8875 2.8875 4.7188 4.7188 4.7230 4.7230 6.0707 6.0707 6.0742 6.0742 7.1615 7.1615 7.1766 7.1766 7.9465 7.9465 7.9520 7.9520 9.9172 9.9172 9.9586 9.9586 10.0867 10.0867 10.1925 10.1925 10.4676 10.4677 10.5478 10.5478 10.9977 10.9977 11.0280 11.0280 11.4464 11.4464 11.5147 11.5148 15.3178 15.3178 15.3304 15.3305 16.3597 16.3597 16.3667 16.3667 17.2565 17.2565 k = 0.5000 0.4181 0.3994 ( 2770 PWs) bands (ev): -8.0970 -8.0970 -8.0958 -8.0958 -5.4236 -5.4236 -5.4185 -5.4185 0.3769 0.3769 0.3868 0.3868 2.8753 2.8753 2.8893 2.8893 4.7250 4.7250 4.7291 4.7291 6.0598 6.0598 6.0629 6.0629 7.1187 7.1187 7.1334 7.1334 7.9627 7.9627 7.9681 7.9681 9.9080 9.9080 9.9495 9.9495 10.0778 10.0778 10.1810 10.1810 10.4747 10.4747 10.5549 10.5549 11.0010 11.0010 11.0320 11.0320 11.4458 11.4458 11.5116 11.5116 15.3015 15.3015 15.3141 15.3141 16.3355 16.3355 16.3422 16.3422 17.2827 17.2827 k = 0.5000 0.4181 0.3841 ( 2766 PWs) bands (ev): -8.1027 -8.1027 -8.1016 -8.1016 -5.4172 -5.4172 -5.4121 -5.4121 0.3921 0.3921 0.4022 0.4022 2.8780 2.8780 2.8920 2.8920 4.7320 4.7320 4.7361 4.7361 6.0487 6.0487 6.0514 6.0514 7.0748 7.0748 7.0892 7.0892 7.9799 7.9799 7.9855 7.9855 9.8991 9.8991 9.9407 9.9407 10.0684 10.0684 10.1692 10.1692 10.4817 10.4817 10.5621 10.5621 11.0045 11.0045 11.0363 11.0363 11.4452 11.4452 11.5083 11.5083 15.2860 15.2860 15.2983 15.2983 16.3053 16.3053 16.3119 16.3119 17.3155 17.3155 k = 0.5000 0.4181 0.3687 ( 2770 PWs) bands (ev): -8.1086 -8.1086 -8.1074 -8.1074 -5.4104 -5.4104 -5.4054 -5.4054 0.4060 0.4061 0.4161 0.4161 2.8818 2.8818 2.8956 2.8956 4.7400 4.7400 4.7441 4.7441 6.0374 6.0374 6.0398 6.0398 7.0298 7.0298 7.0439 7.0439 7.9982 7.9982 8.0043 8.0043 9.8904 9.8904 9.9321 9.9321 10.0585 10.0585 10.1572 10.1572 10.4885 10.4885 10.5693 10.5693 11.0082 11.0082 11.0410 11.0410 11.4443 11.4443 11.5047 11.5048 15.2715 15.2715 15.2833 15.2833 16.2702 16.2702 16.2768 16.2768 17.3536 17.3536 k = 0.5000 0.4181 0.3533 ( 2766 PWs) bands (ev): -8.1145 -8.1145 -8.1133 -8.1133 -5.4033 -5.4033 -5.3983 -5.3983 0.4186 0.4186 0.4287 0.4287 2.8866 2.8866 2.9003 2.9003 4.7490 4.7490 4.7530 4.7530 6.0261 6.0261 6.0282 6.0282 6.9839 6.9839 6.9978 6.9978 8.0175 8.0175 8.0243 8.0243 9.8821 9.8821 9.9239 9.9239 10.0481 10.0481 10.1451 10.1451 10.4950 10.4950 10.5764 10.5764 11.0121 11.0121 11.0462 11.0462 11.4430 11.4430 11.5009 11.5009 15.2580 15.2580 15.2693 15.2693 16.2312 16.2312 16.2380 16.2381 17.3957 17.3957 k = 0.5000 0.4181 0.3380 ( 2758 PWs) bands (ev): -8.1204 -8.1204 -8.1193 -8.1193 -5.3958 -5.3958 -5.3908 -5.3908 0.4296 0.4296 0.4397 0.4397 2.8925 2.8925 2.9060 2.9060 4.7590 4.7590 4.7629 4.7629 6.0147 6.0148 6.0165 6.0165 6.9372 6.9372 6.9508 6.9508 8.0378 8.0378 8.0454 8.0454 9.8743 9.8743 9.9162 9.9162 10.0374 10.0374 10.1330 10.1330 10.5013 10.5013 10.5834 10.5834 11.0163 11.0163 11.0518 11.0518 11.4413 11.4413 11.4967 11.4967 15.2458 15.2458 15.2564 15.2564 16.1894 16.1894 16.1967 16.1967 17.4406 17.4406 k = 0.5000 0.4181 0.3226 ( 2758 PWs) bands (ev): -8.1264 -8.1264 -8.1253 -8.1253 -5.3880 -5.3880 -5.3831 -5.3831 0.4392 0.4392 0.4492 0.4492 2.8995 2.8995 2.9128 2.9128 4.7700 4.7700 4.7738 4.7738 6.0033 6.0033 6.0048 6.0048 6.8898 6.8898 6.9030 6.9030 8.0589 8.0589 8.0674 8.0674 9.8669 9.8669 9.9087 9.9087 10.0264 10.0264 10.1209 10.1209 10.5073 10.5073 10.5900 10.5900 11.0207 11.0207 11.0578 11.0578 11.4390 11.4390 11.4920 11.4920 15.2350 15.2351 15.2447 15.2447 16.1457 16.1457 16.1536 16.1536 17.4869 17.4869 k = 0.5000 0.4181 0.3072 ( 2756 PWs) bands (ev): -8.1324 -8.1324 -8.1313 -8.1313 -5.3800 -5.3800 -5.3752 -5.3752 0.4473 0.4473 0.4572 0.4572 2.9075 2.9075 2.9205 2.9205 4.7821 4.7821 4.7857 4.7857 5.9920 5.9920 5.9932 5.9932 6.8417 6.8417 6.8547 6.8547 8.0809 8.0809 8.0904 8.0904 9.8600 9.8600 9.9018 9.9018 10.0153 10.0153 10.1090 10.1090 10.5129 10.5129 10.5961 10.5961 11.0253 11.0254 11.0643 11.0643 11.4361 11.4361 11.4869 11.4869 15.2258 15.2258 15.2344 15.2344 16.1008 16.1008 16.1095 16.1095 17.5334 17.5334 k = 0.5000 0.4181 0.2919 ( 2756 PWs) bands (ev): -8.1383 -8.1383 -8.1372 -8.1372 -5.3718 -5.3718 -5.3671 -5.3671 0.4539 0.4539 0.4637 0.4637 2.9164 2.9164 2.9291 2.9291 4.7952 4.7952 4.7987 4.7987 5.9806 5.9806 5.9818 5.9818 6.7931 6.7931 6.8058 6.8058 8.1036 8.1036 8.1140 8.1140 9.8537 9.8538 9.8953 9.8953 10.0040 10.0040 10.0972 10.0972 10.5181 10.5181 10.6017 10.6017 11.0304 11.0304 11.0714 11.0714 11.4325 11.4325 11.4813 11.4813 15.2181 15.2181 15.2257 15.2257 16.0553 16.0553 16.0650 16.0650 17.5789 17.5789 k = 0.5000 0.4181 0.2765 ( 2752 PWs) bands (ev): -8.1441 -8.1441 -8.1431 -8.1431 -5.3634 -5.3634 -5.3589 -5.3589 0.4591 0.4591 0.4686 0.4686 2.9263 2.9263 2.9386 2.9386 4.8094 4.8094 4.8127 4.8127 5.9695 5.9695 5.9707 5.9707 6.7442 6.7442 6.7566 6.7566 8.1268 8.1268 8.1381 8.1381 9.8481 9.8481 9.8894 9.8894 9.9928 9.9928 10.0857 10.0857 10.5228 10.5228 10.6066 10.6066 11.0358 11.0358 11.0789 11.0789 11.4281 11.4281 11.4753 11.4753 15.2121 15.2121 15.2186 15.2186 16.0099 16.0099 16.0206 16.0206 17.6222 17.6222 k = 0.5000 0.4181 0.2612 ( 2748 PWs) bands (ev): -8.1498 -8.1498 -8.1488 -8.1488 -5.3550 -5.3550 -5.3506 -5.3506 0.4629 0.4629 0.4722 0.4722 2.9370 2.9370 2.9488 2.9488 4.8245 4.8245 4.8276 4.8276 5.9586 5.9586 5.9599 5.9599 6.6949 6.6949 6.7071 6.7071 8.1505 8.1505 8.1625 8.1625 9.8431 9.8431 9.8842 9.8842 9.9816 9.9816 10.0745 10.0745 10.5272 10.5272 10.6106 10.6106 11.0416 11.0416 11.0870 11.0870 11.4229 11.4229 11.4687 11.4687 15.2077 15.2077 15.2134 15.2134 15.9648 15.9648 15.9766 15.9766 17.6624 17.6624 k = 0.5000 0.4181 0.2458 ( 2752 PWs) bands (ev): -8.1554 -8.1554 -8.1544 -8.1544 -5.3466 -5.3466 -5.3424 -5.3424 0.4655 0.4655 0.4745 0.4745 2.9483 2.9483 2.9597 2.9597 4.8405 4.8405 4.8435 4.8435 5.9480 5.9480 5.9496 5.9496 6.6456 6.6456 6.6575 6.6575 8.1743 8.1744 8.1871 8.1871 9.8386 9.8386 9.8795 9.8795 9.9706 9.9706 10.0636 10.0636 10.5310 10.5310 10.6138 10.6138 11.0478 11.0478 11.0956 11.0956 11.4167 11.4167 11.4615 11.4615 15.2049 15.2049 15.2100 15.2100 15.9205 15.9205 15.9335 15.9335 17.6983 17.6983 k = 0.5000 0.4181 0.2304 ( 2750 PWs) bands (ev): -8.1608 -8.1608 -8.1599 -8.1599 -5.3382 -5.3382 -5.3342 -5.3342 0.4670 0.4670 0.4756 0.4756 2.9602 2.9602 2.9711 2.9711 4.8574 4.8574 4.8602 4.8602 5.9380 5.9380 5.9399 5.9399 6.5963 6.5963 6.6079 6.6079 8.1983 8.1983 8.2116 8.2116 9.8348 9.8348 9.8756 9.8756 9.9598 9.9598 10.0530 10.0530 10.5344 10.5344 10.6160 10.6161 11.0545 11.0545 11.1047 11.1047 11.4096 11.4097 11.4539 11.4539 15.2037 15.2037 15.2088 15.2088 15.8771 15.8771 15.8914 15.8914 17.7292 17.7292 k = 0.5000 0.4181 0.2151 ( 2750 PWs) bands (ev): -8.1660 -8.1660 -8.1652 -8.1652 -5.3300 -5.3300 -5.3262 -5.3262 0.4674 0.4674 0.4757 0.4757 2.9725 2.9725 2.9828 2.9828 4.8750 4.8750 4.8776 4.8776 5.9286 5.9286 5.9308 5.9308 6.5472 6.5472 6.5585 6.5585 8.2221 8.2221 8.2358 8.2358 9.8315 9.8315 9.8725 9.8725 9.9493 9.9493 10.0428 10.0428 10.5373 10.5374 10.6173 10.6173 11.0617 11.0617 11.1144 11.1144 11.4017 11.4017 11.4458 11.4458 15.2039 15.2039 15.2098 15.2098 15.8351 15.8351 15.8506 15.8506 17.7545 17.7545 k = 0.5000 0.4181 0.1997 ( 2750 PWs) bands (ev): -8.1710 -8.1710 -8.1702 -8.1702 -5.3220 -5.3220 -5.3183 -5.3183 0.4670 0.4670 0.4748 0.4748 2.9850 2.9850 2.9947 2.9947 4.8933 4.8933 4.8956 4.8956 5.9201 5.9201 5.9227 5.9227 6.4984 6.4984 6.5095 6.5095 8.2456 8.2456 8.2596 8.2596 9.8288 9.8288 9.8701 9.8701 9.9392 9.9393 10.0329 10.0329 10.5399 10.5399 10.6177 10.6177 11.0694 11.0694 11.1244 11.1244 11.3928 11.3929 11.4373 11.4373 15.2057 15.2057 15.2129 15.2129 15.7944 15.7944 15.8113 15.8113 17.7738 17.7738 k = 0.5000 0.4181 0.1843 ( 2750 PWs) bands (ev): -8.1758 -8.1758 -8.1750 -8.1750 -5.3142 -5.3142 -5.3107 -5.3107 0.4658 0.4658 0.4731 0.4731 2.9975 2.9975 3.0066 3.0066 4.9120 4.9120 4.9141 4.9141 5.9125 5.9125 5.9155 5.9155 6.4502 6.4502 6.4610 6.4610 8.2685 8.2685 8.2826 8.2826 9.8266 9.8266 9.8685 9.8685 9.9297 9.9297 10.0234 10.0234 10.5422 10.5422 10.6172 10.6172 11.0776 11.0776 11.1348 11.1348 11.3832 11.3832 11.4283 11.4283 15.2090 15.2090 15.2179 15.2179 15.7554 15.7554 15.7735 15.7735 17.7870 17.7870 k = 0.5000 0.4181 0.1690 ( 2746 PWs) bands (ev): -8.1802 -8.1802 -8.1795 -8.1795 -5.3067 -5.3067 -5.3035 -5.3035 0.4640 0.4640 0.4709 0.4709 3.0100 3.0100 3.0184 3.0184 4.9309 4.9309 4.9328 4.9328 5.9062 5.9062 5.9095 5.9095 6.4028 6.4028 6.4133 6.4133 8.2907 8.2907 8.3047 8.3047 9.8249 9.8249 9.8676 9.8676 9.9207 9.9207 10.0143 10.0143 10.5442 10.5442 10.6158 10.6158 11.0863 11.0863 11.1455 11.1455 11.3728 11.3729 11.4189 11.4189 15.2140 15.2140 15.2247 15.2247 15.7180 15.7180 15.7373 15.7373 17.7945 17.7945 k = 0.5000 0.4181 0.1536 ( 2754 PWs) bands (ev): -8.1844 -8.1844 -8.1837 -8.1837 -5.2996 -5.2996 -5.2967 -5.2967 0.4618 0.4618 0.4681 0.4681 3.0221 3.0221 3.0298 3.0298 4.9499 4.9499 4.9515 4.9515 5.9011 5.9011 5.9049 5.9049 6.3563 6.3563 6.3665 6.3665 8.3120 8.3120 8.3256 8.3256 9.8236 9.8236 9.8673 9.8673 9.9124 9.9125 10.0054 10.0054 10.5459 10.5459 10.6135 10.6135 11.0954 11.0954 11.1564 11.1564 11.3618 11.3619 11.4092 11.4092 15.2206 15.2206 15.2331 15.2331 15.6823 15.6823 15.7029 15.7029 17.7969 17.7969 k = 0.5000 0.4181 0.1383 ( 2742 PWs) bands (ev): -8.1882 -8.1882 -8.1876 -8.1876 -5.2930 -5.2930 -5.2903 -5.2903 0.4593 0.4594 0.4651 0.4651 3.0337 3.0337 3.0408 3.0408 4.9686 4.9686 4.9701 4.9701 5.8977 5.8977 5.9018 5.9018 6.3110 6.3110 6.3210 6.3210 8.3321 8.3321 8.3452 8.3452 9.8229 9.8229 9.8673 9.8673 9.9054 9.9054 9.9968 9.9968 10.5478 10.5478 10.6108 10.6108 11.1050 11.1050 11.1673 11.1673 11.3505 11.3505 11.3991 11.3992 15.2287 15.2287 15.2429 15.2429 15.6486 15.6486 15.6702 15.6702 17.7950 17.7950 k = 0.5000 0.4181 0.1229 ( 2742 PWs) bands (ev): -8.1917 -8.1917 -8.1912 -8.1912 -5.2868 -5.2868 -5.2844 -5.2844 0.4567 0.4567 0.4619 0.4619 3.0447 3.0447 3.0510 3.0510 4.9868 4.9868 4.9881 4.9881 5.8960 5.8960 5.9006 5.9006 6.2671 6.2671 6.2769 6.2769 8.3508 8.3508 8.3632 8.3632 9.8225 9.8225 9.8671 9.8671 9.8999 9.8999 9.9885 9.9885 10.5495 10.5495 10.6074 10.6074 11.1150 11.1150 11.1781 11.1781 11.3388 11.3388 11.3888 11.3888 15.2381 15.2381 15.2540 15.2540 15.6168 15.6168 15.6393 15.6393 17.7897 17.7897 k = 0.5000 0.4181 0.1075 ( 2738 PWs) bands (ev): -8.1948 -8.1948 -8.1944 -8.1944 -5.2813 -5.2813 -5.2791 -5.2791 0.4541 0.4541 0.4587 0.4587 3.0548 3.0548 3.0604 3.0604 5.0041 5.0041 5.0052 5.0052 5.8963 5.8963 5.9013 5.9013 6.2251 6.2251 6.2345 6.2345 8.3680 8.3680 8.3794 8.3794 9.8226 9.8226 9.8658 9.8658 9.8967 9.8967 9.9803 9.9803 10.5514 10.5514 10.6035 10.6035 11.1253 11.1253 11.1886 11.1886 11.3273 11.3273 11.3782 11.3782 15.2488 15.2488 15.2662 15.2662 15.5870 15.5870 15.6101 15.6101 17.7822 17.7822 k = 0.5000 0.4181 0.0922 ( 2734 PWs) bands (ev): -8.1976 -8.1976 -8.1972 -8.1972 -5.2763 -5.2763 -5.2745 -5.2745 0.4516 0.4516 0.4556 0.4556 3.0640 3.0640 3.0688 3.0688 5.0202 5.0202 5.0211 5.0211 5.8988 5.8988 5.9041 5.9041 6.1850 6.1850 6.1942 6.1942 8.3835 8.3835 8.3937 8.3937 9.8232 9.8232 9.8631 9.8631 9.8964 9.8964 9.9724 9.9724 10.5534 10.5534 10.5992 10.5992 11.1359 11.1359 11.1984 11.1984 11.3162 11.3162 11.3674 11.3675 15.2606 15.2606 15.2790 15.2790 15.5594 15.5594 15.5828 15.5828 17.7733 17.7733 k = 0.5000 0.4181 0.0768 ( 2734 PWs) bands (ev): -8.1999 -8.1999 -8.1996 -8.1996 -5.2720 -5.2720 -5.2704 -5.2704 0.4493 0.4493 0.4527 0.4527 3.0721 3.0721 3.0761 3.0761 5.0347 5.0347 5.0354 5.0354 5.9036 5.9036 5.9092 5.9092 6.1474 6.1474 6.1562 6.1562 8.3970 8.3970 8.4059 8.4059 9.8242 9.8243 9.8590 9.8590 9.8986 9.8986 9.9645 9.9645 10.5556 10.5556 10.5946 10.5947 11.1468 11.1468 11.2070 11.2070 11.3062 11.3062 11.3565 11.3566 15.2731 15.2731 15.2920 15.2920 15.5343 15.5343 15.5574 15.5574 17.7640 17.7640 k = 0.5000 0.4181 0.0614 ( 2732 PWs) bands (ev): -8.2018 -8.2018 -8.2015 -8.2015 -5.2684 -5.2684 -5.2671 -5.2671 0.4474 0.4474 0.4501 0.4501 3.0790 3.0790 3.0822 3.0822 5.0473 5.0473 5.0478 5.0478 5.9107 5.9107 5.9165 5.9165 6.1127 6.1127 6.1210 6.1210 8.4085 8.4085 8.4159 8.4159 9.8258 9.8258 9.8544 9.8544 9.9025 9.9025 9.9567 9.9567 10.5582 10.5582 10.5900 10.5900 11.1579 11.1579 11.2134 11.2134 11.2984 11.2984 11.3456 11.3457 15.2861 15.2861 15.3047 15.3047 15.5122 15.5122 15.5341 15.5341 17.7553 17.7553 k = 0.5000 0.4181 0.0461 ( 2724 PWs) bands (ev): -8.2033 -8.2033 -8.2031 -8.2031 -5.2655 -5.2655 -5.2646 -5.2646 0.4459 0.4459 0.4479 0.4479 3.0845 3.0845 3.0869 3.0869 5.0575 5.0575 5.0578 5.0578 5.9200 5.9200 5.9258 5.9258 6.0817 6.0817 6.0893 6.0893 8.4179 8.4179 8.4235 8.4235 9.8279 9.8279 9.8496 9.8496 9.9077 9.9077 9.9491 9.9491 10.5612 10.5612 10.5854 10.5854 11.1691 11.1691 11.2163 11.2163 11.2940 11.2940 11.3349 11.3349 15.2990 15.2990 15.3160 15.3160 15.4937 15.4937 15.5132 15.5132 17.7478 17.7478 k = 0.5000 0.4181 0.0307 ( 2724 PWs) bands (ev): -8.2044 -8.2044 -8.2042 -8.2042 -5.2634 -5.2634 -5.2628 -5.2628 0.4449 0.4449 0.4462 0.4462 3.0886 3.0886 3.0902 3.0903 5.0650 5.0650 5.0653 5.0653 5.9309 5.9309 5.9361 5.9361 6.0556 6.0556 6.0621 6.0621 8.4249 8.4249 8.4287 8.4287 9.8303 9.8304 9.8450 9.8450 9.9136 9.9136 9.9415 9.9415 10.5644 10.5644 10.5807 10.5807 11.1802 11.1802 11.2149 11.2149 11.2940 11.2940 11.3244 11.3244 15.3111 15.3111 15.3247 15.3247 15.4802 15.4802 15.4955 15.4955 17.7422 17.7422 k = 0.5000 0.4181 0.0154 ( 2724 PWs) bands (ev): -8.2050 -8.2050 -8.2049 -8.2049 -5.2621 -5.2621 -5.2617 -5.2617 0.4444 0.4444 0.4450 0.4450 3.0913 3.0913 3.0921 3.0921 5.0697 5.0697 5.0698 5.0698 5.9414 5.9414 5.9450 5.9450 6.0373 6.0373 6.0415 6.0415 8.4296 8.4296 8.4315 8.4315 9.8333 9.8333 9.8407 9.8407 9.9201 9.9201 9.9341 9.9341 10.5680 10.5681 10.5762 10.5763 11.1910 11.1910 11.2093 11.2093 11.2982 11.2982 11.3144 11.3144 15.3212 15.3212 15.3289 15.3289 15.4733 15.4733 15.4818 15.4818 17.7387 17.7387 k = 0.5000 0.4181 0.0000 ( 2724 PWs) bands (ev): -8.2052 -8.2052 -8.2052 -8.2052 -5.2615 -5.2615 -5.2615 -5.2615 0.4444 0.4444 0.4444 0.4444 3.0924 3.0924 3.0924 3.0924 5.0713 5.0713 5.0713 5.0713 5.9475 5.9475 5.9475 5.9475 6.0318 6.0318 6.0318 6.0318 8.4318 8.4318 8.4318 8.4318 9.8368 9.8368 9.8368 9.8368 9.9270 9.9270 9.9270 9.9270 10.5720 10.5720 10.5720 10.5720 11.2010 11.2010 11.2010 11.2010 11.3054 11.3054 11.3054 11.3054 15.3277 15.3277 15.3277 15.3277 15.4739 15.4739 15.4739 15.4739 17.7378 17.7378 k = 0.0000 0.0000 0.7795 ( 2720 PWs) bands (ev): -8.0225 -8.0225 -8.0221 -8.0221 -5.4683 -5.4683 -5.4647 -5.4647 0.0048 0.0048 0.0049 0.0049 2.9197 2.9197 2.9313 2.9313 4.6887 4.6887 4.6907 4.6907 6.2494 6.2494 6.2507 6.2507 7.7108 7.7108 7.7368 7.7368 7.8273 7.8273 7.8410 7.8410 10.0129 10.0129 10.1090 10.1090 10.2338 10.2338 10.2376 10.2376 10.3406 10.3406 10.3656 10.3656 11.0495 11.0495 11.0656 11.0656 11.4831 11.4831 11.5726 11.5726 15.5552 15.5552 15.5568 15.5568 16.0885 16.0885 16.1002 16.1002 17.4860 17.4860 k = 0.0119 0.0100 0.7795 ( 2720 PWs) bands (ev): -8.0225 -8.0225 -8.0221 -8.0220 -5.4685 -5.4681 -5.4648 -5.4647 0.0051 0.0052 0.0058 0.0059 2.9168 2.9177 2.9286 2.9290 4.6910 4.6914 4.6927 4.6937 6.2491 6.2497 6.2507 6.2509 7.7094 7.7107 7.7354 7.7365 7.8266 7.8287 7.8400 7.8425 10.0126 10.0137 10.1085 10.1098 10.2300 10.2366 10.2373 10.2386 10.3395 10.3418 10.3651 10.3660 11.0490 11.0497 11.0615 11.0689 11.4803 11.4851 11.5703 11.5736 15.5554 15.5563 15.5574 15.5575 16.0878 16.0884 16.0994 16.1000 17.4860 17.4863 k = 0.0238 0.0199 0.7795 ( 2720 PWs) bands (ev): -8.0225 -8.0224 -8.0221 -8.0219 -5.4689 -5.4681 -5.4650 -5.4648 0.0067 0.0068 0.0081 0.0082 2.9089 2.9108 2.9210 2.9218 4.6984 4.6991 4.6998 4.7017 6.2490 6.2501 6.2508 6.2511 7.7067 7.7092 7.7323 7.7345 7.8268 7.8309 7.8395 7.8445 10.0127 10.0151 10.1082 10.1110 10.2261 10.2354 10.2394 10.2405 10.3384 10.3431 10.3644 10.3662 11.0482 11.0496 11.0568 11.0716 11.4765 11.4862 11.5669 11.5736 15.5568 15.5587 15.5594 15.5595 16.0860 16.0872 16.0977 16.0990 17.4862 17.4868 k = 0.0357 0.0299 0.7795 ( 2728 PWs) bands (ev): -8.0225 -8.0223 -8.0221 -8.0218 -5.4694 -5.4682 -5.4653 -5.4651 0.0095 0.0096 0.0115 0.0116 2.8964 2.8992 2.9087 2.9098 4.7105 4.7115 4.7116 4.7144 6.2490 6.2506 6.2509 6.2514 7.7026 7.7062 7.7277 7.7307 7.8278 7.8336 7.8396 7.8469 10.0133 10.0168 10.1081 10.1124 10.2220 10.2341 10.2402 10.2436 10.3374 10.3444 10.3636 10.3663 11.0471 11.0491 11.0513 11.0735 11.4720 11.4864 11.5623 11.5723 15.5596 15.5624 15.5627 15.5628 16.0832 16.0850 16.0951 16.0969 17.4866 17.4876 k = 0.0476 0.0398 0.7795 ( 2742 PWs) bands (ev): -8.0224 -8.0222 -8.0220 -8.0217 -5.4700 -5.4684 -5.4658 -5.4655 0.0134 0.0135 0.0162 0.0163 2.8797 2.8834 2.8922 2.8937 4.7269 4.7278 4.7283 4.7315 6.2491 6.2512 6.2512 6.2518 7.6973 7.7019 7.7220 7.7253 7.8294 7.8366 7.8402 7.8495 10.0144 10.0190 10.1081 10.1141 10.2176 10.2327 10.2408 10.2463 10.3364 10.3457 10.3626 10.3661 11.0452 11.0456 11.0483 11.0747 11.4667 11.4857 11.5566 11.5701 15.5637 15.5673 15.5674 15.5675 16.0794 16.0818 16.0914 16.0938 17.4872 17.4886 k = 0.0595 0.0498 0.7795 ( 2736 PWs) bands (ev): -8.0223 -8.0221 -8.0219 -8.0216 -5.4707 -5.4687 -5.4663 -5.4659 0.0185 0.0186 0.0219 0.0221 2.8593 2.8639 2.8720 2.8737 4.7471 4.7478 4.7489 4.7523 6.2493 6.2515 6.2519 6.2523 7.6911 7.6965 7.7153 7.7188 7.8315 7.8398 7.8412 7.8524 10.0160 10.0218 10.1083 10.1162 10.2131 10.2313 10.2416 10.2490 10.3356 10.3472 10.3616 10.3660 11.0385 11.0440 11.0473 11.0753 11.4609 11.4844 11.5500 11.5669 15.5691 15.5733 15.5735 15.5737 16.0744 16.0775 16.0867 16.0895 17.4879 17.4897 k = 0.0714 0.0597 0.7795 ( 2732 PWs) bands (ev): -8.0222 -8.0219 -8.0218 -8.0214 -5.4714 -5.4691 -5.4669 -5.4665 0.0246 0.0247 0.0286 0.0288 2.8357 2.8412 2.8487 2.8507 4.7705 4.7710 4.7727 4.7763 6.2496 6.2520 6.2527 6.2528 7.6841 7.6901 7.7078 7.7112 7.8338 7.8425 7.8430 7.8553 10.0181 10.0249 10.1085 10.1186 10.2086 10.2298 10.2425 10.2515 10.3349 10.3488 10.3605 10.3657 11.0311 11.0421 11.0460 11.0752 11.4547 11.4824 11.5425 11.5629 15.5758 15.5807 15.5810 15.5814 16.0682 16.0719 16.0808 16.0841 17.4885 17.4909 k = 0.0833 0.0697 0.7795 ( 2736 PWs) bands (ev): -8.0221 -8.0218 -8.0217 -8.0213 -5.4722 -5.4696 -5.4676 -5.4671 0.0315 0.0317 0.0362 0.0365 2.8097 2.8161 2.8229 2.8251 4.7963 4.7967 4.7990 4.8027 6.2500 6.2525 6.2534 6.2536 7.6764 7.6828 7.6996 7.7027 7.8363 7.8439 7.8461 7.8582 10.0205 10.0283 10.1086 10.1213 10.2038 10.2282 10.2433 10.2538 10.3342 10.3504 10.3592 10.3652 11.0232 11.0399 11.0445 11.0743 11.4482 11.4799 11.5342 11.5581 15.5839 15.5894 15.5898 15.5905 16.0607 16.0651 16.0737 16.0773 17.4891 17.4921 k = 0.0952 0.0796 0.7795 ( 2736 PWs) bands (ev): -8.0220 -8.0216 -8.0216 -8.0211 -5.4731 -5.4701 -5.4684 -5.4678 0.0392 0.0394 0.0445 0.0448 2.7820 2.7891 2.7953 2.7977 4.8240 4.8243 4.8271 4.8309 6.2505 6.2531 6.2541 6.2546 7.6681 7.6749 7.6910 7.6936 7.8388 7.8455 7.8492 7.8611 10.0234 10.0322 10.1086 10.1243 10.1990 10.2265 10.2443 10.2559 10.3337 10.3522 10.3579 10.3647 11.0148 11.0376 11.0428 11.0728 11.4417 11.4769 11.5252 11.5527 15.5934 15.5995 15.6001 15.6009 16.0519 16.0569 16.0652 16.0691 17.4896 17.4932 k = 0.1071 0.0896 0.7795 ( 2734 PWs) bands (ev): -8.0218 -8.0215 -8.0214 -8.0209 -5.4740 -5.4707 -5.4692 -5.4686 0.0475 0.0477 0.0534 0.0537 2.7531 2.7611 2.7667 2.7692 4.8528 4.8530 4.8564 4.8602 6.2512 6.2538 6.2548 6.2556 7.6594 7.6666 7.6821 7.6841 7.8413 7.8471 7.8520 7.8639 10.0266 10.0362 10.1084 10.1275 10.1942 10.2246 10.2455 10.2578 10.3333 10.3542 10.3566 10.3641 11.0060 11.0351 11.0409 11.0706 11.4352 11.4737 11.5158 11.5470 15.6043 15.6110 15.6117 15.6127 16.0417 16.0473 16.0554 16.0594 17.4900 17.4943 k = 0.1190 0.0995 0.7795 ( 2734 PWs) bands (ev): -8.0217 -8.0214 -8.0212 -8.0207 -5.4750 -5.4713 -5.4700 -5.4694 0.0562 0.0564 0.0626 0.0631 2.7238 2.7326 2.7376 2.7402 4.8821 4.8821 4.8861 4.8899 6.2519 6.2546 6.2556 6.2567 7.6505 7.6581 7.6731 7.6743 7.8436 7.8487 7.8547 7.8665 10.0302 10.0406 10.1080 10.1309 10.1894 10.2226 10.2467 10.2596 10.3330 10.3551 10.3563 10.3634 10.9968 11.0326 11.0388 11.0678 11.4291 11.4702 11.5061 11.5409 15.6165 15.6239 15.6247 15.6258 16.0300 16.0363 16.0442 16.0483 17.4902 17.4952 k = 0.1310 0.1095 0.7795 ( 2734 PWs) bands (ev): -8.0215 -8.0212 -8.0210 -8.0205 -5.4759 -5.4719 -5.4708 -5.4702 0.0651 0.0653 0.0721 0.0726 2.6947 2.7042 2.7087 2.7114 4.9111 4.9111 4.9157 4.9194 6.2527 6.2554 6.2564 6.2579 7.6415 7.6495 7.6640 7.6645 7.8459 7.8503 7.8572 7.8689 10.0340 10.0450 10.1072 10.1346 10.1846 10.2205 10.2482 10.2612 10.3329 10.3537 10.3585 10.3626 10.9875 11.0300 11.0366 11.0643 11.4235 11.4668 11.4962 11.5348 15.6300 15.6380 15.6391 15.6402 16.0169 16.0238 16.0315 16.0356 17.4903 17.4960 k = 0.1429 0.1195 0.7795 ( 2744 PWs) bands (ev): -8.0213 -8.0211 -8.0208 -8.0203 -5.4768 -5.4726 -5.4717 -5.4710 0.0740 0.0742 0.0815 0.0821 2.6664 2.6766 2.6806 2.6833 4.9393 4.9394 4.9444 4.9480 6.2535 6.2563 6.2572 6.2590 7.6327 7.6409 7.6547 7.6551 7.8479 7.8517 7.8593 7.8711 10.0380 10.0495 10.1060 10.1383 10.1798 10.2181 10.2497 10.2626 10.3329 10.3521 10.3608 10.3618 10.9781 11.0274 11.0343 11.0602 11.4185 11.4633 11.4862 11.5287 15.6449 15.6535 15.6547 15.6559 16.0024 16.0099 16.0174 16.0214 17.4903 17.4967 k = 0.1548 0.1294 0.7795 ( 2740 PWs) bands (ev): -8.0212 -8.0210 -8.0206 -8.0201 -5.4777 -5.4732 -5.4725 -5.4718 0.0828 0.0829 0.0907 0.0913 2.6395 2.6503 2.6539 2.6566 4.9661 4.9663 4.9718 4.9752 6.2545 6.2572 6.2580 6.2602 7.6241 7.6328 7.6452 7.6465 7.8498 7.8531 7.8613 7.8732 10.0424 10.0542 10.1045 10.1423 10.1753 10.2156 10.2515 10.2639 10.3331 10.3507 10.3609 10.3632 10.9689 11.0251 11.0321 11.0558 11.4143 11.4600 11.4764 11.5228 15.6609 15.6701 15.6716 15.6728 15.9866 15.9945 16.0019 16.0057 17.4902 17.4973 k = 0.1667 0.1394 0.7795 ( 2740 PWs) bands (ev): -8.0210 -8.0208 -8.0205 -8.0200 -5.4785 -5.4737 -5.4732 -5.4725 0.0911 0.0913 0.0995 0.1002 2.6144 2.6258 2.6289 2.6317 4.9911 4.9913 4.9973 5.0004 6.2554 6.2581 6.2587 6.2614 7.6160 7.6251 7.6362 7.6385 7.8515 7.8542 7.8631 7.8749 10.0469 10.0587 10.1026 10.1463 10.1709 10.2130 10.2534 10.2649 10.3335 10.3492 10.3602 10.3657 10.9600 11.0229 11.0299 11.0511 11.4110 11.4569 11.4669 11.5173 15.6781 15.6879 15.6896 15.6908 15.9695 15.9779 15.9850 15.9887 17.4901 17.4978 k = 0.1786 0.1493 0.7795 ( 2734 PWs) bands (ev): -8.0209 -8.0207 -8.0203 -8.0198 -5.4792 -5.4742 -5.4739 -5.4732 0.0989 0.0990 0.1076 0.1084 2.5916 2.6037 2.6063 2.6091 5.0137 5.0140 5.0205 5.0233 6.2564 6.2590 6.2594 6.2625 7.6086 7.6182 7.6278 7.6311 7.8530 7.8553 7.8646 7.8765 10.0515 10.0631 10.1004 10.1503 10.1668 10.2103 10.2553 10.2657 10.3341 10.3478 10.3594 10.3682 10.9518 11.0211 11.0279 11.0463 11.4087 11.4541 11.4577 11.5123 15.6964 15.7067 15.7087 15.7099 15.9512 15.9600 15.9670 15.9704 17.4899 17.4982 k = 0.1905 0.1593 0.7795 ( 2734 PWs) bands (ev): -8.0208 -8.0206 -8.0202 -8.0197 -5.4799 -5.4747 -5.4745 -5.4738 0.1058 0.1059 0.1149 0.1157 2.5716 2.5842 2.5864 2.5893 5.0335 5.0339 5.0409 5.0433 6.2573 6.2598 6.2599 6.2635 7.6019 7.6121 7.6202 7.6245 7.8543 7.8561 7.8659 7.8779 10.0562 10.0672 10.0976 10.1543 10.1630 10.2075 10.2572 10.2663 10.3348 10.3465 10.3588 10.3704 10.9443 11.0198 11.0260 11.0414 11.4074 11.4491 11.4517 11.5078 15.7156 15.7264 15.7286 15.7298 15.9320 15.9409 15.9478 15.9509 17.4898 17.4982 k = 0.2024 0.1692 0.7795 ( 2738 PWs) bands (ev): -8.0207 -8.0205 -8.0201 -8.0196 -5.4805 -5.4751 -5.4750 -5.4744 0.1118 0.1119 0.1211 0.1220 2.5547 2.5678 2.5695 2.5725 5.0502 5.0506 5.0581 5.0601 6.2582 6.2604 6.2605 6.2644 7.5962 7.6070 7.6136 7.6188 7.8553 7.8568 7.8669 7.8789 10.0609 10.0708 10.0945 10.1580 10.1596 10.2046 10.2590 10.2665 10.3356 10.3451 10.3581 10.3725 10.9378 11.0189 11.0243 11.0367 11.4071 11.4410 11.4496 11.5040 15.7355 15.7469 15.7493 15.7505 15.9121 15.9210 15.9277 15.9306 17.4897 17.4985 k = 0.2143 0.1792 0.7795 ( 2734 PWs) bands (ev): -8.0206 -8.0205 -8.0200 -8.0195 -5.4809 -5.4754 -5.4753 -5.4748 0.1166 0.1167 0.1262 0.1271 2.5412 2.5548 2.5561 2.5592 5.0636 5.0640 5.0719 5.0734 6.2590 6.2607 6.2611 6.2651 7.5917 7.6031 7.6081 7.6143 7.8562 7.8573 7.8677 7.8798 10.0656 10.0739 10.0912 10.1568 10.1614 10.2020 10.2608 10.2665 10.3366 10.3438 10.3577 10.3742 10.9326 11.0187 11.0230 11.0323 11.4079 11.4337 11.4480 11.5009 15.7560 15.7680 15.7703 15.7717 15.8916 15.9003 15.9070 15.9096 17.4896 17.4986 k = 0.2262 0.1891 0.7795 ( 2734 PWs) bands (ev): -8.0205 -8.0204 -8.0199 -8.0194 -5.4812 -5.4757 -5.4755 -5.4752 0.1202 0.1202 0.1299 0.1308 2.5314 2.5453 2.5462 2.5494 5.0733 5.0737 5.0820 5.0830 6.2597 6.2608 6.2616 6.2657 7.5883 7.6005 7.6038 7.6110 7.8569 7.8576 7.8683 7.8804 10.0703 10.0763 10.0874 10.1546 10.1643 10.1996 10.2623 10.2662 10.3377 10.3425 10.3573 10.3756 10.9287 11.0192 11.0220 11.0284 11.4098 11.4271 11.4468 11.4987 15.7767 15.7895 15.7912 15.7931 15.8714 15.8791 15.8859 15.8884 17.4896 17.4986 k = 0.2381 0.1991 0.7795 ( 2734 PWs) bands (ev): -8.0204 -8.0204 -8.0199 -8.0194 -5.4814 -5.4759 -5.4756 -5.4754 0.1223 0.1224 0.1321 0.1331 2.5255 2.5397 2.5401 2.5435 5.0791 5.0796 5.0882 5.0888 6.2602 6.2608 6.2618 6.2660 7.5863 7.5992 7.6009 7.6090 7.8574 7.8578 7.8686 7.8808 10.0748 10.0778 10.0835 10.1532 10.1662 10.1980 10.2637 10.2656 10.3388 10.3412 10.3571 10.3764 10.9263 11.0204 11.0214 11.0251 11.4127 11.4214 11.4461 11.4974 15.7968 15.8094 15.8109 15.8138 15.8538 15.8579 15.8653 15.8677 17.4895 17.4985 k = 0.2500 0.2090 0.7795 ( 2736 PWs) bands (ev): -8.0204 -8.0204 -8.0198 -8.0194 -5.4815 -5.4759 -5.4756 -5.4756 0.1231 0.1231 0.1329 0.1338 2.5235 2.5380 2.5380 2.5415 5.0811 5.0816 5.0905 5.0905 6.2606 6.2606 6.2619 6.2661 7.5856 7.5993 7.5993 7.6083 7.8577 7.8577 7.8687 7.8809 10.0783 10.0792 10.0792 10.1528 10.1669 10.1974 10.2648 10.2648 10.3400 10.3400 10.3570 10.3766 10.9254 11.0212 11.0223 11.0224 11.4165 11.4165 11.4458 11.4969 15.8126 15.8126 15.8265 15.8269 15.8423 15.8512 15.8512 15.8523 17.4895 17.4984 Writing output data file CuPN2.save init_run : 4.05s CPU 12.42s WALL ( 1 calls) electrons : 953.54s CPU 963.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.42s CPU 2.02s WALL ( 1 calls) Called by electrons: c_bands : 953.51s CPU 963.27s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.93s WALL ( 1 calls) v_h : 0.06s CPU 0.06s WALL ( 1 calls) v_xc : 0.04s CPU 0.61s WALL ( 1 calls) newd : 0.44s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 355 calls) cegterg : 878.27s CPU 884.87s WALL ( 841 calls) Called by sum_band: Called by *egterg: h_psi : 333.84s CPU 343.24s WALL ( 14697 calls) s_psi : 45.99s CPU 46.85s WALL ( 14697 calls) g_psi : 0.57s CPU 0.58s WALL ( 13501 calls) cdiaghg : 393.58s CPU 391.11s WALL ( 13856 calls) cegterg:over : 69.95s CPU 67.24s WALL ( 13501 calls) cegterg:upda : 10.70s CPU 13.82s WALL ( 13501 calls) cegterg:last : 10.35s CPU 11.14s WALL ( 2240 calls) Called by h_psi: h_psi:vloc : 243.85s CPU 251.67s WALL ( 14697 calls) h_psi:vnl : 89.80s CPU 90.96s WALL ( 14697 calls) add_vuspsi : 31.37s CPU 35.54s WALL ( 14697 calls) General routines calbec : 58.37s CPU 55.31s WALL ( 14697 calls) fft : 0.65s CPU 1.35s WALL ( 19 calls) ffts : 0.14s CPU 0.57s WALL ( 4 calls) fftw : 231.61s CPU 236.54s WALL ( 1572240 calls) interpolate : 0.15s CPU 0.66s WALL ( 4 calls) davcio : 0.03s CPU 2.30s WALL ( 710 calls) Parallel routines fft_scatter : 145.73s CPU 151.36s WALL ( 1572263 calls) PWSCF : 16m57.24s CPU 18m42.72s WALL This run was terminated on: 22:18:49 16Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=