Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:19:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Y.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 13 8 2 358 164 27 Max 14 9 3 363 176 35 Sum 495 299 93 12981 6121 1109 bravais-lattice index = 14 lattice parameter (alat) = 5.1905 a.u. unit-cell volume = 185.4596 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 39.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.190459 celldm(2)= 1.000000 celldm(3)= 1.547217 celldm(4)= 0.208422 celldm(5)= 0.208422 celldm(6)= 0.467964 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.467964 0.883748 0.000000 ) a(3) = ( 0.322474 0.194136 1.500734 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.529522 -0.146378 ) b(2) = ( 0.000000 1.131545 -0.146378 ) b(3) = ( 0.000000 0.000000 0.666340 ) PseudoPot. # 1 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 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 1223 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 Y 11.00 88.90590 Y( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 544 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018382 k( 2) = ( 0.0072464 0.0043625 -0.0021214), wk = 0.0018382 k( 3) = ( 0.0144928 0.0087250 -0.0042428), wk = 0.0018382 k( 4) = ( 0.0217391 0.0130875 -0.0063642), wk = 0.0018382 k( 5) = ( 0.0289855 0.0174499 -0.0084857), wk = 0.0018382 k( 6) = ( 0.0362319 0.0218124 -0.0106071), wk = 0.0018382 k( 7) = ( 0.0434783 0.0261749 -0.0127285), wk = 0.0018382 k( 8) = ( 0.0507246 0.0305374 -0.0148499), wk = 0.0018382 k( 9) = ( 0.0579710 0.0348999 -0.0169713), wk = 0.0018382 k( 10) = ( 0.0652174 0.0392624 -0.0190927), wk = 0.0018382 k( 11) = ( 0.0724638 0.0436248 -0.0212142), wk = 0.0018382 k( 12) = ( 0.0797101 0.0479873 -0.0233356), wk = 0.0018382 k( 13) = ( 0.0869565 0.0523498 -0.0254570), wk = 0.0018382 k( 14) = ( 0.0942029 0.0567123 -0.0275784), wk = 0.0018382 k( 15) = ( 0.1014493 0.0610748 -0.0296998), wk = 0.0018382 k( 16) = ( 0.1086957 0.0654373 -0.0318212), wk = 0.0018382 k( 17) = ( 0.1159420 0.0697997 -0.0339427), wk = 0.0018382 k( 18) = ( 0.1231884 0.0741622 -0.0360641), wk = 0.0018382 k( 19) = ( 0.1304348 0.0785247 -0.0381855), wk = 0.0018382 k( 20) = ( 0.1376812 0.0828872 -0.0403069), wk = 0.0018382 k( 21) = ( 0.1449275 0.0872497 -0.0424283), wk = 0.0018382 k( 22) = ( 0.1521739 0.0916122 -0.0445497), wk = 0.0018382 k( 23) = ( 0.1594203 0.0959747 -0.0466712), wk = 0.0018382 k( 24) = ( 0.1666667 0.1003371 -0.0487926), wk = 0.0018382 k( 25) = ( 0.1739130 0.1046996 -0.0509140), wk = 0.0018382 k( 26) = ( 0.1811594 0.1090621 -0.0530354), wk = 0.0018382 k( 27) = ( 0.1884058 0.1134246 -0.0551568), wk = 0.0018382 k( 28) = ( 0.1956522 0.1177871 -0.0572782), wk = 0.0018382 k( 29) = ( 0.2028986 0.1221496 -0.0593996), wk = 0.0018382 k( 30) = ( 0.2101449 0.1265120 -0.0615211), wk = 0.0018382 k( 31) = ( 0.2173913 0.1308745 -0.0636425), wk = 0.0018382 k( 32) = ( 0.2246377 0.1352370 -0.0657639), wk = 0.0018382 k( 33) = ( 0.2318841 0.1395995 -0.0678853), wk = 0.0018382 k( 34) = ( 0.2391304 0.1439620 -0.0700067), wk = 0.0018382 k( 35) = ( 0.2463768 0.1483245 -0.0721281), wk = 0.0018382 k( 36) = ( 0.2536232 0.1526869 -0.0742496), wk = 0.0018382 k( 37) = ( 0.2608696 0.1570494 -0.0763710), wk = 0.0018382 k( 38) = ( 0.2681159 0.1614119 -0.0784924), wk = 0.0018382 k( 39) = ( 0.2753623 0.1657744 -0.0806138), wk = 0.0018382 k( 40) = ( 0.2826087 0.1701369 -0.0827352), wk = 0.0018382 k( 41) = ( 0.2898551 0.1744994 -0.0848566), wk = 0.0018382 k( 42) = ( 0.2971014 0.1788619 -0.0869781), wk = 0.0018382 k( 43) = ( 0.3043478 0.1832243 -0.0890995), wk = 0.0018382 k( 44) = ( 0.3115942 0.1875868 -0.0912209), wk = 0.0018382 k( 45) = ( 0.3188406 0.1919493 -0.0933423), wk = 0.0018382 k( 46) = ( 0.3260870 0.1963118 -0.0954637), wk = 0.0018382 k( 47) = ( 0.3333333 0.2006743 -0.0975851), wk = 0.0018382 k( 48) = ( 0.3405797 0.2050368 -0.0997066), wk = 0.0018382 k( 49) = ( 0.3478261 0.2093992 -0.1018280), wk = 0.0018382 k( 50) = ( 0.3550725 0.2137617 -0.1039494), wk = 0.0018382 k( 51) = ( 0.3623188 0.2181242 -0.1060708), wk = 0.0018382 k( 52) = ( 0.3695652 0.2224867 -0.1081922), wk = 0.0018382 k( 53) = ( 0.3768116 0.2268492 -0.1103136), wk = 0.0018382 k( 54) = ( 0.3840580 0.2312117 -0.1124350), wk = 0.0018382 k( 55) = ( 0.3913044 0.2355741 -0.1145565), wk = 0.0018382 k( 56) = ( 0.3985507 0.2399366 -0.1166779), wk = 0.0018382 k( 57) = ( 0.4057971 0.2442991 -0.1187993), wk = 0.0018382 k( 58) = ( 0.4130435 0.2486616 -0.1209207), wk = 0.0018382 k( 59) = ( 0.4202899 0.2530241 -0.1230421), wk = 0.0018382 k( 60) = ( 0.4275362 0.2573866 -0.1251635), wk = 0.0018382 k( 61) = ( 0.4347826 0.2617491 -0.1272850), wk = 0.0018382 k( 62) = ( 0.4420290 0.2661115 -0.1294064), wk = 0.0018382 k( 63) = ( 0.4492754 0.2704740 -0.1315278), wk = 0.0018382 k( 64) = ( 0.4565217 0.2748365 -0.1336492), wk = 0.0018382 k( 65) = ( 0.4637681 0.2791990 -0.1357706), wk = 0.0018382 k( 66) = ( 0.4710145 0.2835615 -0.1378920), wk = 0.0018382 k( 67) = ( 0.4782609 0.2879240 -0.1400135), wk = 0.0018382 k( 68) = ( 0.4855073 0.2922864 -0.1421349), wk = 0.0018382 k( 69) = ( 0.4927536 0.2966489 -0.1442563), wk = 0.0018382 k( 70) = ( 0.5000000 0.3010114 -0.1463777), wk = 0.0018382 k( 71) = ( 0.5000000 0.3010114 -0.1463777), wk = 0.0018382 k( 72) = ( 0.5017451 0.3020620 -0.1382563), wk = 0.0018382 k( 73) = ( 0.5034902 0.3031126 -0.1301349), wk = 0.0018382 k( 74) = ( 0.5052353 0.3041632 -0.1220135), wk = 0.0018382 k( 75) = ( 0.5069804 0.3052138 -0.1138920), wk = 0.0018382 k( 76) = ( 0.5087255 0.3062644 -0.1057706), wk = 0.0018382 k( 77) = ( 0.5104706 0.3073150 -0.0976492), wk = 0.0018382 k( 78) = ( 0.5122157 0.3083656 -0.0895278), wk = 0.0018382 k( 79) = ( 0.5139609 0.3094162 -0.0814064), wk = 0.0018382 k( 80) = ( 0.5157060 0.3104668 -0.0732850), wk = 0.0018382 k( 81) = ( 0.5174511 0.3115173 -0.0651636), wk = 0.0018382 k( 82) = ( 0.5191962 0.3125679 -0.0570421), wk = 0.0018382 k( 83) = ( 0.5209413 0.3136185 -0.0489207), wk = 0.0018382 k( 84) = ( 0.5226864 0.3146691 -0.0407993), wk = 0.0018382 k( 85) = ( 0.5244315 0.3157197 -0.0326779), wk = 0.0018382 k( 86) = ( 0.5261766 0.3167703 -0.0245565), wk = 0.0018382 k( 87) = ( 0.5279217 0.3178209 -0.0164351), wk = 0.0018382 k( 88) = ( 0.5296668 0.3188715 -0.0083137), wk = 0.0018382 k( 89) = ( 0.5314119 0.3199221 -0.0001922), wk = 0.0018382 k( 90) = ( 0.5331570 0.3209727 0.0079292), wk = 0.0018382 k( 91) = ( 0.5349021 0.3220233 0.0160506), wk = 0.0018382 k( 92) = ( 0.5366472 0.3230739 0.0241720), wk = 0.0018382 k( 93) = ( 0.5383923 0.3241245 0.0322934), wk = 0.0018382 k( 94) = ( 0.5401375 0.3251751 0.0404148), wk = 0.0018382 k( 95) = ( 0.5401375 0.3251751 0.0404148), wk = 0.0018382 k( 96) = ( 0.5379076 0.3238326 0.0485469), wk = 0.0018382 k( 97) = ( 0.5356777 0.3224902 0.0566790), wk = 0.0018382 k( 98) = ( 0.5334479 0.3211478 0.0648111), wk = 0.0018382 k( 99) = ( 0.5312180 0.3198054 0.0729432), wk = 0.0018382 k( 100) = ( 0.5289882 0.3184629 0.0810753), wk = 0.0018382 k( 101) = ( 0.5267583 0.3171205 0.0892074), wk = 0.0018382 k( 102) = ( 0.5245284 0.3157781 0.0973395), wk = 0.0018382 k( 103) = ( 0.5222986 0.3144357 0.1054716), wk = 0.0018382 k( 104) = ( 0.5200687 0.3130932 0.1136037), wk = 0.0018382 k( 105) = ( 0.5178389 0.3117508 0.1217358), wk = 0.0018382 k( 106) = ( 0.5156090 0.3104084 0.1298679), wk = 0.0018382 k( 107) = ( 0.5133792 0.3090660 0.1380000), wk = 0.0018382 k( 108) = ( 0.5111493 0.3077235 0.1461321), wk = 0.0018382 k( 109) = ( 0.5089194 0.3063811 0.1542642), wk = 0.0018382 k( 110) = ( 0.5066896 0.3050387 0.1623963), wk = 0.0018382 k( 111) = ( 0.5044597 0.3036963 0.1705283), wk = 0.0018382 k( 112) = ( 0.5022299 0.3023538 0.1786604), wk = 0.0018382 k( 113) = ( 0.5000000 0.3010114 0.1867925), wk = 0.0018382 k( 114) = ( 0.5000000 0.3010114 0.1867925), wk = 0.0018382 k( 115) = ( 0.5044910 0.2935516 0.1867925), wk = 0.0018382 k( 116) = ( 0.5089820 0.2860918 0.1867925), wk = 0.0018382 k( 117) = ( 0.5134729 0.2786320 0.1867925), wk = 0.0018382 k( 118) = ( 0.5179639 0.2711722 0.1867925), wk = 0.0018382 k( 119) = ( 0.5224549 0.2637124 0.1867925), wk = 0.0018382 k( 120) = ( 0.5269459 0.2562526 0.1867925), wk = 0.0018382 k( 121) = ( 0.5314368 0.2487927 0.1867925), wk = 0.0018382 k( 122) = ( 0.5359278 0.2413329 0.1867925), wk = 0.0018382 k( 123) = ( 0.5404188 0.2338731 0.1867925), wk = 0.0018382 k( 124) = ( 0.5449098 0.2264133 0.1867925), wk = 0.0018382 k( 125) = ( 0.5494007 0.2189535 0.1867925), wk = 0.0018382 k( 126) = ( 0.5538917 0.2114937 0.1867925), wk = 0.0018382 k( 127) = ( 0.5583827 0.2040339 0.1867925), wk = 0.0018382 k( 128) = ( 0.5628737 0.1965741 0.1867925), wk = 0.0018382 k( 129) = ( 0.5673646 0.1891143 0.1867925), wk = 0.0018382 k( 130) = ( 0.5718556 0.1816545 0.1867925), wk = 0.0018382 k( 131) = ( 0.5763466 0.1741946 0.1867925), wk = 0.0018382 k( 132) = ( 0.5808376 0.1667348 0.1867925), wk = 0.0018382 k( 133) = ( 0.5853285 0.1592750 0.1867925), wk = 0.0018382 k( 134) = ( 0.5898195 0.1518152 0.1867925), wk = 0.0018382 k( 135) = ( 0.5943105 0.1443554 0.1867925), wk = 0.0018382 k( 136) = ( 0.5988015 0.1368956 0.1867925), wk = 0.0018382 k( 137) = ( 0.6032924 0.1294358 0.1867925), wk = 0.0018382 k( 138) = ( 0.6077834 0.1219760 0.1867925), wk = 0.0018382 k( 139) = ( 0.6122744 0.1145162 0.1867925), wk = 0.0018382 k( 140) = ( 0.6167654 0.1070564 0.1867925), wk = 0.0018382 k( 141) = ( 0.6212563 0.0995966 0.1867925), wk = 0.0018382 k( 142) = ( 0.6257473 0.0921367 0.1867925), wk = 0.0018382 k( 143) = ( 0.6302383 0.0846769 0.1867925), wk = 0.0018382 k( 144) = ( 0.6347293 0.0772171 0.1867925), wk = 0.0018382 k( 145) = ( 0.6392202 0.0697573 0.1867925), wk = 0.0018382 k( 146) = ( 0.6437112 0.0622975 0.1867925), wk = 0.0018382 k( 147) = ( 0.6482022 0.0548377 0.1867925), wk = 0.0018382 k( 148) = ( 0.6526932 0.0473779 0.1867925), wk = 0.0018382 k( 149) = ( 0.6571841 0.0399181 0.1867925), wk = 0.0018382 k( 150) = ( 0.6616751 0.0324583 0.1867925), wk = 0.0018382 k( 151) = ( 0.6661661 0.0249985 0.1867925), wk = 0.0018382 k( 152) = ( 0.6706571 0.0175387 0.1867925), wk = 0.0018382 k( 153) = ( 0.6751480 0.0100788 0.1867925), wk = 0.0018382 k( 154) = ( 0.6796390 0.0026190 0.1867925), wk = 0.0018382 k( 155) = ( 0.3203610 -0.5321409 0.3331702), wk = 0.0018382 k( 156) = ( 0.3159115 -0.5247501 0.3331702), wk = 0.0018382 k( 157) = ( 0.3114621 -0.5173592 0.3331702), wk = 0.0018382 k( 158) = ( 0.3070126 -0.5099684 0.3331702), wk = 0.0018382 k( 159) = ( 0.3025631 -0.5025775 0.3331702), wk = 0.0018382 k( 160) = ( 0.2981137 -0.4951867 0.3331702), wk = 0.0018382 k( 161) = ( 0.2936642 -0.4877958 0.3331702), wk = 0.0018382 k( 162) = ( 0.2892148 -0.4804050 0.3331702), wk = 0.0018382 k( 163) = ( 0.2847653 -0.4730141 0.3331702), wk = 0.0018382 k( 164) = ( 0.2803158 -0.4656233 0.3331702), wk = 0.0018382 k( 165) = ( 0.2758664 -0.4582324 0.3331702), wk = 0.0018382 k( 166) = ( 0.2714169 -0.4508416 0.3331702), wk = 0.0018382 k( 167) = ( 0.2669675 -0.4434508 0.3331702), wk = 0.0018382 k( 168) = ( 0.2625180 -0.4360599 0.3331702), wk = 0.0018382 k( 169) = ( 0.2580686 -0.4286691 0.3331702), wk = 0.0018382 k( 170) = ( 0.2536191 -0.4212782 0.3331702), wk = 0.0018382 k( 171) = ( 0.2491696 -0.4138874 0.3331702), wk = 0.0018382 k( 172) = ( 0.2447202 -0.4064965 0.3331702), wk = 0.0018382 k( 173) = ( 0.2402707 -0.3991057 0.3331702), wk = 0.0018382 k( 174) = ( 0.2358213 -0.3917148 0.3331702), wk = 0.0018382 k( 175) = ( 0.2313718 -0.3843240 0.3331702), wk = 0.0018382 k( 176) = ( 0.2269224 -0.3769332 0.3331702), wk = 0.0018382 k( 177) = ( 0.2224729 -0.3695423 0.3331702), wk = 0.0018382 k( 178) = ( 0.2180234 -0.3621515 0.3331702), wk = 0.0018382 k( 179) = ( 0.2135740 -0.3547606 0.3331702), wk = 0.0018382 k( 180) = ( 0.2091245 -0.3473698 0.3331702), wk = 0.0018382 k( 181) = ( 0.2046751 -0.3399789 0.3331702), wk = 0.0018382 k( 182) = ( 0.2002256 -0.3325881 0.3331702), wk = 0.0018382 k( 183) = ( 0.1957762 -0.3251972 0.3331702), wk = 0.0018382 k( 184) = ( 0.1913267 -0.3178064 0.3331702), wk = 0.0018382 k( 185) = ( 0.1868772 -0.3104155 0.3331702), wk = 0.0018382 k( 186) = ( 0.1824278 -0.3030247 0.3331702), wk = 0.0018382 k( 187) = ( 0.1779783 -0.2956338 0.3331702), wk = 0.0018382 k( 188) = ( 0.1735289 -0.2882430 0.3331702), wk = 0.0018382 k( 189) = ( 0.1690794 -0.2808521 0.3331702), wk = 0.0018382 k( 190) = ( 0.1646299 -0.2734613 0.3331702), wk = 0.0018382 k( 191) = ( 0.1601805 -0.2660705 0.3331702), wk = 0.0018382 k( 192) = ( 0.1557310 -0.2586796 0.3331702), wk = 0.0018382 k( 193) = ( 0.1512816 -0.2512888 0.3331702), wk = 0.0018382 k( 194) = ( 0.1468321 -0.2438979 0.3331702), wk = 0.0018382 k( 195) = ( 0.1423827 -0.2365071 0.3331702), wk = 0.0018382 k( 196) = ( 0.1379332 -0.2291162 0.3331702), wk = 0.0018382 k( 197) = ( 0.1334837 -0.2217254 0.3331702), wk = 0.0018382 k( 198) = ( 0.1290343 -0.2143345 0.3331702), wk = 0.0018382 k( 199) = ( 0.1245848 -0.2069437 0.3331702), wk = 0.0018382 k( 200) = ( 0.1201354 -0.1995529 0.3331702), wk = 0.0018382 k( 201) = ( 0.1156859 -0.1921620 0.3331702), wk = 0.0018382 k( 202) = ( 0.1112365 -0.1847712 0.3331702), wk = 0.0018382 k( 203) = ( 0.1067870 -0.1773803 0.3331702), wk = 0.0018382 k( 204) = ( 0.1023375 -0.1699895 0.3331702), wk = 0.0018382 k( 205) = ( 0.0978881 -0.1625986 0.3331702), wk = 0.0018382 k( 206) = ( 0.0934386 -0.1552078 0.3331702), wk = 0.0018382 k( 207) = ( 0.0889892 -0.1478169 0.3331702), wk = 0.0018382 k( 208) = ( 0.0845397 -0.1404261 0.3331702), wk = 0.0018382 k( 209) = ( 0.0800902 -0.1330352 0.3331702), wk = 0.0018382 k( 210) = ( 0.0756408 -0.1256444 0.3331702), wk = 0.0018382 k( 211) = ( 0.0711913 -0.1182535 0.3331702), wk = 0.0018382 k( 212) = ( 0.0667419 -0.1108627 0.3331702), wk = 0.0018382 k( 213) = ( 0.0622924 -0.1034718 0.3331702), wk = 0.0018382 k( 214) = ( 0.0578429 -0.0960810 0.3331702), wk = 0.0018382 k( 215) = ( 0.0533935 -0.0886902 0.3331702), wk = 0.0018382 k( 216) = ( 0.0489440 -0.0812993 0.3331702), wk = 0.0018382 k( 217) = ( 0.0444946 -0.0739085 0.3331702), wk = 0.0018382 k( 218) = ( 0.0400451 -0.0665176 0.3331702), wk = 0.0018382 k( 219) = ( 0.0355957 -0.0591268 0.3331702), wk = 0.0018382 k( 220) = ( 0.0311462 -0.0517359 0.3331702), wk = 0.0018382 k( 221) = ( 0.0266968 -0.0443451 0.3331702), wk = 0.0018382 k( 222) = ( 0.0222473 -0.0369542 0.3331702), wk = 0.0018382 k( 223) = ( 0.0177978 -0.0295634 0.3331702), wk = 0.0018382 k( 224) = ( 0.0133484 -0.0221725 0.3331702), wk = 0.0018382 k( 225) = ( 0.0088989 -0.0147817 0.3331702), wk = 0.0018382 k( 226) = ( 0.0044495 -0.0073908 0.3331702), wk = 0.0018382 k( 227) = ( 0.0000000 0.0000000 0.3331702), wk = 0.0018382 k( 228) = ( 0.0000000 0.0000000 0.3331702), wk = 0.0018382 k( 229) = ( 0.0074171 0.0044653 0.3331702), wk = 0.0018382 k( 230) = ( 0.0148343 0.0089306 0.3331702), wk = 0.0018382 k( 231) = ( 0.0222514 0.0133959 0.3331702), wk = 0.0018382 k( 232) = ( 0.0296685 0.0178611 0.3331702), wk = 0.0018382 k( 233) = ( 0.0370857 0.0223264 0.3331702), wk = 0.0018382 k( 234) = ( 0.0445028 0.0267917 0.3331702), wk = 0.0018382 k( 235) = ( 0.0519200 0.0312570 0.3331702), wk = 0.0018382 k( 236) = ( 0.0593371 0.0357223 0.3331702), wk = 0.0018382 k( 237) = ( 0.0667542 0.0401876 0.3331702), wk = 0.0018382 k( 238) = ( 0.0741714 0.0446529 0.3331702), wk = 0.0018382 k( 239) = ( 0.0815885 0.0491182 0.3331702), wk = 0.0018382 k( 240) = ( 0.0890057 0.0535834 0.3331702), wk = 0.0018382 k( 241) = ( 0.0964228 0.0580487 0.3331702), wk = 0.0018382 k( 242) = ( 0.1038399 0.0625140 0.3331702), wk = 0.0018382 k( 243) = ( 0.1112571 0.0669793 0.3331702), wk = 0.0018382 k( 244) = ( 0.1186742 0.0714446 0.3331702), wk = 0.0018382 k( 245) = ( 0.1260913 0.0759099 0.3331702), wk = 0.0018382 k( 246) = ( 0.1335085 0.0803752 0.3331702), wk = 0.0018382 k( 247) = ( 0.1409256 0.0848404 0.3331702), wk = 0.0018382 k( 248) = ( 0.1483428 0.0893057 0.3331702), wk = 0.0018382 k( 249) = ( 0.1557599 0.0937710 0.3331702), wk = 0.0018382 k( 250) = ( 0.1631770 0.0982363 0.3331702), wk = 0.0018382 k( 251) = ( 0.1705942 0.1027016 0.3331702), wk = 0.0018382 k( 252) = ( 0.1780113 0.1071669 0.3331702), wk = 0.0018382 k( 253) = ( 0.1854284 0.1116322 0.3331702), wk = 0.0018382 k( 254) = ( 0.1928456 0.1160974 0.3331702), wk = 0.0018382 k( 255) = ( 0.2002627 0.1205627 0.3331702), wk = 0.0018382 k( 256) = ( 0.2076799 0.1250280 0.3331702), wk = 0.0018382 k( 257) = ( 0.2150970 0.1294933 0.3331702), wk = 0.0018382 k( 258) = ( 0.2225141 0.1339586 0.3331702), wk = 0.0018382 k( 259) = ( 0.2299313 0.1384239 0.3331702), wk = 0.0018382 k( 260) = ( 0.2373484 0.1428892 0.3331702), wk = 0.0018382 k( 261) = ( 0.2447655 0.1473544 0.3331702), wk = 0.0018382 k( 262) = ( 0.2521827 0.1518197 0.3331702), wk = 0.0018382 k( 263) = ( 0.2595998 0.1562850 0.3331702), wk = 0.0018382 k( 264) = ( 0.2670170 0.1607503 0.3331702), wk = 0.0018382 k( 265) = ( 0.2744341 0.1652156 0.3331702), wk = 0.0018382 k( 266) = ( 0.2818512 0.1696809 0.3331702), wk = 0.0018382 k( 267) = ( 0.2892684 0.1741462 0.3331702), wk = 0.0018382 k( 268) = ( 0.2966855 0.1786115 0.3331702), wk = 0.0018382 k( 269) = ( 0.3041026 0.1830767 0.3331702), wk = 0.0018382 k( 270) = ( 0.3115198 0.1875420 0.3331702), wk = 0.0018382 k( 271) = ( 0.3189369 0.1920073 0.3331702), wk = 0.0018382 k( 272) = ( 0.3263541 0.1964726 0.3331702), wk = 0.0018382 k( 273) = ( 0.3337712 0.2009379 0.3331702), wk = 0.0018382 k( 274) = ( 0.3411883 0.2054032 0.3331702), wk = 0.0018382 k( 275) = ( 0.3486055 0.2098685 0.3331702), wk = 0.0018382 k( 276) = ( 0.3560226 0.2143337 0.3331702), wk = 0.0018382 k( 277) = ( 0.3634398 0.2187990 0.3331702), wk = 0.0018382 k( 278) = ( 0.3708569 0.2232643 0.3331702), wk = 0.0018382 k( 279) = ( 0.3782740 0.2277296 0.3331702), wk = 0.0018382 k( 280) = ( 0.3856912 0.2321949 0.3331702), wk = 0.0018382 k( 281) = ( 0.3931083 0.2366602 0.3331702), wk = 0.0018382 k( 282) = ( 0.4005255 0.2411255 0.3331702), wk = 0.0018382 k( 283) = ( 0.4079426 0.2455907 0.3331702), wk = 0.0018382 k( 284) = ( 0.4153597 0.2500560 0.3331702), wk = 0.0018382 k( 285) = ( 0.4227769 0.2545213 0.3331702), wk = 0.0018382 k( 286) = ( 0.4301940 0.2589866 0.3331702), wk = 0.0018382 k( 287) = ( 0.4376111 0.2634519 0.3331702), wk = 0.0018382 k( 288) = ( 0.4450283 0.2679172 0.3331702), wk = 0.0018382 k( 289) = ( 0.4524454 0.2723825 0.3331702), wk = 0.0018382 k( 290) = ( 0.4598625 0.2768477 0.3331702), wk = 0.0018382 k( 291) = ( 0.5000000 0.3010114 -0.1463777), wk = 0.0018382 k( 292) = ( 0.5043912 0.2937173 -0.1463777), wk = 0.0018382 k( 293) = ( 0.5087824 0.2864232 -0.1463777), wk = 0.0018382 k( 294) = ( 0.5131736 0.2791291 -0.1463777), wk = 0.0018382 k( 295) = ( 0.5175648 0.2718350 -0.1463777), wk = 0.0018382 k( 296) = ( 0.5219560 0.2645410 -0.1463777), wk = 0.0018382 k( 297) = ( 0.5263473 0.2572469 -0.1463777), wk = 0.0018382 k( 298) = ( 0.5307385 0.2499528 -0.1463777), wk = 0.0018382 k( 299) = ( 0.5351297 0.2426587 -0.1463777), wk = 0.0018382 k( 300) = ( 0.5395209 0.2353646 -0.1463777), wk = 0.0018382 k( 301) = ( 0.5439121 0.2280705 -0.1463777), wk = 0.0018382 k( 302) = ( 0.5483033 0.2207764 -0.1463777), wk = 0.0018382 k( 303) = ( 0.5526945 0.2134823 -0.1463777), wk = 0.0018382 k( 304) = ( 0.5570857 0.2061882 -0.1463777), wk = 0.0018382 k( 305) = ( 0.5614769 0.1988942 -0.1463777), wk = 0.0018382 k( 306) = ( 0.5658681 0.1916001 -0.1463777), wk = 0.0018382 k( 307) = ( 0.5702593 0.1843060 -0.1463777), wk = 0.0018382 k( 308) = ( 0.5746505 0.1770119 -0.1463777), wk = 0.0018382 k( 309) = ( 0.5790418 0.1697178 -0.1463777), wk = 0.0018382 k( 310) = ( 0.5834330 0.1624237 -0.1463777), wk = 0.0018382 k( 311) = ( 0.5878242 0.1551296 -0.1463777), wk = 0.0018382 k( 312) = ( 0.5922154 0.1478355 -0.1463777), wk = 0.0018382 k( 313) = ( 0.5966066 0.1405414 -0.1463777), wk = 0.0018382 k( 314) = ( 0.6009978 0.1332473 -0.1463777), wk = 0.0018382 k( 315) = ( 0.6053890 0.1259532 -0.1463777), wk = 0.0018382 k( 316) = ( 0.6097802 0.1186592 -0.1463777), wk = 0.0018382 k( 317) = ( 0.6141714 0.1113651 -0.1463777), wk = 0.0018382 k( 318) = ( 0.6185626 0.1040710 -0.1463777), wk = 0.0018382 k( 319) = ( 0.6229539 0.0967769 -0.1463777), wk = 0.0018382 k( 320) = ( 0.6273451 0.0894828 -0.1463777), wk = 0.0018382 k( 321) = ( 0.6317363 0.0821887 -0.1463777), wk = 0.0018382 k( 322) = ( 0.6361275 0.0748946 -0.1463777), wk = 0.0018382 k( 323) = ( 0.6405187 0.0676005 -0.1463777), wk = 0.0018382 k( 324) = ( 0.6449099 0.0603064 -0.1463777), wk = 0.0018382 k( 325) = ( 0.6493011 0.0530123 -0.1463777), wk = 0.0018382 k( 326) = ( 0.6536923 0.0457182 -0.1463777), wk = 0.0018382 k( 327) = ( 0.3463077 -0.5752401 0.0000000), wk = 0.0018382 k( 328) = ( 0.3418102 -0.5677695 0.0000000), wk = 0.0018382 k( 329) = ( 0.3373127 -0.5602988 0.0000000), wk = 0.0018382 k( 330) = ( 0.3328152 -0.5528282 0.0000000), wk = 0.0018382 k( 331) = ( 0.3283177 -0.5453575 0.0000000), wk = 0.0018382 k( 332) = ( 0.3238202 -0.5378869 0.0000000), wk = 0.0018382 k( 333) = ( 0.3193227 -0.5304162 0.0000000), wk = 0.0018382 k( 334) = ( 0.3148252 -0.5229456 0.0000000), wk = 0.0018382 k( 335) = ( 0.3103277 -0.5154749 0.0000000), wk = 0.0018382 k( 336) = ( 0.3058302 -0.5080043 0.0000000), wk = 0.0018382 k( 337) = ( 0.3013327 -0.5005336 0.0000000), wk = 0.0018382 k( 338) = ( 0.2968352 -0.4930630 0.0000000), wk = 0.0018382 k( 339) = ( 0.2923377 -0.4855923 0.0000000), wk = 0.0018382 k( 340) = ( 0.2878402 -0.4781217 0.0000000), wk = 0.0018382 k( 341) = ( 0.2833426 -0.4706510 0.0000000), wk = 0.0018382 k( 342) = ( 0.2788451 -0.4631804 0.0000000), wk = 0.0018382 k( 343) = ( 0.2743476 -0.4557097 0.0000000), wk = 0.0018382 k( 344) = ( 0.2698502 -0.4482391 0.0000000), wk = 0.0018382 k( 345) = ( 0.2653526 -0.4407684 0.0000000), wk = 0.0018382 k( 346) = ( 0.2608551 -0.4332978 0.0000000), wk = 0.0018382 k( 347) = ( 0.2563576 -0.4258271 0.0000000), wk = 0.0018382 k( 348) = ( 0.2518601 -0.4183565 0.0000000), wk = 0.0018382 k( 349) = ( 0.2473626 -0.4108858 0.0000000), wk = 0.0018382 k( 350) = ( 0.2428651 -0.4034152 0.0000000), wk = 0.0018382 k( 351) = ( 0.2383676 -0.3959445 0.0000000), wk = 0.0018382 k( 352) = ( 0.2338701 -0.3884739 0.0000000), wk = 0.0018382 k( 353) = ( 0.2293726 -0.3810032 0.0000000), wk = 0.0018382 k( 354) = ( 0.2248751 -0.3735326 0.0000000), wk = 0.0018382 k( 355) = ( 0.2203776 -0.3660619 0.0000000), wk = 0.0018382 k( 356) = ( 0.2158801 -0.3585913 0.0000000), wk = 0.0018382 k( 357) = ( 0.2113826 -0.3511206 0.0000000), wk = 0.0018382 k( 358) = ( 0.2068851 -0.3436499 0.0000000), wk = 0.0018382 k( 359) = ( 0.2023876 -0.3361793 0.0000000), wk = 0.0018382 k( 360) = ( 0.1978901 -0.3287087 0.0000000), wk = 0.0018382 k( 361) = ( 0.1933926 -0.3212380 0.0000000), wk = 0.0018382 k( 362) = ( 0.1888951 -0.3137673 0.0000000), wk = 0.0018382 k( 363) = ( 0.1843976 -0.3062967 0.0000000), wk = 0.0018382 k( 364) = ( 0.1799001 -0.2988260 0.0000000), wk = 0.0018382 k( 365) = ( 0.1754026 -0.2913554 0.0000000), wk = 0.0018382 k( 366) = ( 0.1709051 -0.2838847 0.0000000), wk = 0.0018382 k( 367) = ( 0.1664076 -0.2764141 0.0000000), wk = 0.0018382 k( 368) = ( 0.1619101 -0.2689434 0.0000000), wk = 0.0018382 k( 369) = ( 0.1574126 -0.2614728 0.0000000), wk = 0.0018382 k( 370) = ( 0.1529151 -0.2540021 0.0000000), wk = 0.0018382 k( 371) = ( 0.1484176 -0.2465315 0.0000000), wk = 0.0018382 k( 372) = ( 0.1439201 -0.2390608 0.0000000), wk = 0.0018382 k( 373) = ( 0.1394226 -0.2315902 0.0000000), wk = 0.0018382 k( 374) = ( 0.1349251 -0.2241195 0.0000000), wk = 0.0018382 k( 375) = ( 0.1304276 -0.2166489 0.0000000), wk = 0.0018382 k( 376) = ( 0.1259301 -0.2091782 0.0000000), wk = 0.0018382 k( 377) = ( 0.1214326 -0.2017076 0.0000000), wk = 0.0018382 k( 378) = ( 0.1169351 -0.1942369 0.0000000), wk = 0.0018382 k( 379) = ( 0.1124376 -0.1867663 0.0000000), wk = 0.0018382 k( 380) = ( 0.1079401 -0.1792956 0.0000000), wk = 0.0018382 k( 381) = ( 0.1034426 -0.1718250 0.0000000), wk = 0.0018382 k( 382) = ( 0.0989451 -0.1643543 0.0000000), wk = 0.0018382 k( 383) = ( 0.0944476 -0.1568837 0.0000000), wk = 0.0018382 k( 384) = ( 0.0899501 -0.1494130 0.0000000), wk = 0.0018382 k( 385) = ( 0.0854526 -0.1419424 0.0000000), wk = 0.0018382 k( 386) = ( 0.0809550 -0.1344717 0.0000000), wk = 0.0018382 k( 387) = ( 0.0764575 -0.1270011 0.0000000), wk = 0.0018382 k( 388) = ( 0.0719600 -0.1195304 0.0000000), wk = 0.0018382 k( 389) = ( 0.0674625 -0.1120598 0.0000000), wk = 0.0018382 k( 390) = ( 0.0629650 -0.1045891 0.0000000), wk = 0.0018382 k( 391) = ( 0.0584675 -0.0971185 0.0000000), wk = 0.0018382 k( 392) = ( 0.0539700 -0.0896478 0.0000000), wk = 0.0018382 k( 393) = ( 0.0494725 -0.0821772 0.0000000), wk = 0.0018382 k( 394) = ( 0.0449750 -0.0747065 0.0000000), wk = 0.0018382 k( 395) = ( 0.0404775 -0.0672359 0.0000000), wk = 0.0018382 k( 396) = ( 0.0359800 -0.0597652 0.0000000), wk = 0.0018382 k( 397) = ( 0.0314825 -0.0522946 0.0000000), wk = 0.0018382 k( 398) = ( 0.0269850 -0.0448239 0.0000000), wk = 0.0018382 k( 399) = ( 0.0224875 -0.0373533 0.0000000), wk = 0.0018382 k( 400) = ( 0.0179900 -0.0298826 0.0000000), wk = 0.0018382 k( 401) = ( 0.0134925 -0.0224120 0.0000000), wk = 0.0018382 k( 402) = ( 0.0089950 -0.0149413 0.0000000), wk = 0.0018382 k( 403) = ( 0.0044975 -0.0074706 0.0000000), wk = 0.0018382 k( 404) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018382 k( 405) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018382 k( 406) = ( 0.0075758 -0.0040115 -0.0011089), wk = 0.0018382 k( 407) = ( 0.0151515 -0.0080231 -0.0022178), wk = 0.0018382 k( 408) = ( 0.0227273 -0.0120346 -0.0033268), wk = 0.0018382 k( 409) = ( 0.0303030 -0.0160461 -0.0044357), wk = 0.0018382 k( 410) = ( 0.0378788 -0.0200576 -0.0055446), wk = 0.0018382 k( 411) = ( 0.0454546 -0.0240692 -0.0066535), wk = 0.0018382 k( 412) = ( 0.0530303 -0.0280807 -0.0077625), wk = 0.0018382 k( 413) = ( 0.0606061 -0.0320922 -0.0088714), wk = 0.0018382 k( 414) = ( 0.0681818 -0.0361038 -0.0099803), wk = 0.0018382 k( 415) = ( 0.0757576 -0.0401153 -0.0110892), wk = 0.0018382 k( 416) = ( 0.0833333 -0.0441268 -0.0121981), wk = 0.0018382 k( 417) = ( 0.0909091 -0.0481384 -0.0133071), wk = 0.0018382 k( 418) = ( 0.0984848 -0.0521499 -0.0144160), wk = 0.0018382 k( 419) = ( 0.1060606 -0.0561614 -0.0155249), wk = 0.0018382 k( 420) = ( 0.1136364 -0.0601729 -0.0166338), wk = 0.0018382 k( 421) = ( 0.1212121 -0.0641845 -0.0177428), wk = 0.0018382 k( 422) = ( 0.1287879 -0.0681960 -0.0188517), wk = 0.0018382 k( 423) = ( 0.1363636 -0.0722075 -0.0199606), wk = 0.0018382 k( 424) = ( 0.1439394 -0.0762191 -0.0210695), wk = 0.0018382 k( 425) = ( 0.1515151 -0.0802306 -0.0221784), wk = 0.0018382 k( 426) = ( 0.1590909 -0.0842421 -0.0232874), wk = 0.0018382 k( 427) = ( 0.1666667 -0.0882537 -0.0243963), wk = 0.0018382 k( 428) = ( 0.1742424 -0.0922652 -0.0255052), wk = 0.0018382 k( 429) = ( 0.1818182 -0.0962767 -0.0266141), wk = 0.0018382 k( 430) = ( 0.1893939 -0.1002882 -0.0277230), wk = 0.0018382 k( 431) = ( 0.1969697 -0.1042998 -0.0288320), wk = 0.0018382 k( 432) = ( 0.2045454 -0.1083113 -0.0299409), wk = 0.0018382 k( 433) = ( 0.2121212 -0.1123228 -0.0310498), wk = 0.0018382 k( 434) = ( 0.2196970 -0.1163344 -0.0321587), wk = 0.0018382 k( 435) = ( 0.2272727 -0.1203459 -0.0332677), wk = 0.0018382 k( 436) = ( 0.2348485 -0.1243574 -0.0343766), wk = 0.0018382 k( 437) = ( 0.2424242 -0.1283689 -0.0354855), wk = 0.0018382 k( 438) = ( 0.2500000 -0.1323805 -0.0365944), wk = 0.0018382 k( 439) = ( 0.2575758 -0.1363920 -0.0377033), wk = 0.0018382 k( 440) = ( 0.2651515 -0.1404035 -0.0388123), wk = 0.0018382 k( 441) = ( 0.2727273 -0.1444151 -0.0399212), wk = 0.0018382 k( 442) = ( 0.2803030 -0.1484266 -0.0410301), wk = 0.0018382 k( 443) = ( 0.2878788 -0.1524381 -0.0421390), wk = 0.0018382 k( 444) = ( 0.2954545 -0.1564497 -0.0432480), wk = 0.0018382 k( 445) = ( 0.3030303 -0.1604612 -0.0443569), wk = 0.0018382 k( 446) = ( 0.3106061 -0.1644727 -0.0454658), wk = 0.0018382 k( 447) = ( 0.3181818 -0.1684842 -0.0465747), wk = 0.0018382 k( 448) = ( 0.3257576 -0.1724958 -0.0476836), wk = 0.0018382 k( 449) = ( 0.3333333 -0.1765073 -0.0487926), wk = 0.0018382 k( 450) = ( 0.3409091 -0.1805188 -0.0499015), wk = 0.0018382 k( 451) = ( 0.3484849 -0.1845304 -0.0510104), wk = 0.0018382 k( 452) = ( 0.3560606 -0.1885419 -0.0521193), wk = 0.0018382 k( 453) = ( 0.3636364 -0.1925534 -0.0532283), wk = 0.0018382 k( 454) = ( 0.3712121 -0.1965649 -0.0543372), wk = 0.0018382 k( 455) = ( 0.3787879 -0.2005765 -0.0554461), wk = 0.0018382 k( 456) = ( 0.3863636 -0.2045880 -0.0565550), wk = 0.0018382 k( 457) = ( 0.3939394 -0.2085995 -0.0576639), wk = 0.0018382 k( 458) = ( 0.4015151 -0.2126111 -0.0587729), wk = 0.0018382 k( 459) = ( 0.4090909 -0.2166226 -0.0598818), wk = 0.0018382 k( 460) = ( 0.4166667 -0.2206341 -0.0609907), wk = 0.0018382 k( 461) = ( 0.4242424 -0.2246456 -0.0620996), wk = 0.0018382 k( 462) = ( 0.4318182 -0.2286572 -0.0632086), wk = 0.0018382 k( 463) = ( 0.4393939 -0.2326687 -0.0643175), wk = 0.0018382 k( 464) = ( 0.4469697 -0.2366802 -0.0654264), wk = 0.0018382 k( 465) = ( 0.4545455 -0.2406918 -0.0665353), wk = 0.0018382 k( 466) = ( 0.4621212 -0.2447033 -0.0676442), wk = 0.0018382 k( 467) = ( 0.4696970 -0.2487148 -0.0687532), wk = 0.0018382 k( 468) = ( 0.4772727 -0.2527264 -0.0698621), wk = 0.0018382 k( 469) = ( 0.4848485 -0.2567379 -0.0709710), wk = 0.0018382 k( 470) = ( 0.4924242 -0.2607494 -0.0720799), wk = 0.0018382 k( 471) = ( 0.5000000 -0.2647609 -0.0731889), wk = 0.0018382 k( 472) = ( 0.5000000 -0.2647609 0.2599814), wk = 0.0018382 k( 473) = ( 0.4930556 -0.2610837 0.2563705), wk = 0.0018382 k( 474) = ( 0.4861111 -0.2574065 0.2527597), wk = 0.0018382 k( 475) = ( 0.4791667 -0.2537292 0.2491488), wk = 0.0018382 k( 476) = ( 0.4722222 -0.2500520 0.2455380), wk = 0.0018382 k( 477) = ( 0.4652778 -0.2463748 0.2419271), wk = 0.0018382 k( 478) = ( 0.4583333 -0.2426975 0.2383163), wk = 0.0018382 k( 479) = ( 0.4513889 -0.2390203 0.2347054), wk = 0.0018382 k( 480) = ( 0.4444444 -0.2353431 0.2310946), wk = 0.0018382 k( 481) = ( 0.4375000 -0.2316658 0.2274837), wk = 0.0018382 k( 482) = ( 0.4305556 -0.2279886 0.2238729), wk = 0.0018382 k( 483) = ( 0.4236111 -0.2243114 0.2202620), wk = 0.0018382 k( 484) = ( 0.4166667 -0.2206341 0.2166512), wk = 0.0018382 k( 485) = ( 0.4097222 -0.2169569 0.2130403), wk = 0.0018382 k( 486) = ( 0.4027778 -0.2132797 0.2094295), wk = 0.0018382 k( 487) = ( 0.3958333 -0.2096024 0.2058186), wk = 0.0018382 k( 488) = ( 0.3888889 -0.2059252 0.2022077), wk = 0.0018382 k( 489) = ( 0.3819444 -0.2022479 0.1985969), wk = 0.0018382 k( 490) = ( 0.3750000 -0.1985707 0.1949860), wk = 0.0018382 k( 491) = ( 0.3680556 -0.1948935 0.1913752), wk = 0.0018382 k( 492) = ( 0.3611111 -0.1912162 0.1877643), wk = 0.0018382 k( 493) = ( 0.3541667 -0.1875390 0.1841535), wk = 0.0018382 k( 494) = ( 0.3472222 -0.1838618 0.1805426), wk = 0.0018382 k( 495) = ( 0.3402778 -0.1801845 0.1769318), wk = 0.0018382 k( 496) = ( 0.3333333 -0.1765073 0.1733209), wk = 0.0018382 k( 497) = ( 0.3263889 -0.1728301 0.1697101), wk = 0.0018382 k( 498) = ( 0.3194444 -0.1691528 0.1660992), wk = 0.0018382 k( 499) = ( 0.3125000 -0.1654756 0.1624884), wk = 0.0018382 k( 500) = ( 0.3055556 -0.1617984 0.1588775), wk = 0.0018382 k( 501) = ( 0.2986111 -0.1581211 0.1552667), wk = 0.0018382 k( 502) = ( 0.2916667 -0.1544439 0.1516558), wk = 0.0018382 k( 503) = ( 0.2847222 -0.1507666 0.1480450), wk = 0.0018382 k( 504) = ( 0.2777778 -0.1470894 0.1444341), wk = 0.0018382 k( 505) = ( 0.2708333 -0.1434122 0.1408232), wk = 0.0018382 k( 506) = ( 0.2638889 -0.1397349 0.1372124), wk = 0.0018382 k( 507) = ( 0.2569444 -0.1360577 0.1336015), wk = 0.0018382 k( 508) = ( 0.2500000 -0.1323805 0.1299907), wk = 0.0018382 k( 509) = ( 0.2430556 -0.1287032 0.1263798), wk = 0.0018382 k( 510) = ( 0.2361111 -0.1250260 0.1227690), wk = 0.0018382 k( 511) = ( 0.2291667 -0.1213488 0.1191581), wk = 0.0018382 k( 512) = ( 0.2222222 -0.1176715 0.1155473), wk = 0.0018382 k( 513) = ( 0.2152778 -0.1139943 0.1119364), wk = 0.0018382 k( 514) = ( 0.2083333 -0.1103171 0.1083256), wk = 0.0018382 k( 515) = ( 0.2013889 -0.1066398 0.1047147), wk = 0.0018382 k( 516) = ( 0.1944444 -0.1029626 0.1011039), wk = 0.0018382 k( 517) = ( 0.1875000 -0.0992854 0.0974930), wk = 0.0018382 k( 518) = ( 0.1805556 -0.0956081 0.0938822), wk = 0.0018382 k( 519) = ( 0.1736111 -0.0919309 0.0902713), wk = 0.0018382 k( 520) = ( 0.1666667 -0.0882537 0.0866605), wk = 0.0018382 k( 521) = ( 0.1597222 -0.0845764 0.0830496), wk = 0.0018382 k( 522) = ( 0.1527778 -0.0808992 0.0794388), wk = 0.0018382 k( 523) = ( 0.1458333 -0.0772219 0.0758279), wk = 0.0018382 k( 524) = ( 0.1388889 -0.0735447 0.0722171), wk = 0.0018382 k( 525) = ( 0.1319444 -0.0698675 0.0686062), wk = 0.0018382 k( 526) = ( 0.1250000 -0.0661902 0.0649953), wk = 0.0018382 k( 527) = ( 0.1180556 -0.0625130 0.0613845), wk = 0.0018382 k( 528) = ( 0.1111111 -0.0588358 0.0577736), wk = 0.0018382 k( 529) = ( 0.1041667 -0.0551585 0.0541628), wk = 0.0018382 k( 530) = ( 0.0972222 -0.0514813 0.0505519), wk = 0.0018382 k( 531) = ( 0.0902778 -0.0478041 0.0469411), wk = 0.0018382 k( 532) = ( 0.0833333 -0.0441268 0.0433302), wk = 0.0018382 k( 533) = ( 0.0763889 -0.0404496 0.0397194), wk = 0.0018382 k( 534) = ( 0.0694444 -0.0367724 0.0361085), wk = 0.0018382 k( 535) = ( 0.0625000 -0.0330951 0.0324977), wk = 0.0018382 k( 536) = ( 0.0555556 -0.0294179 0.0288868), wk = 0.0018382 k( 537) = ( 0.0486111 -0.0257406 0.0252760), wk = 0.0018382 k( 538) = ( 0.0416667 -0.0220634 0.0216651), wk = 0.0018382 k( 539) = ( 0.0347222 -0.0183862 0.0180543), wk = 0.0018382 k( 540) = ( 0.0277778 -0.0147089 0.0144434), wk = 0.0018382 k( 541) = ( 0.0208333 -0.0110317 0.0108326), wk = 0.0018382 k( 542) = ( 0.0138889 -0.0073545 0.0072217), wk = 0.0018382 k( 543) = ( 0.0069444 -0.0036772 0.0036109), wk = 0.0018382 k( 544) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018382 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018382 k( 2) = ( 0.0072464 0.0072464 -0.0000000), wk = 0.0018382 k( 3) = ( 0.0144928 0.0144928 -0.0000000), wk = 0.0018382 k( 4) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0018382 k( 5) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0018382 k( 6) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0018382 k( 7) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0018382 k( 8) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0018382 k( 9) = ( 0.0579710 0.0579710 0.0000000), wk = 0.0018382 k( 10) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0018382 k( 11) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0018382 k( 12) = ( 0.0797101 0.0797101 0.0000000), wk = 0.0018382 k( 13) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0018382 k( 14) = ( 0.0942029 0.0942029 0.0000000), wk = 0.0018382 k( 15) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0018382 k( 16) = ( 0.1086957 0.1086956 0.0000000), wk = 0.0018382 k( 17) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0018382 k( 18) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0018382 k( 19) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0018382 k( 20) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0018382 k( 21) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0018382 k( 22) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0018382 k( 23) = ( 0.1594203 0.1594203 0.0000000), wk = 0.0018382 k( 24) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0018382 k( 25) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0018382 k( 26) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0018382 k( 27) = ( 0.1884058 0.1884058 0.0000000), wk = 0.0018382 k( 28) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0018382 k( 29) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0018382 k( 30) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0018382 k( 31) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0018382 k( 32) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0018382 k( 33) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0018382 k( 34) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0018382 k( 35) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0018382 k( 36) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0018382 k( 37) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0018382 k( 38) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0018382 k( 39) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0018382 k( 40) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0018382 k( 41) = ( 0.2898551 0.2898551 0.0000000), wk = 0.0018382 k( 42) = ( 0.2971014 0.2971014 0.0000000), wk = 0.0018382 k( 43) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0018382 k( 44) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0018382 k( 45) = ( 0.3188406 0.3188406 0.0000000), wk = 0.0018382 k( 46) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0018382 k( 47) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0018382 k( 48) = ( 0.3405797 0.3405797 0.0000000), wk = 0.0018382 k( 49) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0018382 k( 50) = ( 0.3550725 0.3550725 0.0000000), wk = 0.0018382 k( 51) = ( 0.3623188 0.3623188 0.0000000), wk = 0.0018382 k( 52) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0018382 k( 53) = ( 0.3768116 0.3768116 0.0000000), wk = 0.0018382 k( 54) = ( 0.3840580 0.3840580 0.0000000), wk = 0.0018382 k( 55) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0018382 k( 56) = ( 0.3985507 0.3985507 -0.0000000), wk = 0.0018382 k( 57) = ( 0.4057971 0.4057971 0.0000000), wk = 0.0018382 k( 58) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0018382 k( 59) = ( 0.4202899 0.4202899 0.0000000), wk = 0.0018382 k( 60) = ( 0.4275362 0.4275362 0.0000000), wk = 0.0018382 k( 61) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0018382 k( 62) = ( 0.4420290 0.4420290 0.0000000), wk = 0.0018382 k( 63) = ( 0.4492754 0.4492754 0.0000000), wk = 0.0018382 k( 64) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0018382 k( 65) = ( 0.4637681 0.4637681 0.0000000), wk = 0.0018382 k( 66) = ( 0.4710145 0.4710145 0.0000000), wk = 0.0018382 k( 67) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0018382 k( 68) = ( 0.4855073 0.4855073 0.0000000), wk = 0.0018382 k( 69) = ( 0.4927536 0.4927536 0.0000000), wk = 0.0018382 k( 70) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018382 k( 71) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018382 k( 72) = ( 0.5017451 0.5017451 0.0129548), wk = 0.0018382 k( 73) = ( 0.5034902 0.5034902 0.0259096), wk = 0.0018382 k( 74) = ( 0.5052353 0.5052353 0.0388644), wk = 0.0018382 k( 75) = ( 0.5069804 0.5069804 0.0518192), wk = 0.0018382 k( 76) = ( 0.5087255 0.5087255 0.0647740), wk = 0.0018382 k( 77) = ( 0.5104706 0.5104706 0.0777288), wk = 0.0018382 k( 78) = ( 0.5122157 0.5122157 0.0906836), wk = 0.0018382 k( 79) = ( 0.5139609 0.5139609 0.1036384), wk = 0.0018382 k( 80) = ( 0.5157060 0.5157060 0.1165932), wk = 0.0018382 k( 81) = ( 0.5174511 0.5174511 0.1295479), wk = 0.0018382 k( 82) = ( 0.5191962 0.5191962 0.1425027), wk = 0.0018382 k( 83) = ( 0.5209413 0.5209413 0.1554575), wk = 0.0018382 k( 84) = ( 0.5226864 0.5226864 0.1684123), wk = 0.0018382 k( 85) = ( 0.5244315 0.5244315 0.1813671), wk = 0.0018382 k( 86) = ( 0.5261766 0.5261766 0.1943219), wk = 0.0018382 k( 87) = ( 0.5279217 0.5279217 0.2072767), wk = 0.0018382 k( 88) = ( 0.5296668 0.5296668 0.2202315), wk = 0.0018382 k( 89) = ( 0.5314119 0.5314119 0.2331863), wk = 0.0018382 k( 90) = ( 0.5331570 0.5331570 0.2461411), wk = 0.0018382 k( 91) = ( 0.5349021 0.5349021 0.2590959), wk = 0.0018382 k( 92) = ( 0.5366472 0.5366472 0.2720507), wk = 0.0018382 k( 93) = ( 0.5383923 0.5383923 0.2850055), wk = 0.0018382 k( 94) = ( 0.5401375 0.5401375 0.2979603), wk = 0.0018382 k( 95) = ( 0.5401375 0.5401375 0.2979603), wk = 0.0018382 k( 96) = ( 0.5379076 0.5379076 0.3091847), wk = 0.0018382 k( 97) = ( 0.5356777 0.5356777 0.3204091), wk = 0.0018382 k( 98) = ( 0.5334479 0.5334479 0.3316336), wk = 0.0018382 k( 99) = ( 0.5312180 0.5312180 0.3428580), wk = 0.0018382 k( 100) = ( 0.5289882 0.5289882 0.3540824), wk = 0.0018382 k( 101) = ( 0.5267583 0.5267583 0.3653069), wk = 0.0018382 k( 102) = ( 0.5245284 0.5245284 0.3765313), wk = 0.0018382 k( 103) = ( 0.5222986 0.5222986 0.3877557), wk = 0.0018382 k( 104) = ( 0.5200687 0.5200687 0.3989801), wk = 0.0018382 k( 105) = ( 0.5178389 0.5178389 0.4102046), wk = 0.0018382 k( 106) = ( 0.5156090 0.5156090 0.4214290), wk = 0.0018382 k( 107) = ( 0.5133792 0.5133792 0.4326534), wk = 0.0018382 k( 108) = ( 0.5111493 0.5111493 0.4438778), wk = 0.0018382 k( 109) = ( 0.5089194 0.5089194 0.4551023), wk = 0.0018382 k( 110) = ( 0.5066896 0.5066896 0.4663267), wk = 0.0018382 k( 111) = ( 0.5044597 0.5044597 0.4775511), wk = 0.0018382 k( 112) = ( 0.5022299 0.5022299 0.4887756), wk = 0.0018382 k( 113) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018382 k( 114) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018382 k( 115) = ( 0.5044910 0.4955090 0.5000000), wk = 0.0018382 k( 116) = ( 0.5089820 0.4910180 0.5000000), wk = 0.0018382 k( 117) = ( 0.5134729 0.4865271 0.5000000), wk = 0.0018382 k( 118) = ( 0.5179639 0.4820361 0.5000000), wk = 0.0018382 k( 119) = ( 0.5224549 0.4775451 0.5000000), wk = 0.0018382 k( 120) = ( 0.5269459 0.4730541 0.5000000), wk = 0.0018382 k( 121) = ( 0.5314368 0.4685632 0.5000000), wk = 0.0018382 k( 122) = ( 0.5359278 0.4640722 0.5000000), wk = 0.0018382 k( 123) = ( 0.5404188 0.4595812 0.5000000), wk = 0.0018382 k( 124) = ( 0.5449098 0.4550902 0.5000000), wk = 0.0018382 k( 125) = ( 0.5494007 0.4505993 0.5000000), wk = 0.0018382 k( 126) = ( 0.5538917 0.4461083 0.5000000), wk = 0.0018382 k( 127) = ( 0.5583827 0.4416173 0.5000000), wk = 0.0018382 k( 128) = ( 0.5628737 0.4371263 0.5000000), wk = 0.0018382 k( 129) = ( 0.5673646 0.4326354 0.5000000), wk = 0.0018382 k( 130) = ( 0.5718556 0.4281444 0.5000000), wk = 0.0018382 k( 131) = ( 0.5763466 0.4236534 0.5000000), wk = 0.0018382 k( 132) = ( 0.5808376 0.4191624 0.5000000), wk = 0.0018382 k( 133) = ( 0.5853285 0.4146715 0.5000000), wk = 0.0018382 k( 134) = ( 0.5898195 0.4101805 0.5000000), wk = 0.0018382 k( 135) = ( 0.5943105 0.4056895 0.5000000), wk = 0.0018382 k( 136) = ( 0.5988015 0.4011985 0.5000000), wk = 0.0018382 k( 137) = ( 0.6032924 0.3967076 0.5000000), wk = 0.0018382 k( 138) = ( 0.6077834 0.3922166 0.5000000), wk = 0.0018382 k( 139) = ( 0.6122744 0.3877256 0.5000000), wk = 0.0018382 k( 140) = ( 0.6167654 0.3832346 0.5000000), wk = 0.0018382 k( 141) = ( 0.6212563 0.3787437 0.5000000), wk = 0.0018382 k( 142) = ( 0.6257473 0.3742527 0.5000000), wk = 0.0018382 k( 143) = ( 0.6302383 0.3697617 0.5000000), wk = 0.0018382 k( 144) = ( 0.6347293 0.3652707 0.5000000), wk = 0.0018382 k( 145) = ( 0.6392202 0.3607798 0.5000000), wk = 0.0018382 k( 146) = ( 0.6437112 0.3562888 0.5000000), wk = 0.0018382 k( 147) = ( 0.6482022 0.3517978 0.5000000), wk = 0.0018382 k( 148) = ( 0.6526932 0.3473068 0.5000000), wk = 0.0018382 k( 149) = ( 0.6571841 0.3428158 0.5000000), wk = 0.0018382 k( 150) = ( 0.6616751 0.3383249 0.5000000), wk = 0.0018382 k( 151) = ( 0.6661661 0.3338339 0.5000000), wk = 0.0018382 k( 152) = ( 0.6706571 0.3293429 0.5000000), wk = 0.0018382 k( 153) = ( 0.6751480 0.3248520 0.5000000), wk = 0.0018382 k( 154) = ( 0.6796390 0.3203610 0.5000000), wk = 0.0018382 k( 155) = ( 0.3203610 -0.3203610 0.5000000), wk = 0.0018382 k( 156) = ( 0.3159115 -0.3159115 0.5000000), wk = 0.0018382 k( 157) = ( 0.3114621 -0.3114621 0.5000000), wk = 0.0018382 k( 158) = ( 0.3070126 -0.3070126 0.5000000), wk = 0.0018382 k( 159) = ( 0.3025631 -0.3025631 0.5000000), wk = 0.0018382 k( 160) = ( 0.2981137 -0.2981137 0.5000000), wk = 0.0018382 k( 161) = ( 0.2936642 -0.2936642 0.5000000), wk = 0.0018382 k( 162) = ( 0.2892148 -0.2892148 0.5000000), wk = 0.0018382 k( 163) = ( 0.2847653 -0.2847653 0.5000000), wk = 0.0018382 k( 164) = ( 0.2803158 -0.2803158 0.5000000), wk = 0.0018382 k( 165) = ( 0.2758664 -0.2758664 0.5000000), wk = 0.0018382 k( 166) = ( 0.2714169 -0.2714169 0.5000000), wk = 0.0018382 k( 167) = ( 0.2669675 -0.2669675 0.5000000), wk = 0.0018382 k( 168) = ( 0.2625180 -0.2625180 0.5000000), wk = 0.0018382 k( 169) = ( 0.2580686 -0.2580686 0.5000000), wk = 0.0018382 k( 170) = ( 0.2536191 -0.2536191 0.5000000), wk = 0.0018382 k( 171) = ( 0.2491696 -0.2491696 0.5000000), wk = 0.0018382 k( 172) = ( 0.2447202 -0.2447202 0.5000000), wk = 0.0018382 k( 173) = ( 0.2402707 -0.2402707 0.5000000), wk = 0.0018382 k( 174) = ( 0.2358213 -0.2358213 0.5000000), wk = 0.0018382 k( 175) = ( 0.2313718 -0.2313718 0.5000000), wk = 0.0018382 k( 176) = ( 0.2269224 -0.2269224 0.5000000), wk = 0.0018382 k( 177) = ( 0.2224729 -0.2224729 0.5000000), wk = 0.0018382 k( 178) = ( 0.2180234 -0.2180234 0.5000000), wk = 0.0018382 k( 179) = ( 0.2135740 -0.2135740 0.5000000), wk = 0.0018382 k( 180) = ( 0.2091245 -0.2091245 0.5000000), wk = 0.0018382 k( 181) = ( 0.2046751 -0.2046751 0.5000000), wk = 0.0018382 k( 182) = ( 0.2002256 -0.2002256 0.5000000), wk = 0.0018382 k( 183) = ( 0.1957762 -0.1957762 0.5000000), wk = 0.0018382 k( 184) = ( 0.1913267 -0.1913267 0.5000000), wk = 0.0018382 k( 185) = ( 0.1868772 -0.1868772 0.5000000), wk = 0.0018382 k( 186) = ( 0.1824278 -0.1824278 0.5000000), wk = 0.0018382 k( 187) = ( 0.1779783 -0.1779783 0.5000000), wk = 0.0018382 k( 188) = ( 0.1735289 -0.1735289 0.5000000), wk = 0.0018382 k( 189) = ( 0.1690794 -0.1690794 0.5000000), wk = 0.0018382 k( 190) = ( 0.1646299 -0.1646299 0.5000000), wk = 0.0018382 k( 191) = ( 0.1601805 -0.1601805 0.5000000), wk = 0.0018382 k( 192) = ( 0.1557310 -0.1557310 0.5000000), wk = 0.0018382 k( 193) = ( 0.1512816 -0.1512816 0.5000000), wk = 0.0018382 k( 194) = ( 0.1468321 -0.1468321 0.5000000), wk = 0.0018382 k( 195) = ( 0.1423827 -0.1423827 0.5000000), wk = 0.0018382 k( 196) = ( 0.1379332 -0.1379332 0.5000000), wk = 0.0018382 k( 197) = ( 0.1334837 -0.1334837 0.5000000), wk = 0.0018382 k( 198) = ( 0.1290343 -0.1290343 0.5000000), wk = 0.0018382 k( 199) = ( 0.1245848 -0.1245848 0.5000000), wk = 0.0018382 k( 200) = ( 0.1201354 -0.1201354 0.5000000), wk = 0.0018382 k( 201) = ( 0.1156859 -0.1156859 0.5000000), wk = 0.0018382 k( 202) = ( 0.1112365 -0.1112365 0.5000000), wk = 0.0018382 k( 203) = ( 0.1067870 -0.1067870 0.5000000), wk = 0.0018382 k( 204) = ( 0.1023375 -0.1023375 0.5000000), wk = 0.0018382 k( 205) = ( 0.0978881 -0.0978881 0.5000000), wk = 0.0018382 k( 206) = ( 0.0934386 -0.0934386 0.5000000), wk = 0.0018382 k( 207) = ( 0.0889892 -0.0889892 0.5000000), wk = 0.0018382 k( 208) = ( 0.0845397 -0.0845397 0.5000000), wk = 0.0018382 k( 209) = ( 0.0800902 -0.0800902 0.5000000), wk = 0.0018382 k( 210) = ( 0.0756408 -0.0756408 0.5000000), wk = 0.0018382 k( 211) = ( 0.0711913 -0.0711913 0.5000000), wk = 0.0018382 k( 212) = ( 0.0667419 -0.0667419 0.5000000), wk = 0.0018382 k( 213) = ( 0.0622924 -0.0622924 0.5000000), wk = 0.0018382 k( 214) = ( 0.0578429 -0.0578429 0.5000000), wk = 0.0018382 k( 215) = ( 0.0533935 -0.0533935 0.5000000), wk = 0.0018382 k( 216) = ( 0.0489440 -0.0489440 0.5000000), wk = 0.0018382 k( 217) = ( 0.0444946 -0.0444946 0.5000000), wk = 0.0018382 k( 218) = ( 0.0400451 -0.0400451 0.5000000), wk = 0.0018382 k( 219) = ( 0.0355957 -0.0355957 0.5000000), wk = 0.0018382 k( 220) = ( 0.0311462 -0.0311462 0.5000000), wk = 0.0018382 k( 221) = ( 0.0266968 -0.0266968 0.5000000), wk = 0.0018382 k( 222) = ( 0.0222473 -0.0222473 0.5000000), wk = 0.0018382 k( 223) = ( 0.0177978 -0.0177978 0.5000000), wk = 0.0018382 k( 224) = ( 0.0133484 -0.0133484 0.5000000), wk = 0.0018382 k( 225) = ( 0.0088989 -0.0088989 0.5000000), wk = 0.0018382 k( 226) = ( 0.0044495 -0.0044495 0.5000000), wk = 0.0018382 k( 227) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018382 k( 228) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018382 k( 229) = ( 0.0074171 0.0074171 0.5032587), wk = 0.0018382 k( 230) = ( 0.0148343 0.0148343 0.5065174), wk = 0.0018382 k( 231) = ( 0.0222514 0.0222514 0.5097761), wk = 0.0018382 k( 232) = ( 0.0296685 0.0296685 0.5130348), wk = 0.0018382 k( 233) = ( 0.0370857 0.0370857 0.5162935), wk = 0.0018382 k( 234) = ( 0.0445028 0.0445028 0.5195522), wk = 0.0018382 k( 235) = ( 0.0519200 0.0519200 0.5228109), wk = 0.0018382 k( 236) = ( 0.0593371 0.0593371 0.5260696), wk = 0.0018382 k( 237) = ( 0.0667542 0.0667542 0.5293284), wk = 0.0018382 k( 238) = ( 0.0741714 0.0741714 0.5325870), wk = 0.0018382 k( 239) = ( 0.0815885 0.0815885 0.5358458), wk = 0.0018382 k( 240) = ( 0.0890057 0.0890056 0.5391045), wk = 0.0018382 k( 241) = ( 0.0964228 0.0964228 0.5423632), wk = 0.0018382 k( 242) = ( 0.1038399 0.1038399 0.5456219), wk = 0.0018382 k( 243) = ( 0.1112571 0.1112571 0.5488806), wk = 0.0018382 k( 244) = ( 0.1186742 0.1186742 0.5521393), wk = 0.0018382 k( 245) = ( 0.1260913 0.1260913 0.5553980), wk = 0.0018382 k( 246) = ( 0.1335085 0.1335085 0.5586567), wk = 0.0018382 k( 247) = ( 0.1409256 0.1409256 0.5619154), wk = 0.0018382 k( 248) = ( 0.1483428 0.1483428 0.5651741), wk = 0.0018382 k( 249) = ( 0.1557599 0.1557599 0.5684328), wk = 0.0018382 k( 250) = ( 0.1631770 0.1631770 0.5716915), wk = 0.0018382 k( 251) = ( 0.1705942 0.1705942 0.5749502), wk = 0.0018382 k( 252) = ( 0.1780113 0.1780113 0.5782089), wk = 0.0018382 k( 253) = ( 0.1854284 0.1854284 0.5814676), wk = 0.0018382 k( 254) = ( 0.1928456 0.1928456 0.5847263), wk = 0.0018382 k( 255) = ( 0.2002627 0.2002627 0.5879850), wk = 0.0018382 k( 256) = ( 0.2076799 0.2076799 0.5912437), wk = 0.0018382 k( 257) = ( 0.2150970 0.2150970 0.5945025), wk = 0.0018382 k( 258) = ( 0.2225141 0.2225141 0.5977612), wk = 0.0018382 k( 259) = ( 0.2299313 0.2299313 0.6010199), wk = 0.0018382 k( 260) = ( 0.2373484 0.2373484 0.6042786), wk = 0.0018382 k( 261) = ( 0.2447655 0.2447655 0.6075373), wk = 0.0018382 k( 262) = ( 0.2521827 0.2521827 0.6107960), wk = 0.0018382 k( 263) = ( 0.2595998 0.2595998 0.6140547), wk = 0.0018382 k( 264) = ( 0.2670170 0.2670170 0.6173134), wk = 0.0018382 k( 265) = ( 0.2744341 0.2744341 0.6205721), wk = 0.0018382 k( 266) = ( 0.2818512 0.2818512 0.6238308), wk = 0.0018382 k( 267) = ( 0.2892684 0.2892684 0.6270895), wk = 0.0018382 k( 268) = ( 0.2966855 0.2966855 0.6303482), wk = 0.0018382 k( 269) = ( 0.3041026 0.3041026 0.6336069), wk = 0.0018382 k( 270) = ( 0.3115198 0.3115198 0.6368656), wk = 0.0018382 k( 271) = ( 0.3189369 0.3189369 0.6401243), wk = 0.0018382 k( 272) = ( 0.3263541 0.3263541 0.6433830), wk = 0.0018382 k( 273) = ( 0.3337712 0.3337712 0.6466417), wk = 0.0018382 k( 274) = ( 0.3411883 0.3411883 0.6499004), wk = 0.0018382 k( 275) = ( 0.3486055 0.3486055 0.6531592), wk = 0.0018382 k( 276) = ( 0.3560226 0.3560226 0.6564178), wk = 0.0018382 k( 277) = ( 0.3634398 0.3634398 0.6596766), wk = 0.0018382 k( 278) = ( 0.3708569 0.3708569 0.6629353), wk = 0.0018382 k( 279) = ( 0.3782740 0.3782740 0.6661940), wk = 0.0018382 k( 280) = ( 0.3856912 0.3856912 0.6694527), wk = 0.0018382 k( 281) = ( 0.3931083 0.3931083 0.6727114), wk = 0.0018382 k( 282) = ( 0.4005255 0.4005254 0.6759701), wk = 0.0018382 k( 283) = ( 0.4079426 0.4079426 0.6792288), wk = 0.0018382 k( 284) = ( 0.4153597 0.4153597 0.6824875), wk = 0.0018382 k( 285) = ( 0.4227769 0.4227769 0.6857462), wk = 0.0018382 k( 286) = ( 0.4301940 0.4301940 0.6890049), wk = 0.0018382 k( 287) = ( 0.4376111 0.4376111 0.6922636), wk = 0.0018382 k( 288) = ( 0.4450283 0.4450283 0.6955223), wk = 0.0018382 k( 289) = ( 0.4524454 0.4524454 0.6987810), wk = 0.0018382 k( 290) = ( 0.4598625 0.4598625 0.7020397), wk = 0.0018382 k( 291) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018382 k( 292) = ( 0.5043912 0.4956088 0.0000000), wk = 0.0018382 k( 293) = ( 0.5087824 0.4912176 -0.0000000), wk = 0.0018382 k( 294) = ( 0.5131736 0.4868264 0.0000000), wk = 0.0018382 k( 295) = ( 0.5175648 0.4824352 0.0000000), wk = 0.0018382 k( 296) = ( 0.5219560 0.4780440 -0.0000000), wk = 0.0018382 k( 297) = ( 0.5263473 0.4736528 0.0000000), wk = 0.0018382 k( 298) = ( 0.5307385 0.4692615 -0.0000000), wk = 0.0018382 k( 299) = ( 0.5351297 0.4648703 -0.0000000), wk = 0.0018382 k( 300) = ( 0.5395209 0.4604791 0.0000000), wk = 0.0018382 k( 301) = ( 0.5439121 0.4560879 -0.0000000), wk = 0.0018382 k( 302) = ( 0.5483033 0.4516967 0.0000000), wk = 0.0018382 k( 303) = ( 0.5526945 0.4473055 -0.0000000), wk = 0.0018382 k( 304) = ( 0.5570857 0.4429143 0.0000000), wk = 0.0018382 k( 305) = ( 0.5614769 0.4385231 0.0000000), wk = 0.0018382 k( 306) = ( 0.5658681 0.4341319 -0.0000000), wk = 0.0018382 k( 307) = ( 0.5702593 0.4297407 0.0000000), wk = 0.0018382 k( 308) = ( 0.5746505 0.4253495 -0.0000000), wk = 0.0018382 k( 309) = ( 0.5790418 0.4209582 0.0000000), wk = 0.0018382 k( 310) = ( 0.5834330 0.4165670 0.0000000), wk = 0.0018382 k( 311) = ( 0.5878242 0.4121758 0.0000000), wk = 0.0018382 k( 312) = ( 0.5922154 0.4077846 -0.0000000), wk = 0.0018382 k( 313) = ( 0.5966066 0.4033934 -0.0000000), wk = 0.0018382 k( 314) = ( 0.6009978 0.3990022 -0.0000000), wk = 0.0018382 k( 315) = ( 0.6053890 0.3946110 -0.0000000), wk = 0.0018382 k( 316) = ( 0.6097802 0.3902198 0.0000000), wk = 0.0018382 k( 317) = ( 0.6141714 0.3858286 0.0000000), wk = 0.0018382 k( 318) = ( 0.6185626 0.3814374 -0.0000000), wk = 0.0018382 k( 319) = ( 0.6229539 0.3770462 -0.0000000), wk = 0.0018382 k( 320) = ( 0.6273451 0.3726549 0.0000000), wk = 0.0018382 k( 321) = ( 0.6317363 0.3682637 -0.0000000), wk = 0.0018382 k( 322) = ( 0.6361275 0.3638725 0.0000000), wk = 0.0018382 k( 323) = ( 0.6405187 0.3594813 0.0000000), wk = 0.0018382 k( 324) = ( 0.6449099 0.3550901 -0.0000000), wk = 0.0018382 k( 325) = ( 0.6493011 0.3506989 0.0000000), wk = 0.0018382 k( 326) = ( 0.6536923 0.3463077 -0.0000000), wk = 0.0018382 k( 327) = ( 0.3463077 -0.3463077 -0.0000000), wk = 0.0018382 k( 328) = ( 0.3418102 -0.3418102 -0.0000000), wk = 0.0018382 k( 329) = ( 0.3373127 -0.3373127 0.0000000), wk = 0.0018382 k( 330) = ( 0.3328152 -0.3328152 0.0000000), wk = 0.0018382 k( 331) = ( 0.3283177 -0.3283177 0.0000000), wk = 0.0018382 k( 332) = ( 0.3238202 -0.3238202 0.0000000), wk = 0.0018382 k( 333) = ( 0.3193227 -0.3193227 -0.0000000), wk = 0.0018382 k( 334) = ( 0.3148252 -0.3148252 -0.0000000), wk = 0.0018382 k( 335) = ( 0.3103277 -0.3103277 -0.0000000), wk = 0.0018382 k( 336) = ( 0.3058302 -0.3058302 -0.0000000), wk = 0.0018382 k( 337) = ( 0.3013327 -0.3013327 -0.0000000), wk = 0.0018382 k( 338) = ( 0.2968352 -0.2968352 -0.0000000), wk = 0.0018382 k( 339) = ( 0.2923377 -0.2923377 0.0000000), wk = 0.0018382 k( 340) = ( 0.2878402 -0.2878402 -0.0000000), wk = 0.0018382 k( 341) = ( 0.2833426 -0.2833426 -0.0000000), wk = 0.0018382 k( 342) = ( 0.2788451 -0.2788451 0.0000000), wk = 0.0018382 k( 343) = ( 0.2743476 -0.2743476 -0.0000000), wk = 0.0018382 k( 344) = ( 0.2698502 -0.2698502 -0.0000000), wk = 0.0018382 k( 345) = ( 0.2653526 -0.2653526 0.0000000), wk = 0.0018382 k( 346) = ( 0.2608551 -0.2608551 -0.0000000), wk = 0.0018382 k( 347) = ( 0.2563576 -0.2563576 -0.0000000), wk = 0.0018382 k( 348) = ( 0.2518601 -0.2518601 0.0000000), wk = 0.0018382 k( 349) = ( 0.2473626 -0.2473626 -0.0000000), wk = 0.0018382 k( 350) = ( 0.2428651 -0.2428651 -0.0000000), wk = 0.0018382 k( 351) = ( 0.2383676 -0.2383676 0.0000000), wk = 0.0018382 k( 352) = ( 0.2338701 -0.2338701 0.0000000), wk = 0.0018382 k( 353) = ( 0.2293726 -0.2293726 0.0000000), wk = 0.0018382 k( 354) = ( 0.2248751 -0.2248751 -0.0000000), wk = 0.0018382 k( 355) = ( 0.2203776 -0.2203776 0.0000000), wk = 0.0018382 k( 356) = ( 0.2158801 -0.2158801 0.0000000), wk = 0.0018382 k( 357) = ( 0.2113826 -0.2113826 0.0000000), wk = 0.0018382 k( 358) = ( 0.2068851 -0.2068851 0.0000000), wk = 0.0018382 k( 359) = ( 0.2023876 -0.2023876 0.0000000), wk = 0.0018382 k( 360) = ( 0.1978901 -0.1978901 0.0000000), wk = 0.0018382 k( 361) = ( 0.1933926 -0.1933926 0.0000000), wk = 0.0018382 k( 362) = ( 0.1888951 -0.1888951 0.0000000), wk = 0.0018382 k( 363) = ( 0.1843976 -0.1843976 -0.0000000), wk = 0.0018382 k( 364) = ( 0.1799001 -0.1799001 0.0000000), wk = 0.0018382 k( 365) = ( 0.1754026 -0.1754026 0.0000000), wk = 0.0018382 k( 366) = ( 0.1709051 -0.1709051 0.0000000), wk = 0.0018382 k( 367) = ( 0.1664076 -0.1664076 0.0000000), wk = 0.0018382 k( 368) = ( 0.1619101 -0.1619101 0.0000000), wk = 0.0018382 k( 369) = ( 0.1574126 -0.1574126 0.0000000), wk = 0.0018382 k( 370) = ( 0.1529151 -0.1529151 0.0000000), wk = 0.0018382 k( 371) = ( 0.1484176 -0.1484176 -0.0000000), wk = 0.0018382 k( 372) = ( 0.1439201 -0.1439201 -0.0000000), wk = 0.0018382 k( 373) = ( 0.1394226 -0.1394226 -0.0000000), wk = 0.0018382 k( 374) = ( 0.1349251 -0.1349251 0.0000000), wk = 0.0018382 k( 375) = ( 0.1304276 -0.1304276 -0.0000000), wk = 0.0018382 k( 376) = ( 0.1259301 -0.1259301 0.0000000), wk = 0.0018382 k( 377) = ( 0.1214326 -0.1214326 0.0000000), wk = 0.0018382 k( 378) = ( 0.1169351 -0.1169351 0.0000000), wk = 0.0018382 k( 379) = ( 0.1124376 -0.1124376 -0.0000000), wk = 0.0018382 k( 380) = ( 0.1079401 -0.1079401 0.0000000), wk = 0.0018382 k( 381) = ( 0.1034426 -0.1034426 0.0000000), wk = 0.0018382 k( 382) = ( 0.0989451 -0.0989450 0.0000000), wk = 0.0018382 k( 383) = ( 0.0944476 -0.0944475 0.0000000), wk = 0.0018382 k( 384) = ( 0.0899501 -0.0899500 0.0000000), wk = 0.0018382 k( 385) = ( 0.0854526 -0.0854526 0.0000000), wk = 0.0018382 k( 386) = ( 0.0809550 -0.0809550 0.0000000), wk = 0.0018382 k( 387) = ( 0.0764575 -0.0764575 0.0000000), wk = 0.0018382 k( 388) = ( 0.0719600 -0.0719600 -0.0000000), wk = 0.0018382 k( 389) = ( 0.0674625 -0.0674625 0.0000000), wk = 0.0018382 k( 390) = ( 0.0629650 -0.0629650 0.0000000), wk = 0.0018382 k( 391) = ( 0.0584675 -0.0584675 0.0000000), wk = 0.0018382 k( 392) = ( 0.0539700 -0.0539700 0.0000000), wk = 0.0018382 k( 393) = ( 0.0494725 -0.0494725 -0.0000000), wk = 0.0018382 k( 394) = ( 0.0449750 -0.0449750 -0.0000000), wk = 0.0018382 k( 395) = ( 0.0404775 -0.0404775 0.0000000), wk = 0.0018382 k( 396) = ( 0.0359800 -0.0359800 -0.0000000), wk = 0.0018382 k( 397) = ( 0.0314825 -0.0314825 0.0000000), wk = 0.0018382 k( 398) = ( 0.0269850 -0.0269850 -0.0000000), wk = 0.0018382 k( 399) = ( 0.0224875 -0.0224875 -0.0000000), wk = 0.0018382 k( 400) = ( 0.0179900 -0.0179900 -0.0000000), wk = 0.0018382 k( 401) = ( 0.0134925 -0.0134925 -0.0000000), wk = 0.0018382 k( 402) = ( 0.0089950 -0.0089950 0.0000000), wk = 0.0018382 k( 403) = ( 0.0044975 -0.0044975 0.0000000), wk = 0.0018382 k( 404) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018382 k( 405) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018382 k( 406) = ( 0.0075758 0.0000000 0.0000000), wk = 0.0018382 k( 407) = ( 0.0151515 0.0000000 0.0000000), wk = 0.0018382 k( 408) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0018382 k( 409) = ( 0.0303030 0.0000000 -0.0000000), wk = 0.0018382 k( 410) = ( 0.0378788 0.0000000 0.0000000), wk = 0.0018382 k( 411) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0018382 k( 412) = ( 0.0530303 0.0000000 0.0000000), wk = 0.0018382 k( 413) = ( 0.0606061 0.0000000 -0.0000000), wk = 0.0018382 k( 414) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0018382 k( 415) = ( 0.0757576 0.0000000 0.0000000), wk = 0.0018382 k( 416) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0018382 k( 417) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0018382 k( 418) = ( 0.0984848 -0.0000000 0.0000000), wk = 0.0018382 k( 419) = ( 0.1060606 0.0000000 0.0000000), wk = 0.0018382 k( 420) = ( 0.1136364 0.0000000 0.0000000), wk = 0.0018382 k( 421) = ( 0.1212121 0.0000000 -0.0000000), wk = 0.0018382 k( 422) = ( 0.1287879 0.0000000 0.0000000), wk = 0.0018382 k( 423) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0018382 k( 424) = ( 0.1439394 -0.0000000 0.0000000), wk = 0.0018382 k( 425) = ( 0.1515151 -0.0000000 -0.0000000), wk = 0.0018382 k( 426) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0018382 k( 427) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0018382 k( 428) = ( 0.1742424 -0.0000000 0.0000000), wk = 0.0018382 k( 429) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0018382 k( 430) = ( 0.1893939 0.0000000 0.0000000), wk = 0.0018382 k( 431) = ( 0.1969697 -0.0000000 0.0000000), wk = 0.0018382 k( 432) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0018382 k( 433) = ( 0.2121212 0.0000000 0.0000000), wk = 0.0018382 k( 434) = ( 0.2196970 0.0000000 0.0000000), wk = 0.0018382 k( 435) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0018382 k( 436) = ( 0.2348485 0.0000000 0.0000000), wk = 0.0018382 k( 437) = ( 0.2424242 0.0000000 -0.0000000), wk = 0.0018382 k( 438) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0018382 k( 439) = ( 0.2575758 0.0000000 0.0000000), wk = 0.0018382 k( 440) = ( 0.2651515 -0.0000000 0.0000000), wk = 0.0018382 k( 441) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0018382 k( 442) = ( 0.2803030 0.0000000 0.0000000), wk = 0.0018382 k( 443) = ( 0.2878788 0.0000000 0.0000000), wk = 0.0018382 k( 444) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0018382 k( 445) = ( 0.3030303 -0.0000000 -0.0000000), wk = 0.0018382 k( 446) = ( 0.3106061 0.0000000 0.0000000), wk = 0.0018382 k( 447) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0018382 k( 448) = ( 0.3257576 0.0000000 0.0000000), wk = 0.0018382 k( 449) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0018382 k( 450) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0018382 k( 451) = ( 0.3484849 0.0000000 0.0000000), wk = 0.0018382 k( 452) = ( 0.3560606 0.0000000 0.0000000), wk = 0.0018382 k( 453) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0018382 k( 454) = ( 0.3712121 0.0000000 0.0000000), wk = 0.0018382 k( 455) = ( 0.3787879 0.0000000 0.0000000), wk = 0.0018382 k( 456) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0018382 k( 457) = ( 0.3939394 0.0000000 0.0000000), wk = 0.0018382 k( 458) = ( 0.4015151 0.0000000 0.0000000), wk = 0.0018382 k( 459) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0018382 k( 460) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0018382 k( 461) = ( 0.4242424 0.0000000 0.0000000), wk = 0.0018382 k( 462) = ( 0.4318182 0.0000000 -0.0000000), wk = 0.0018382 k( 463) = ( 0.4393939 0.0000000 0.0000000), wk = 0.0018382 k( 464) = ( 0.4469697 0.0000000 0.0000000), wk = 0.0018382 k( 465) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0018382 k( 466) = ( 0.4621212 0.0000000 0.0000000), wk = 0.0018382 k( 467) = ( 0.4696970 0.0000000 0.0000000), wk = 0.0018382 k( 468) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0018382 k( 469) = ( 0.4848485 0.0000000 -0.0000000), wk = 0.0018382 k( 470) = ( 0.4924242 0.0000000 0.0000000), wk = 0.0018382 k( 471) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018382 k( 472) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018382 k( 473) = ( 0.4930556 0.0000000 0.4930556), wk = 0.0018382 k( 474) = ( 0.4861111 0.0000000 0.4861111), wk = 0.0018382 k( 475) = ( 0.4791667 0.0000000 0.4791667), wk = 0.0018382 k( 476) = ( 0.4722222 0.0000000 0.4722222), wk = 0.0018382 k( 477) = ( 0.4652778 0.0000000 0.4652778), wk = 0.0018382 k( 478) = ( 0.4583333 -0.0000000 0.4583333), wk = 0.0018382 k( 479) = ( 0.4513889 0.0000000 0.4513889), wk = 0.0018382 k( 480) = ( 0.4444444 0.0000000 0.4444444), wk = 0.0018382 k( 481) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0018382 k( 482) = ( 0.4305556 0.0000000 0.4305556), wk = 0.0018382 k( 483) = ( 0.4236111 0.0000000 0.4236111), wk = 0.0018382 k( 484) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0018382 k( 485) = ( 0.4097222 0.0000000 0.4097222), wk = 0.0018382 k( 486) = ( 0.4027778 0.0000000 0.4027778), wk = 0.0018382 k( 487) = ( 0.3958333 0.0000000 0.3958333), wk = 0.0018382 k( 488) = ( 0.3888889 0.0000000 0.3888889), wk = 0.0018382 k( 489) = ( 0.3819444 0.0000000 0.3819444), wk = 0.0018382 k( 490) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0018382 k( 491) = ( 0.3680556 0.0000000 0.3680556), wk = 0.0018382 k( 492) = ( 0.3611111 0.0000000 0.3611111), wk = 0.0018382 k( 493) = ( 0.3541667 0.0000000 0.3541667), wk = 0.0018382 k( 494) = ( 0.3472222 -0.0000000 0.3472222), wk = 0.0018382 k( 495) = ( 0.3402778 0.0000000 0.3402778), wk = 0.0018382 k( 496) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0018382 k( 497) = ( 0.3263889 0.0000000 0.3263889), wk = 0.0018382 k( 498) = ( 0.3194444 0.0000000 0.3194444), wk = 0.0018382 k( 499) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0018382 k( 500) = ( 0.3055556 0.0000000 0.3055556), wk = 0.0018382 k( 501) = ( 0.2986111 0.0000000 0.2986111), wk = 0.0018382 k( 502) = ( 0.2916667 0.0000000 0.2916667), wk = 0.0018382 k( 503) = ( 0.2847222 0.0000000 0.2847222), wk = 0.0018382 k( 504) = ( 0.2777778 0.0000000 0.2777778), wk = 0.0018382 k( 505) = ( 0.2708333 0.0000000 0.2708333), wk = 0.0018382 k( 506) = ( 0.2638889 -0.0000000 0.2638889), wk = 0.0018382 k( 507) = ( 0.2569444 0.0000000 0.2569444), wk = 0.0018382 k( 508) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0018382 k( 509) = ( 0.2430556 0.0000000 0.2430556), wk = 0.0018382 k( 510) = ( 0.2361111 0.0000000 0.2361111), wk = 0.0018382 k( 511) = ( 0.2291667 0.0000000 0.2291667), wk = 0.0018382 k( 512) = ( 0.2222222 0.0000000 0.2222222), wk = 0.0018382 k( 513) = ( 0.2152778 0.0000000 0.2152778), wk = 0.0018382 k( 514) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0018382 k( 515) = ( 0.2013889 0.0000000 0.2013889), wk = 0.0018382 k( 516) = ( 0.1944444 0.0000000 0.1944444), wk = 0.0018382 k( 517) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0018382 k( 518) = ( 0.1805556 -0.0000000 0.1805556), wk = 0.0018382 k( 519) = ( 0.1736111 -0.0000000 0.1736111), wk = 0.0018382 k( 520) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0018382 k( 521) = ( 0.1597222 0.0000000 0.1597222), wk = 0.0018382 k( 522) = ( 0.1527778 0.0000000 0.1527778), wk = 0.0018382 k( 523) = ( 0.1458333 0.0000000 0.1458333), wk = 0.0018382 k( 524) = ( 0.1388889 0.0000000 0.1388889), wk = 0.0018382 k( 525) = ( 0.1319444 -0.0000000 0.1319444), wk = 0.0018382 k( 526) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0018382 k( 527) = ( 0.1180556 0.0000000 0.1180556), wk = 0.0018382 k( 528) = ( 0.1111111 0.0000000 0.1111111), wk = 0.0018382 k( 529) = ( 0.1041667 0.0000000 0.1041667), wk = 0.0018382 k( 530) = ( 0.0972222 0.0000000 0.0972222), wk = 0.0018382 k( 531) = ( 0.0902778 -0.0000000 0.0902778), wk = 0.0018382 k( 532) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0018382 k( 533) = ( 0.0763889 0.0000000 0.0763889), wk = 0.0018382 k( 534) = ( 0.0694444 0.0000000 0.0694444), wk = 0.0018382 k( 535) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0018382 k( 536) = ( 0.0555556 0.0000000 0.0555556), wk = 0.0018382 k( 537) = ( 0.0486111 0.0000000 0.0486111), wk = 0.0018382 k( 538) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0018382 k( 539) = ( 0.0347222 0.0000000 0.0347222), wk = 0.0018382 k( 540) = ( 0.0277778 0.0000000 0.0277778), wk = 0.0018382 k( 541) = ( 0.0208333 0.0000000 0.0208333), wk = 0.0018382 k( 542) = ( 0.0138889 0.0000000 0.0138889), wk = 0.0018382 k( 543) = ( 0.0069444 0.0000000 0.0069444), wk = 0.0018382 k( 544) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018382 Dense grid: 12981 G-vectors FFT dimensions: ( 27, 27, 45) Smooth grid: 6121 G-vectors FFT dimensions: ( 24, 24, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 40, 30) NL pseudopotentials 0.02 Mb ( 20, 68) Each V/rho on FFT grid 0.02 Mb ( 1458) Each G-vector array 0.00 Mb ( 360) G-vector shells 0.00 Mb ( 360) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 40, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Y.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 3.9 secs Computing kpt #: 8 total cpu time spent up to now is 4.0 secs Computing kpt #: 9 total cpu time spent up to now is 4.1 secs Computing kpt #: 10 total cpu time spent up to now is 4.2 secs Computing kpt #: 11 total cpu time spent up to now is 4.2 secs Computing kpt #: 12 total cpu time spent up to now is 4.3 secs Computing kpt #: 13 total cpu time spent up to now is 4.4 secs Computing kpt #: 14 total cpu time spent up to now is 4.5 secs Computing kpt #: 15 total cpu time spent up to now is 4.6 secs Computing kpt #: 16 total cpu time spent up to now is 4.7 secs Computing kpt #: 17 total cpu time spent up to now is 4.8 secs Computing kpt #: 18 total cpu time spent up to now is 4.9 secs Computing kpt #: 19 total cpu time spent up to now is 4.9 secs Computing kpt #: 20 total cpu time spent up to now is 5.0 secs Computing kpt #: 21 total cpu time spent up to now is 5.1 secs Computing kpt #: 22 total cpu time spent up to now is 5.2 secs Computing kpt #: 23 total cpu time spent up to now is 5.3 secs Computing kpt #: 24 total cpu time spent up to now is 5.4 secs Computing kpt #: 25 total cpu time spent up to now is 5.5 secs Computing kpt #: 26 total cpu time spent up to now is 5.6 secs Computing kpt #: 27 total cpu time spent up to now is 5.6 secs Computing kpt #: 28 total cpu time spent up to now is 5.7 secs Computing kpt #: 29 total cpu time spent up to now is 5.8 secs Computing kpt #: 30 total cpu time spent up to now is 5.9 secs Computing kpt #: 31 total cpu time spent up to now is 6.0 secs Computing kpt #: 32 total cpu time spent up to now is 6.1 secs Computing kpt #: 33 total cpu time spent up to now is 6.2 secs Computing kpt #: 34 total cpu time spent up to now is 6.3 secs Computing kpt #: 35 total cpu time spent up to now is 6.3 secs Computing kpt #: 36 total cpu time spent up to now is 6.4 secs Computing kpt #: 37 total cpu time spent up to now is 6.5 secs Computing kpt #: 38 total cpu time spent up to now is 6.6 secs Computing kpt #: 39 total cpu time spent up to now is 6.7 secs Computing kpt #: 40 total cpu time spent up to now is 6.8 secs Computing kpt #: 41 total cpu time spent up to now is 6.9 secs Computing kpt #: 42 total cpu time spent up to now is 7.0 secs Computing kpt #: 43 total cpu time spent up to now is 7.1 secs Computing kpt #: 44 total cpu time spent up to now is 7.2 secs Computing kpt #: 45 total cpu time spent up to now is 7.3 secs Computing kpt #: 46 total cpu time spent up to now is 7.4 secs Computing kpt #: 47 total cpu time spent up to now is 7.5 secs Computing kpt #: 48 total cpu time spent up to now is 7.5 secs Computing kpt #: 49 total cpu time spent up to now is 7.6 secs Computing kpt #: 50 total cpu time spent up to now is 7.7 secs Computing kpt #: 51 total cpu time spent up to now is 7.8 secs Computing kpt #: 52 total cpu time spent up to now is 7.9 secs Computing kpt #: 53 total cpu time spent up to now is 8.0 secs Computing kpt #: 54 total cpu time spent up to now is 8.1 secs Computing kpt #: 55 total cpu time spent up to now is 8.2 secs Computing kpt #: 56 total cpu time spent up to now is 8.3 secs Computing kpt #: 57 total cpu time spent up to now is 8.4 secs Computing kpt #: 58 total cpu time spent up to now is 8.5 secs Computing kpt #: 59 total cpu time spent up to now is 8.6 secs Computing kpt #: 60 total cpu time spent up to now is 8.8 secs Computing kpt #: 61 total cpu time spent up to now is 8.9 secs Computing kpt #: 62 total cpu time spent up to now is 9.1 secs Computing kpt #: 63 total cpu time spent up to now is 9.2 secs Computing kpt #: 64 total cpu time spent up to now is 9.4 secs Computing kpt #: 65 total cpu time spent up to now is 9.5 secs Computing kpt #: 66 total cpu time spent up to now is 9.7 secs Computing kpt #: 67 total cpu time spent up to now is 9.8 secs Computing kpt #: 68 total cpu time spent up to now is 10.0 secs Computing kpt #: 69 total cpu time spent up to now is 10.1 secs Computing kpt #: 70 total cpu time spent up to now is 10.2 secs Computing kpt #: 71 total cpu time spent up to now is 10.4 secs Computing kpt #: 72 total cpu time spent up to now is 10.5 secs Computing kpt #: 73 total cpu time spent up to now is 10.6 secs Computing kpt #: 74 total cpu time spent up to now is 10.8 secs Computing kpt #: 75 total cpu time spent up to now is 10.9 secs Computing kpt #: 76 total cpu time spent up to now is 11.1 secs Computing kpt #: 77 total cpu time spent up to now is 11.3 secs Computing kpt #: 78 total cpu time spent up to now is 11.4 secs Computing kpt #: 79 total cpu time spent up to now is 11.6 secs Computing kpt #: 80 total cpu time spent up to now is 11.8 secs Computing kpt #: 81 total cpu time spent up to now is 11.9 secs Computing kpt #: 82 total cpu time spent up to now is 12.0 secs Computing kpt #: 83 total cpu time spent up to now is 12.1 secs Computing kpt #: 84 total cpu time spent up to now is 12.2 secs Computing kpt #: 85 total cpu time spent up to now is 12.3 secs Computing kpt #: 86 total cpu time spent up to now is 12.4 secs Computing kpt #: 87 total cpu time spent up to now is 12.5 secs Computing kpt #: 88 total cpu time spent up to now is 12.6 secs Computing kpt #: 89 total cpu time spent up to now is 12.7 secs Computing kpt #: 90 total cpu time spent up to now is 12.8 secs Computing kpt #: 91 total cpu time spent up to now is 12.9 secs Computing kpt #: 92 total cpu time spent up to now is 13.0 secs Computing kpt #: 93 total cpu time spent up to now is 13.1 secs Computing kpt #: 94 total cpu time spent up to now is 13.2 secs Computing kpt #: 95 total cpu time spent up to now is 13.3 secs Computing kpt #: 96 total cpu time spent up to now is 13.4 secs Computing kpt #: 97 total cpu time spent up to now is 13.5 secs Computing kpt #: 98 total cpu time spent up to now is 13.6 secs Computing kpt #: 99 total cpu time spent up to now is 13.7 secs Computing kpt #: 100 total cpu time spent up to now is 13.8 secs Computing kpt #: 101 total cpu time spent up to now is 13.9 secs Computing kpt #: 102 total cpu time spent up to now is 14.0 secs Computing kpt #: 103 total cpu time spent up to now is 14.1 secs Computing kpt #: 104 total cpu time spent up to now is 14.2 secs Computing kpt #: 105 total cpu time spent up to now is 14.3 secs Computing kpt #: 106 total cpu time spent up to now is 14.7 secs Computing kpt #: 107 total cpu time spent up to now is 14.8 secs Computing kpt #: 108 total cpu time spent up to now is 14.9 secs Computing kpt #: 109 total cpu time spent up to now is 15.0 secs Computing kpt #: 110 total cpu time spent up to now is 15.1 secs Computing kpt #: 111 total cpu time spent up to now is 15.2 secs Computing kpt #: 112 total cpu time spent up to now is 15.3 secs Computing kpt #: 113 total cpu time spent up to now is 15.4 secs Computing kpt #: 114 total cpu time spent up to now is 15.5 secs Computing kpt #: 115 total cpu time spent up to now is 15.6 secs Computing kpt #: 116 total cpu time spent up to now is 15.6 secs Computing kpt #: 117 total cpu time spent up to now is 15.7 secs Computing kpt #: 118 total cpu time spent up to now is 15.8 secs Computing kpt #: 119 total cpu time spent up to now is 15.9 secs Computing kpt #: 120 total cpu time spent up to now is 16.0 secs Computing kpt #: 121 total cpu time spent up to now is 16.1 secs Computing kpt #: 122 total cpu time spent up to now is 16.2 secs Computing kpt #: 123 total cpu time spent up to now is 16.3 secs Computing kpt #: 124 total cpu time spent up to now is 16.4 secs Computing kpt #: 125 total cpu time spent up to now is 16.5 secs Computing kpt #: 126 total cpu time spent up to now is 16.6 secs Computing kpt #: 127 total cpu time spent up to now is 16.7 secs Computing kpt #: 128 total cpu time spent up to now is 16.8 secs Computing kpt #: 129 total cpu time spent up to now is 16.9 secs Computing kpt #: 130 total cpu time spent up to now is 17.0 secs Computing kpt #: 131 total cpu time spent up to now is 17.1 secs Computing kpt #: 132 total cpu time spent up to now is 17.2 secs Computing kpt #: 133 total cpu time spent up to now is 17.3 secs Computing kpt #: 134 total cpu time spent up to now is 17.4 secs Computing kpt #: 135 total cpu time spent up to now is 17.5 secs Computing kpt #: 136 total cpu time spent up to now is 17.6 secs Computing kpt #: 137 total cpu time spent up to now is 17.7 secs Computing kpt #: 138 total cpu time spent up to now is 17.9 secs Computing kpt #: 139 total cpu time spent up to now is 18.0 secs Computing kpt #: 140 total cpu time spent up to now is 18.1 secs Computing kpt #: 141 total cpu time spent up to now is 18.2 secs Computing kpt #: 142 total cpu time spent up to now is 18.3 secs Computing kpt #: 143 total cpu time spent up to now is 18.4 secs Computing kpt #: 144 total cpu time spent up to now is 18.5 secs Computing kpt #: 145 total cpu time spent up to now is 18.6 secs Computing kpt #: 146 total cpu time spent up to now is 18.7 secs Computing kpt #: 147 total cpu time spent up to now is 18.8 secs Computing kpt #: 148 total cpu time spent up to now is 18.9 secs Computing kpt #: 149 total cpu time spent up to now is 19.0 secs Computing kpt #: 150 total cpu time spent up to now is 19.1 secs Computing kpt #: 151 total cpu time spent up to now is 19.2 secs Computing kpt #: 152 total cpu time spent up to now is 19.3 secs Computing kpt #: 153 total cpu time spent up to now is 19.4 secs Computing kpt #: 154 total cpu time spent up to now is 19.5 secs Computing kpt #: 155 total cpu time spent up to now is 19.6 secs Computing kpt #: 156 total cpu time spent up to now is 19.6 secs Computing kpt #: 157 total cpu time spent up to now is 19.7 secs Computing kpt #: 158 total cpu time spent up to now is 19.8 secs Computing kpt #: 159 total cpu time spent up to now is 19.9 secs Computing kpt #: 160 total cpu time spent up to now is 20.0 secs Computing kpt #: 161 total cpu time spent up to now is 20.1 secs Computing kpt #: 162 total cpu time spent up to now is 20.2 secs Computing kpt #: 163 total cpu time spent up to now is 20.3 secs Computing kpt #: 164 total cpu time spent up to now is 20.4 secs Computing kpt #: 165 total cpu time spent up to now is 20.5 secs Computing kpt #: 166 total cpu time spent up to now is 20.6 secs Computing kpt #: 167 total cpu time spent up to now is 20.7 secs Computing kpt #: 168 total cpu time spent up to now is 20.8 secs Computing kpt #: 169 total cpu time spent up to now is 20.8 secs Computing kpt #: 170 total cpu time spent up to now is 20.9 secs Computing kpt #: 171 total cpu time spent up to now is 21.0 secs Computing kpt #: 172 total cpu time spent up to now is 21.1 secs Computing kpt #: 173 total cpu time spent up to now is 21.2 secs Computing kpt #: 174 total cpu time spent up to now is 21.3 secs Computing kpt #: 175 total cpu time spent up to now is 21.4 secs Computing kpt #: 176 total cpu time spent up to now is 21.5 secs Computing kpt #: 177 total cpu time spent up to now is 21.6 secs Computing kpt #: 178 total cpu time spent up to now is 21.7 secs Computing kpt #: 179 total cpu time spent up to now is 21.8 secs Computing kpt #: 180 total cpu time spent up to now is 21.9 secs Computing kpt #: 181 total cpu time spent up to now is 22.0 secs Computing kpt #: 182 total cpu time spent up to now is 22.1 secs Computing kpt #: 183 total cpu time spent up to now is 22.2 secs Computing kpt #: 184 total cpu time spent up to now is 22.3 secs Computing kpt #: 185 total cpu time spent up to now is 22.4 secs Computing kpt #: 186 total cpu time spent up to now is 22.5 secs Computing kpt #: 187 total cpu time spent up to now is 22.6 secs Computing kpt #: 188 total cpu time spent up to now is 22.7 secs Computing kpt #: 189 total cpu time spent up to now is 22.7 secs Computing kpt #: 190 total cpu time spent up to now is 22.8 secs Computing kpt #: 191 total cpu time spent up to now is 22.9 secs Computing kpt #: 192 total cpu time spent up to now is 23.0 secs Computing kpt #: 193 total cpu time spent up to now is 23.1 secs Computing kpt #: 194 total cpu time spent up to now is 23.2 secs Computing kpt #: 195 total cpu time spent up to now is 23.3 secs Computing kpt #: 196 total cpu time spent up to now is 23.3 secs Computing kpt #: 197 total cpu time spent up to now is 23.4 secs Computing kpt #: 198 total cpu time spent up to now is 23.5 secs Computing kpt #: 199 total cpu time spent up to now is 23.6 secs Computing kpt #: 200 total cpu time spent up to now is 23.7 secs Computing kpt #: 201 total cpu time spent up to now is 23.8 secs Computing kpt #: 202 total cpu time spent up to now is 23.9 secs Computing kpt #: 203 total cpu time spent up to now is 24.0 secs Computing kpt #: 204 total cpu time spent up to now is 24.0 secs Computing kpt #: 205 total cpu time spent up to now is 24.1 secs Computing kpt #: 206 total cpu time spent up to now is 24.3 secs Computing kpt #: 207 total cpu time spent up to now is 24.4 secs Computing kpt #: 208 total cpu time spent up to now is 24.5 secs Computing kpt #: 209 total cpu time spent up to now is 24.6 secs Computing kpt #: 210 total cpu time spent up to now is 24.7 secs Computing kpt #: 211 total cpu time spent up to now is 24.8 secs Computing kpt #: 212 total cpu time spent up to now is 24.8 secs Computing kpt #: 213 total cpu time spent up to now is 24.9 secs Computing kpt #: 214 total cpu time spent up to now is 25.0 secs Computing kpt #: 215 total cpu time spent up to now is 25.1 secs Computing kpt #: 216 total cpu time spent up to now is 25.2 secs Computing kpt #: 217 total cpu time spent up to now is 25.3 secs Computing kpt #: 218 total cpu time spent up to now is 25.3 secs Computing kpt #: 219 total cpu time spent up to now is 25.4 secs Computing kpt #: 220 total cpu time spent up to now is 25.5 secs Computing kpt #: 221 total cpu time spent up to now is 25.6 secs Computing kpt #: 222 total cpu time spent up to now is 25.7 secs Computing kpt #: 223 total cpu time spent up to now is 25.8 secs Computing kpt #: 224 total cpu time spent up to now is 25.8 secs Computing kpt #: 225 total cpu time spent up to now is 25.9 secs Computing kpt #: 226 total cpu time spent up to now is 26.0 secs Computing kpt #: 227 total cpu time spent up to now is 26.1 secs Computing kpt #: 228 total cpu time spent up to now is 26.2 secs Computing kpt #: 229 total cpu time spent up to now is 26.2 secs Computing kpt #: 230 total cpu time spent up to now is 26.3 secs Computing kpt #: 231 total cpu time spent up to now is 26.4 secs Computing kpt #: 232 total cpu time spent up to now is 26.5 secs Computing kpt #: 233 total cpu time spent up to now is 26.6 secs Computing kpt #: 234 total cpu time spent up to now is 26.7 secs Computing kpt #: 235 total cpu time spent up to now is 26.7 secs Computing kpt #: 236 total cpu time spent up to now is 26.8 secs Computing kpt #: 237 total cpu time spent up to now is 26.9 secs Computing kpt #: 238 total cpu time spent up to now is 27.0 secs Computing kpt #: 239 total cpu time spent up to now is 27.1 secs Computing kpt #: 240 total cpu time spent up to now is 27.2 secs Computing kpt #: 241 total cpu time spent up to now is 27.3 secs Computing kpt #: 242 total cpu time spent up to now is 27.4 secs Computing kpt #: 243 total cpu time spent up to now is 27.4 secs Computing kpt #: 244 total cpu time spent up to now is 27.5 secs Computing kpt #: 245 total cpu time spent up to now is 27.6 secs Computing kpt #: 246 total cpu time spent up to now is 27.7 secs Computing kpt #: 247 total cpu time spent up to now is 27.8 secs Computing kpt #: 248 total cpu time spent up to now is 27.9 secs Computing kpt #: 249 total cpu time spent up to now is 27.9 secs Computing kpt #: 250 total cpu time spent up to now is 28.0 secs Computing kpt #: 251 total cpu time spent up to now is 28.1 secs Computing kpt #: 252 total cpu time spent up to now is 28.2 secs Computing kpt #: 253 total cpu time spent up to now is 28.3 secs Computing kpt #: 254 total cpu time spent up to now is 28.4 secs Computing kpt #: 255 total cpu time spent up to now is 28.4 secs Computing kpt #: 256 total cpu time spent up to now is 28.5 secs Computing kpt #: 257 total cpu time spent up to now is 28.6 secs Computing kpt #: 258 total cpu time spent up to now is 28.7 secs Computing kpt #: 259 total cpu time spent up to now is 28.8 secs Computing kpt #: 260 total cpu time spent up to now is 28.9 secs Computing kpt #: 261 total cpu time spent up to now is 28.9 secs Computing kpt #: 262 total cpu time spent up to now is 29.1 secs Computing kpt #: 263 total cpu time spent up to now is 29.2 secs Computing kpt #: 264 total cpu time spent up to now is 29.3 secs Computing kpt #: 265 total cpu time spent up to now is 29.3 secs Computing kpt #: 266 total cpu time spent up to now is 29.4 secs Computing kpt #: 267 total cpu time spent up to now is 29.5 secs Computing kpt #: 268 total cpu time spent up to now is 29.6 secs Computing kpt #: 269 total cpu time spent up to now is 29.7 secs Computing kpt #: 270 total cpu time spent up to now is 29.8 secs Computing kpt #: 271 total cpu time spent up to now is 29.8 secs Computing kpt #: 272 total cpu time spent up to now is 29.9 secs Computing kpt #: 273 total cpu time spent up to now is 30.0 secs Computing kpt #: 274 total cpu time spent up to now is 30.1 secs Computing kpt #: 275 total cpu time spent up to now is 30.2 secs Computing kpt #: 276 total cpu time spent up to now is 30.3 secs Computing kpt #: 277 total cpu time spent up to now is 30.4 secs Computing kpt #: 278 total cpu time spent up to now is 30.4 secs Computing kpt #: 279 total cpu time spent up to now is 30.5 secs Computing kpt #: 280 total cpu time spent up to now is 30.6 secs Computing kpt #: 281 total cpu time spent up to now is 30.7 secs Computing kpt #: 282 total cpu time spent up to now is 30.8 secs Computing kpt #: 283 total cpu time spent up to now is 30.9 secs Computing kpt #: 284 total cpu time spent up to now is 31.0 secs Computing kpt #: 285 total cpu time spent up to now is 31.0 secs Computing kpt #: 286 total cpu time spent up to now is 31.1 secs Computing kpt #: 287 total cpu time spent up to now is 31.2 secs Computing kpt #: 288 total cpu time spent up to now is 31.3 secs Computing kpt #: 289 total cpu time spent up to now is 31.4 secs Computing kpt #: 290 total cpu time spent up to now is 31.5 secs Computing kpt #: 291 total cpu time spent up to now is 31.7 secs Computing kpt #: 292 total cpu time spent up to now is 31.8 secs Computing kpt #: 293 total cpu time spent up to now is 31.9 secs Computing kpt #: 294 total cpu time spent up to now is 32.0 secs Computing kpt #: 295 total cpu time spent up to now is 32.1 secs Computing kpt #: 296 total cpu time spent up to now is 32.2 secs Computing kpt #: 297 total cpu time spent up to now is 32.3 secs Computing kpt #: 298 total cpu time spent up to now is 32.4 secs Computing kpt #: 299 total cpu time spent up to now is 32.5 secs Computing kpt #: 300 total cpu time spent up to now is 32.7 secs Computing kpt #: 301 total cpu time spent up to now is 32.8 secs Computing kpt #: 302 total cpu time spent up to now is 32.9 secs Computing kpt #: 303 total cpu time spent up to now is 33.0 secs Computing kpt #: 304 total cpu time spent up to now is 33.1 secs Computing kpt #: 305 total cpu time spent up to now is 33.2 secs Computing kpt #: 306 total cpu time spent up to now is 33.3 secs Computing kpt #: 307 total cpu time spent up to now is 33.4 secs Computing kpt #: 308 total cpu time spent up to now is 33.5 secs Computing kpt #: 309 total cpu time spent up to now is 33.6 secs Computing kpt #: 310 total cpu time spent up to now is 33.7 secs Computing kpt #: 311 total cpu time spent up to now is 33.8 secs Computing kpt #: 312 total cpu time spent up to now is 33.9 secs Computing kpt #: 313 total cpu time spent up to now is 34.0 secs Computing kpt #: 314 total cpu time spent up to now is 34.1 secs Computing kpt #: 315 total cpu time spent up to now is 34.2 secs Computing kpt #: 316 total cpu time spent up to now is 34.3 secs Computing kpt #: 317 total cpu time spent up to now is 34.4 secs Computing kpt #: 318 total cpu time spent up to now is 34.5 secs Computing kpt #: 319 total cpu time spent up to now is 34.6 secs Computing kpt #: 320 total cpu time spent up to now is 34.7 secs Computing kpt #: 321 total cpu time spent up to now is 34.8 secs Computing kpt #: 322 total cpu time spent up to now is 34.9 secs Computing kpt #: 323 total cpu time spent up to now is 34.9 secs Computing kpt #: 324 total cpu time spent up to now is 35.0 secs Computing kpt #: 325 total cpu time spent up to now is 35.1 secs Computing kpt #: 326 total cpu time spent up to now is 35.2 secs Computing kpt #: 327 total cpu time spent up to now is 35.3 secs Computing kpt #: 328 total cpu time spent up to now is 35.4 secs Computing kpt #: 329 total cpu time spent up to now is 35.5 secs Computing kpt #: 330 total cpu time spent up to now is 35.6 secs Computing kpt #: 331 total cpu time spent up to now is 35.7 secs Computing kpt #: 332 total cpu time spent up to now is 35.8 secs Computing kpt #: 333 total cpu time spent up to now is 35.9 secs Computing kpt #: 334 total cpu time spent up to now is 36.0 secs Computing kpt #: 335 total cpu time spent up to now is 36.1 secs Computing kpt #: 336 total cpu time spent up to now is 36.2 secs Computing kpt #: 337 total cpu time spent up to now is 36.2 secs Computing kpt #: 338 total cpu time spent up to now is 36.3 secs Computing kpt #: 339 total cpu time spent up to now is 36.4 secs Computing kpt #: 340 total cpu time spent up to now is 36.5 secs Computing kpt #: 341 total cpu time spent up to now is 36.6 secs Computing kpt #: 342 total cpu time spent up to now is 36.7 secs Computing kpt #: 343 total cpu time spent up to now is 36.8 secs Computing kpt #: 344 total cpu time spent up to now is 36.9 secs Computing kpt #: 345 total cpu time spent up to now is 37.0 secs Computing kpt #: 346 total cpu time spent up to now is 37.1 secs Computing kpt #: 347 total cpu time spent up to now is 37.1 secs Computing kpt #: 348 total cpu time spent up to now is 37.2 secs Computing kpt #: 349 total cpu time spent up to now is 37.3 secs Computing kpt #: 350 total cpu time spent up to now is 37.4 secs Computing kpt #: 351 total cpu time spent up to now is 37.5 secs Computing kpt #: 352 total cpu time spent up to now is 37.6 secs Computing kpt #: 353 total cpu time spent up to now is 37.7 secs Computing kpt #: 354 total cpu time spent up to now is 37.8 secs Computing kpt #: 355 total cpu time spent up to now is 37.9 secs Computing kpt #: 356 total cpu time spent up to now is 38.0 secs Computing kpt #: 357 total cpu time spent up to now is 38.0 secs Computing kpt #: 358 total cpu time spent up to now is 38.1 secs Computing kpt #: 359 total cpu time spent up to now is 38.2 secs Computing kpt #: 360 total cpu time spent up to now is 38.3 secs Computing kpt #: 361 total cpu time spent up to now is 38.4 secs Computing kpt #: 362 total cpu time spent up to now is 38.5 secs Computing kpt #: 363 total cpu time spent up to now is 38.6 secs Computing kpt #: 364 total cpu time spent up to now is 38.6 secs Computing kpt #: 365 total cpu time spent up to now is 38.7 secs Computing kpt #: 366 total cpu time spent up to now is 38.8 secs Computing kpt #: 367 total cpu time spent up to now is 38.9 secs Computing kpt #: 368 total cpu time spent up to now is 39.0 secs Computing kpt #: 369 total cpu time spent up to now is 39.1 secs Computing kpt #: 370 total cpu time spent up to now is 39.2 secs Computing kpt #: 371 total cpu time spent up to now is 39.4 secs Computing kpt #: 372 total cpu time spent up to now is 39.5 secs Computing kpt #: 373 total cpu time spent up to now is 39.6 secs Computing kpt #: 374 total cpu time spent up to now is 39.7 secs Computing kpt #: 375 total cpu time spent up to now is 39.8 secs Computing kpt #: 376 total cpu time spent up to now is 39.9 secs Computing kpt #: 377 total cpu time spent up to now is 39.9 secs Computing kpt #: 378 total cpu time spent up to now is 40.0 secs Computing kpt #: 379 total cpu time spent up to now is 40.1 secs Computing kpt #: 380 total cpu time spent up to now is 40.2 secs Computing kpt #: 381 total cpu time spent up to now is 40.3 secs Computing kpt #: 382 total cpu time spent up to now is 40.4 secs Computing kpt #: 383 total cpu time spent up to now is 40.5 secs Computing kpt #: 384 total cpu time spent up to now is 40.6 secs Computing kpt #: 385 total cpu time spent up to now is 40.6 secs Computing kpt #: 386 total cpu time spent up to now is 40.8 secs Computing kpt #: 387 total cpu time spent up to now is 40.9 secs Computing kpt #: 388 total cpu time spent up to now is 41.0 secs Computing kpt #: 389 total cpu time spent up to now is 41.1 secs Computing kpt #: 390 total cpu time spent up to now is 41.2 secs Computing kpt #: 391 total cpu time spent up to now is 41.3 secs Computing kpt #: 392 total cpu time spent up to now is 41.4 secs Computing kpt #: 393 total cpu time spent up to now is 41.5 secs Computing kpt #: 394 total cpu time spent up to now is 41.6 secs Computing kpt #: 395 total cpu time spent up to now is 41.7 secs Computing kpt #: 396 total cpu time spent up to now is 41.8 secs Computing kpt #: 397 total cpu time spent up to now is 41.9 secs Computing kpt #: 398 total cpu time spent up to now is 41.9 secs Computing kpt #: 399 total cpu time spent up to now is 42.0 secs Computing kpt #: 400 total cpu time spent up to now is 42.1 secs Computing kpt #: 401 total cpu time spent up to now is 42.2 secs Computing kpt #: 402 total cpu time spent up to now is 42.3 secs Computing kpt #: 403 total cpu time spent up to now is 42.4 secs Computing kpt #: 404 total cpu time spent up to now is 42.5 secs Computing kpt #: 405 total cpu time spent up to now is 42.6 secs Computing kpt #: 406 total cpu time spent up to now is 42.6 secs Computing kpt #: 407 total cpu time spent up to now is 42.7 secs Computing kpt #: 408 total cpu time spent up to now is 42.8 secs Computing kpt #: 409 total cpu time spent up to now is 42.9 secs Computing kpt #: 410 total cpu time spent up to now is 43.0 secs Computing kpt #: 411 total cpu time spent up to now is 43.1 secs Computing kpt #: 412 total cpu time spent up to now is 43.2 secs Computing kpt #: 413 total cpu time spent up to now is 43.3 secs Computing kpt #: 414 total cpu time spent up to now is 43.4 secs Computing kpt #: 415 total cpu time spent up to now is 43.5 secs Computing kpt #: 416 total cpu time spent up to now is 43.6 secs Computing kpt #: 417 total cpu time spent up to now is 43.7 secs Computing kpt #: 418 total cpu time spent up to now is 43.7 secs Computing kpt #: 419 total cpu time spent up to now is 43.8 secs Computing kpt #: 420 total cpu time spent up to now is 43.9 secs Computing kpt #: 421 total cpu time spent up to now is 44.0 secs Computing kpt #: 422 total cpu time spent up to now is 44.1 secs Computing kpt #: 423 total cpu time spent up to now is 44.2 secs Computing kpt #: 424 total cpu time spent up to now is 44.3 secs Computing kpt #: 425 total cpu time spent up to now is 44.4 secs Computing kpt #: 426 total cpu time spent up to now is 44.5 secs Computing kpt #: 427 total cpu time spent up to now is 44.6 secs Computing kpt #: 428 total cpu time spent up to now is 44.7 secs Computing kpt #: 429 total cpu time spent up to now is 44.7 secs Computing kpt #: 430 total cpu time spent up to now is 44.8 secs Computing kpt #: 431 total cpu time spent up to now is 44.9 secs Computing kpt #: 432 total cpu time spent up to now is 45.0 secs Computing kpt #: 433 total cpu time spent up to now is 45.1 secs Computing kpt #: 434 total cpu time spent up to now is 45.2 secs Computing kpt #: 435 total cpu time spent up to now is 45.3 secs Computing kpt #: 436 total cpu time spent up to now is 45.4 secs Computing kpt #: 437 total cpu time spent up to now is 45.5 secs Computing kpt #: 438 total cpu time spent up to now is 45.6 secs Computing kpt #: 439 total cpu time spent up to now is 45.7 secs Computing kpt #: 440 total cpu time spent up to now is 45.7 secs Computing kpt #: 441 total cpu time spent up to now is 45.8 secs Computing kpt #: 442 total cpu time spent up to now is 45.9 secs Computing kpt #: 443 total cpu time spent up to now is 46.0 secs Computing kpt #: 444 total cpu time spent up to now is 46.1 secs Computing kpt #: 445 total cpu time spent up to now is 46.2 secs Computing kpt #: 446 total cpu time spent up to now is 46.3 secs Computing kpt #: 447 total cpu time spent up to now is 46.4 secs Computing kpt #: 448 total cpu time spent up to now is 46.5 secs Computing kpt #: 449 total cpu time spent up to now is 46.6 secs Computing kpt #: 450 total cpu time spent up to now is 46.6 secs Computing kpt #: 451 total cpu time spent up to now is 46.7 secs Computing kpt #: 452 total cpu time spent up to now is 46.8 secs Computing kpt #: 453 total cpu time spent up to now is 46.9 secs Computing kpt #: 454 total cpu time spent up to now is 47.0 secs Computing kpt #: 455 total cpu time spent up to now is 47.1 secs Computing kpt #: 456 total cpu time spent up to now is 47.2 secs Computing kpt #: 457 total cpu time spent up to now is 47.3 secs Computing kpt #: 458 total cpu time spent up to now is 47.4 secs Computing kpt #: 459 total cpu time spent up to now is 47.5 secs Computing kpt #: 460 total cpu time spent up to now is 47.6 secs Computing kpt #: 461 total cpu time spent up to now is 47.7 secs Computing kpt #: 462 total cpu time spent up to now is 47.8 secs Computing kpt #: 463 total cpu time spent up to now is 47.9 secs Computing kpt #: 464 total cpu time spent up to now is 47.9 secs Computing kpt #: 465 total cpu time spent up to now is 48.0 secs Computing kpt #: 466 total cpu time spent up to now is 48.1 secs Computing kpt #: 467 total cpu time spent up to now is 48.2 secs Computing kpt #: 468 total cpu time spent up to now is 48.3 secs Computing kpt #: 469 total cpu time spent up to now is 48.4 secs Computing kpt #: 470 total cpu time spent up to now is 48.5 secs Computing kpt #: 471 total cpu time spent up to now is 48.6 secs Computing kpt #: 472 total cpu time spent up to now is 48.7 secs Computing kpt #: 473 total cpu time spent up to now is 48.8 secs Computing kpt #: 474 total cpu time spent up to now is 48.9 secs Computing kpt #: 475 total cpu time spent up to now is 49.0 secs Computing kpt #: 476 total cpu time spent up to now is 49.1 secs Computing kpt #: 477 total cpu time spent up to now is 49.2 secs Computing kpt #: 478 total cpu time spent up to now is 49.3 secs Computing kpt #: 479 total cpu time spent up to now is 49.4 secs Computing kpt #: 480 total cpu time spent up to now is 49.7 secs Computing kpt #: 481 total cpu time spent up to now is 49.8 secs Computing kpt #: 482 total cpu time spent up to now is 49.9 secs Computing kpt #: 483 total cpu time spent up to now is 50.0 secs Computing kpt #: 484 total cpu time spent up to now is 50.1 secs Computing kpt #: 485 total cpu time spent up to now is 50.2 secs Computing kpt #: 486 total cpu time spent up to now is 50.3 secs Computing kpt #: 487 total cpu time spent up to now is 50.4 secs Computing kpt #: 488 total cpu time spent up to now is 50.5 secs Computing kpt #: 489 total cpu time spent up to now is 50.6 secs Computing kpt #: 490 total cpu time spent up to now is 50.7 secs Computing kpt #: 491 total cpu time spent up to now is 50.7 secs Computing kpt #: 492 total cpu time spent up to now is 50.8 secs Computing kpt #: 493 total cpu time spent up to now is 50.9 secs Computing kpt #: 494 total cpu time spent up to now is 51.0 secs Computing kpt #: 495 total cpu time spent up to now is 51.1 secs Computing kpt #: 496 total cpu time spent up to now is 51.2 secs Computing kpt #: 497 total cpu time spent up to now is 51.3 secs Computing kpt #: 498 total cpu time spent up to now is 51.4 secs Computing kpt #: 499 total cpu time spent up to now is 51.5 secs Computing kpt #: 500 total cpu time spent up to now is 51.5 secs Computing kpt #: 501 total cpu time spent up to now is 51.6 secs Computing kpt #: 502 total cpu time spent up to now is 51.7 secs Computing kpt #: 503 total cpu time spent up to now is 51.8 secs Computing kpt #: 504 total cpu time spent up to now is 51.9 secs Computing kpt #: 505 total cpu time spent up to now is 52.0 secs Computing kpt #: 506 total cpu time spent up to now is 52.5 secs Computing kpt #: 507 total cpu time spent up to now is 52.6 secs Computing kpt #: 508 total cpu time spent up to now is 52.6 secs Computing kpt #: 509 total cpu time spent up to now is 52.7 secs Computing kpt #: 510 total cpu time spent up to now is 52.8 secs Computing kpt #: 511 total cpu time spent up to now is 52.9 secs Computing kpt #: 512 total cpu time spent up to now is 53.0 secs Computing kpt #: 513 total cpu time spent up to now is 53.1 secs Computing kpt #: 514 total cpu time spent up to now is 53.2 secs Computing kpt #: 515 total cpu time spent up to now is 53.3 secs Computing kpt #: 516 total cpu time spent up to now is 53.3 secs Computing kpt #: 517 total cpu time spent up to now is 53.4 secs Computing kpt #: 518 total cpu time spent up to now is 53.5 secs Computing kpt #: 519 total cpu time spent up to now is 53.6 secs Computing kpt #: 520 total cpu time spent up to now is 53.7 secs Computing kpt #: 521 total cpu time spent up to now is 53.8 secs Computing kpt #: 522 total cpu time spent up to now is 53.9 secs Computing kpt #: 523 total cpu time spent up to now is 54.0 secs Computing kpt #: 524 total cpu time spent up to now is 54.1 secs Computing kpt #: 525 total cpu time spent up to now is 54.2 secs Computing kpt #: 526 total cpu time spent up to now is 54.3 secs Computing kpt #: 527 total cpu time spent up to now is 54.4 secs Computing kpt #: 528 total cpu time spent up to now is 54.4 secs Computing kpt #: 529 total cpu time spent up to now is 54.5 secs Computing kpt #: 530 total cpu time spent up to now is 54.6 secs Computing kpt #: 531 total cpu time spent up to now is 54.7 secs Computing kpt #: 532 total cpu time spent up to now is 54.8 secs Computing kpt #: 533 total cpu time spent up to now is 54.9 secs Computing kpt #: 534 total cpu time spent up to now is 55.0 secs Computing kpt #: 535 total cpu time spent up to now is 55.1 secs Computing kpt #: 536 total cpu time spent up to now is 55.2 secs Computing kpt #: 537 total cpu time spent up to now is 55.3 secs Computing kpt #: 538 total cpu time spent up to now is 55.3 secs Computing kpt #: 539 total cpu time spent up to now is 55.4 secs Computing kpt #: 540 total cpu time spent up to now is 55.5 secs Computing kpt #: 541 total cpu time spent up to now is 55.6 secs Computing kpt #: 542 total cpu time spent up to now is 55.7 secs Computing kpt #: 543 total cpu time spent up to now is 55.8 secs Computing kpt #: 544 total cpu time spent up to now is 55.8 secs ethr = 4.55E-08, avg # of iterations = 11.8 total cpu time spent up to now is 55.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 771 PWs) bands (ev): -23.6831 -23.6831 -15.2595 -15.2595 -4.5954 -4.5954 0.6817 0.6817 1.7436 1.7436 4.4990 4.4990 5.5828 5.5828 11.2176 11.2176 18.3041 18.3041 22.5880 22.5880 22.8140 22.8140 23.6554 23.6554 25.1704 25.1704 25.9843 25.9843 27.3392 27.3392 k = 0.0072 0.0044-0.0021 ( 768 PWs) bands (ev): -23.6826 -23.6826 -15.2592 -15.2592 -4.5949 -4.5949 0.6803 0.6803 1.7412 1.7412 4.4984 4.4984 5.5824 5.5824 11.2164 11.2164 18.3065 18.3065 22.5796 22.5796 22.8280 22.8280 23.6580 23.6580 25.1618 25.1618 25.9843 25.9843 27.3418 27.3418 k = 0.0145 0.0087-0.0042 ( 770 PWs) bands (ev): -23.6815 -23.6815 -15.2586 -15.2586 -4.5933 -4.5933 0.6761 0.6761 1.7341 1.7341 4.4966 4.4966 5.5811 5.5811 11.2127 11.2127 18.3136 18.3136 22.5593 22.5593 22.8649 22.8649 23.6660 23.6660 25.1363 25.1363 25.9844 25.9844 27.3491 27.3491 k = 0.0217 0.0131-0.0064 ( 766 PWs) bands (ev): -23.6795 -23.6795 -15.2576 -15.2576 -4.5906 -4.5906 0.6691 0.6691 1.7224 1.7224 4.4936 4.4936 5.5791 5.5791 11.2066 11.2066 18.3255 18.3255 22.5346 22.5346 22.9172 22.9172 23.6792 23.6792 25.0949 25.0949 25.9844 25.9844 27.3604 27.3604 k = 0.0290 0.0174-0.0085 ( 768 PWs) bands (ev): -23.6768 -23.6768 -15.2562 -15.2562 -4.5869 -4.5869 0.6593 0.6593 1.7061 1.7061 4.4893 4.4893 5.5763 5.5763 11.1981 11.1981 18.3422 18.3422 22.5101 22.5101 22.9799 22.9799 23.6977 23.6977 25.0391 25.0391 25.9842 25.9842 27.3742 27.3742 k = 0.0362 0.0218-0.0106 ( 768 PWs) bands (ev): -23.6733 -23.6733 -15.2543 -15.2543 -4.5821 -4.5821 0.6467 0.6467 1.6855 1.6855 4.4837 4.4837 5.5726 5.5726 11.1872 11.1872 18.3635 18.3635 22.4882 22.4882 23.0507 23.0507 23.7215 23.7215 24.9707 24.9707 25.9836 25.9836 27.3893 27.3893 k = 0.0435 0.0262-0.0127 ( 766 PWs) bands (ev): -23.6690 -23.6690 -15.2520 -15.2520 -4.5762 -4.5762 0.6311 0.6311 1.6608 1.6608 4.4767 4.4767 5.5681 5.5681 11.1739 11.1739 18.3895 18.3895 22.4697 22.4697 23.1281 23.1281 23.7505 23.7505 24.8917 24.8917 25.9825 25.9825 27.4040 27.4040 k = 0.0507 0.0305-0.0148 ( 766 PWs) bands (ev): -23.6640 -23.6640 -15.2493 -15.2493 -4.5693 -4.5693 0.6127 0.6127 1.6322 1.6322 4.4683 4.4683 5.5627 5.5627 11.1584 11.1584 18.4201 18.4201 22.4551 22.4551 23.2113 23.2113 23.7848 23.7848 24.8042 24.8042 25.9806 25.9806 27.4171 27.4171 k = 0.0580 0.0349-0.0170 ( 764 PWs) bands (ev): -23.6582 -23.6582 -15.2462 -15.2462 -4.5614 -4.5614 0.5913 0.5913 1.6001 1.6001 4.4583 4.4583 5.5564 5.5564 11.1405 11.1405 18.4553 18.4553 22.4444 22.4444 23.2997 23.2997 23.8243 23.8243 24.7101 24.7101 25.9776 25.9776 27.4272 27.4272 k = 0.0652 0.0393-0.0191 ( 764 PWs) bands (ev): -23.6517 -23.6517 -15.2427 -15.2427 -4.5524 -4.5524 0.5669 0.5669 1.5648 1.5648 4.4468 4.4468 5.5493 5.5493 11.1205 11.1205 18.4948 18.4948 22.4375 22.4375 23.3927 23.3927 23.8689 23.8689 24.6116 24.6116 25.9732 25.9732 27.4337 27.4337 k = 0.0725 0.0436-0.0212 ( 760 PWs) bands (ev): -23.6444 -23.6444 -15.2388 -15.2388 -4.5425 -4.5425 0.5393 0.5393 1.5267 1.5267 4.4335 4.4335 5.5413 5.5413 11.0984 11.0984 18.5386 18.5386 22.4344 22.4344 23.4895 23.4895 23.9185 23.9185 24.5105 24.5105 25.9671 25.9671 27.4359 27.4359 k = 0.0797 0.0480-0.0233 ( 760 PWs) bands (ev): -23.6364 -23.6364 -15.2346 -15.2346 -4.5316 -4.5316 0.5087 0.5087 1.4860 1.4860 4.4184 4.4184 5.5324 5.5324 11.0742 11.0742 18.5865 18.5865 22.4346 22.4346 23.5887 23.5887 23.9729 23.9729 24.4096 24.4096 25.9590 25.9590 27.4335 27.4335 k = 0.0870 0.0523-0.0255 ( 762 PWs) bands (ev): -23.6278 -23.6278 -15.2299 -15.2299 -4.5197 -4.5197 0.4749 0.4749 1.4433 1.4433 4.4014 4.4014 5.5227 5.5227 11.0481 11.0481 18.6383 18.6383 22.4378 22.4378 23.6884 23.6884 24.0313 24.0313 24.3126 24.3126 25.9487 25.9487 27.4267 27.4267 k = 0.0942 0.0567-0.0276 ( 762 PWs) bands (ev): -23.6184 -23.6184 -15.2250 -15.2250 -4.5069 -4.5069 0.4378 0.4378 1.3989 1.3989 4.3825 4.3825 5.5121 5.5121 11.0200 11.0200 18.6936 18.6936 22.4436 22.4436 23.7829 23.7829 24.0908 24.0908 24.2291 24.2291 25.9358 25.9358 27.4156 27.4156 k = 0.1014 0.0611-0.0297 ( 762 PWs) bands (ev): -23.6084 -23.6084 -15.2197 -15.2197 -4.4932 -4.4932 0.3975 0.3975 1.3532 1.3532 4.3615 4.3615 5.5008 5.5008 10.9901 10.9901 18.7522 18.7522 22.4516 22.4516 23.8550 23.8550 24.1266 24.1266 24.2016 24.2016 25.9202 25.9202 27.4008 27.4008 k = 0.1087 0.0654-0.0318 ( 762 PWs) bands (ev): -23.5977 -23.5977 -15.2140 -15.2140 -4.4786 -4.4786 0.3538 0.3538 1.3066 1.3066 4.3384 4.3384 5.4887 5.4887 10.9585 10.9585 18.8136 18.8136 22.4612 22.4612 23.8651 23.8651 24.1506 24.1506 24.2588 24.2588 25.9017 25.9017 27.3829 27.3829 k = 0.1159 0.0698-0.0339 ( 764 PWs) bands (ev): -23.5864 -23.5864 -15.2081 -15.2081 -4.4631 -4.4631 0.3069 0.3069 1.2593 1.2593 4.3132 4.3132 5.4759 5.4759 10.9253 10.9253 18.8774 18.8774 22.4716 22.4716 23.8139 23.8139 24.2274 24.2274 24.3358 24.3358 25.8802 25.8802 27.3628 27.3628 k = 0.1232 0.0742-0.0361 ( 765 PWs) bands (ev): -23.5745 -23.5745 -15.2018 -15.2018 -4.4468 -4.4468 0.2567 0.2567 1.2117 1.2117 4.2858 4.2858 5.4625 5.4625 10.8905 10.8905 18.9430 18.9430 22.4824 22.4824 23.7427 23.7427 24.3289 24.3289 24.4201 24.4201 25.8556 25.8556 27.3414 27.3414 k = 0.1304 0.0785-0.0382 ( 765 PWs) bands (ev): -23.5619 -23.5619 -15.1953 -15.1953 -4.4296 -4.4296 0.2033 0.2033 1.1641 1.1641 4.2561 4.2561 5.4485 5.4485 10.8543 10.8543 19.0097 19.0097 22.4926 22.4926 23.6705 23.6705 24.4383 24.4383 24.5100 24.5100 25.8281 25.8281 27.3198 27.3198 k = 0.1377 0.0829-0.0403 ( 761 PWs) bands (ev): -23.5487 -23.5487 -15.1884 -15.1884 -4.4117 -4.4117 0.1467 0.1467 1.1167 1.1167 4.2243 4.2243 5.4340 5.4340 10.8167 10.8167 19.0767 19.0767 22.5017 22.5017 23.6041 23.6041 24.5497 24.5497 24.6048 24.6048 25.7978 25.7978 27.2993 27.2993 k = 0.1449 0.0872-0.0424 ( 759 PWs) bands (ev): -23.5350 -23.5350 -15.1812 -15.1812 -4.3931 -4.3931 0.0873 0.0873 1.0698 1.0698 4.1902 4.1902 5.4190 5.4190 10.7779 10.7779 19.1430 19.1430 22.5091 22.5091 23.5467 23.5467 24.6604 24.6604 24.7038 24.7038 25.7650 25.7650 27.2812 27.2812 k = 0.1522 0.0916-0.0445 ( 761 PWs) bands (ev): -23.5208 -23.5208 -15.1739 -15.1739 -4.3738 -4.3738 0.0249 0.0249 1.0233 1.0233 4.1538 4.1538 5.4037 5.4037 10.7378 10.7378 19.2078 19.2078 22.5147 22.5147 23.5002 23.5002 24.7686 24.7686 24.8061 24.8061 25.7302 25.7302 27.2671 27.2671 k = 0.1594 0.0960-0.0467 ( 761 PWs) bands (ev): -23.5061 -23.5061 -15.1663 -15.1663 -4.3537 -4.3537 -0.0400 -0.0400 0.9776 0.9776 4.1154 4.1154 5.3881 5.3881 10.6968 10.6968 19.2699 19.2699 22.5188 22.5188 23.4657 23.4657 24.8726 24.8726 24.9108 24.9108 25.6944 25.6944 27.2585 27.2585 k = 0.1667 0.1003-0.0488 ( 761 PWs) bands (ev): -23.4908 -23.4908 -15.1585 -15.1585 -4.3331 -4.3331 -0.1073 -0.1073 0.9326 0.9326 4.0748 4.0748 5.3722 5.3722 10.6547 10.6547 19.3280 19.3280 22.5224 22.5224 23.4435 23.4435 24.9695 24.9695 25.0175 25.0175 25.6590 25.6590 27.2569 27.2569 k = 0.1739 0.1047-0.0509 ( 762 PWs) bands (ev): -23.4751 -23.4751 -15.1505 -15.1505 -4.3118 -4.3118 -0.1769 -0.1769 0.8884 0.8884 4.0322 4.0322 5.3562 5.3562 10.6118 10.6118 19.3808 19.3808 22.5268 22.5268 23.4332 23.4332 25.0569 25.0569 25.1237 25.1237 25.6273 25.6273 27.2641 27.2641 k = 0.1812 0.1091-0.0530 ( 762 PWs) bands (ev): -23.4590 -23.4590 -15.1423 -15.1423 -4.2900 -4.2900 -0.2483 -0.2483 0.8450 0.8450 3.9876 3.9876 5.3400 5.3400 10.5681 10.5681 19.4272 19.4272 22.5343 22.5343 23.4339 23.4339 25.1327 25.1327 25.2226 25.2226 25.6069 25.6069 27.2812 27.2812 k = 0.1884 0.1134-0.0552 ( 762 PWs) bands (ev): -23.4425 -23.4425 -15.1339 -15.1339 -4.2677 -4.2677 -0.3214 -0.3214 0.8025 0.8025 3.9413 3.9413 5.3238 5.3238 10.5237 10.5237 19.4659 19.4659 22.5468 22.5468 23.4442 23.4442 25.1947 25.1947 25.2979 25.2979 25.6150 25.6150 27.3091 27.3091 k = 0.1957 0.1178-0.0573 ( 764 PWs) bands (ev): -23.4256 -23.4256 -15.1255 -15.1255 -4.2449 -4.2449 -0.3959 -0.3959 0.7608 0.7608 3.8932 3.8932 5.3075 5.3075 10.4787 10.4787 19.4958 19.4958 22.5666 22.5666 23.4628 23.4628 25.2390 25.2390 25.3318 25.3318 25.6727 25.6727 27.3483 27.3483 k = 0.2029 0.1221-0.0594 ( 768 PWs) bands (ev): -23.4083 -23.4083 -15.1169 -15.1169 -4.2217 -4.2217 -0.4715 -0.4715 0.7199 0.7199 3.8435 3.8435 5.2913 5.2913 10.4332 10.4332 19.5162 19.5162 22.5952 22.5952 23.4883 23.4883 25.2556 25.2556 25.3401 25.3401 25.7741 25.7741 27.3983 27.3983 k = 0.2101 0.1265-0.0615 ( 770 PWs) bands (ev): -23.3908 -23.3908 -15.1083 -15.1083 -4.1981 -4.1981 -0.5480 -0.5480 0.6798 0.6798 3.7925 3.7925 5.2752 5.2752 10.3873 10.3873 19.5267 19.5267 22.6340 22.6340 23.5196 23.5196 25.2375 25.2375 25.3502 25.3502 25.8994 25.8994 27.4578 27.4578 k = 0.2174 0.1309-0.0636 ( 768 PWs) bands (ev): -23.3729 -23.3729 -15.0995 -15.0995 -4.1741 -4.1741 -0.6252 -0.6252 0.6406 0.6406 3.7401 3.7401 5.2591 5.2591 10.3410 10.3410 19.5270 19.5270 22.6834 22.6834 23.5558 23.5558 25.1991 25.1991 25.3598 25.3598 26.0376 26.0376 27.5248 27.5248 k = 0.2246 0.1352-0.0658 ( 772 PWs) bands (ev): -23.3548 -23.3548 -15.0907 -15.0907 -4.1499 -4.1499 -0.7028 -0.7028 0.6021 0.6021 3.6867 3.6867 5.2432 5.2432 10.2946 10.2946 19.5175 19.5175 22.7434 22.7434 23.5959 23.5959 25.1520 25.1520 25.3632 25.3632 26.1842 26.1842 27.5968 27.5968 k = 0.2319 0.1396-0.0679 ( 768 PWs) bands (ev): -23.3365 -23.3365 -15.0818 -15.0818 -4.1253 -4.1253 -0.7806 -0.7806 0.5643 0.5643 3.6323 3.6323 5.2274 5.2274 10.2479 10.2479 19.4987 19.4987 22.8134 22.8134 23.6396 23.6396 25.1007 25.1007 25.3596 25.3596 26.3373 26.3373 27.6709 27.6709 k = 0.2391 0.1440-0.0700 ( 768 PWs) bands (ev): -23.3180 -23.3180 -15.0729 -15.0729 -4.1006 -4.1006 -0.8585 -0.8585 0.5274 0.5274 3.5772 3.5772 5.2118 5.2118 10.2013 10.2013 19.4714 19.4714 22.8921 22.8921 23.6864 23.6864 25.0472 25.0472 25.3497 25.3497 26.4960 26.4960 27.7440 27.7440 k = 0.2464 0.1483-0.0721 ( 768 PWs) bands (ev): -23.2994 -23.2994 -15.0640 -15.0640 -4.0756 -4.0756 -0.9361 -0.9361 0.4911 0.4911 3.5215 3.5215 5.1964 5.1964 10.1546 10.1546 19.4366 19.4366 22.9779 22.9779 23.7364 23.7364 24.9924 24.9924 25.3348 25.3348 26.6595 26.6595 27.8130 27.8130 k = 0.2536 0.1527-0.0742 ( 765 PWs) bands (ev): -23.2806 -23.2806 -15.0551 -15.0551 -4.0506 -4.0506 -1.0134 -1.0134 0.4557 0.4557 3.4654 3.4654 5.1812 5.1812 10.1080 10.1080 19.3952 19.3952 23.0687 23.0687 23.7896 23.7896 24.9370 24.9370 25.3163 25.3163 26.8277 26.8277 27.8756 27.8756 k = 0.2609 0.1570-0.0764 ( 763 PWs) bands (ev): -23.2618 -23.2618 -15.0462 -15.0462 -4.0254 -4.0254 -1.0901 -1.0901 0.4210 0.4210 3.4091 3.4091 5.1663 5.1663 10.0617 10.0617 19.3482 19.3482 23.1622 23.1622 23.8464 23.8464 24.8814 24.8814 25.2954 25.2954 27.0002 27.0002 27.9300 27.9300 k = 0.2681 0.1614-0.0785 ( 763 PWs) bands (ev): -23.2430 -23.2430 -15.0374 -15.0374 -4.0002 -4.0002 -1.1662 -1.1662 0.3871 0.3871 3.3527 3.3527 5.1516 5.1516 10.0155 10.0155 19.2968 19.2968 23.2556 23.2556 23.9073 23.9073 24.8260 24.8260 25.2735 25.2735 27.1768 27.1768 27.9755 27.9755 k = 0.2754 0.1658-0.0806 ( 767 PWs) bands (ev): -23.2243 -23.2243 -15.0287 -15.0287 -3.9750 -3.9750 -1.2414 -1.2414 0.3540 0.3540 3.2964 3.2964 5.1371 5.1371 9.9698 9.9698 19.2418 19.2418 23.3463 23.3463 23.9728 23.9728 24.7710 24.7710 25.2517 25.2517 27.3573 27.3573 28.0125 28.0125 k = 0.2826 0.1701-0.0827 ( 767 PWs) bands (ev): -23.2056 -23.2056 -15.0201 -15.0201 -3.9498 -3.9498 -1.3157 -1.3157 0.3216 0.3216 3.2405 3.2405 5.1230 5.1230 9.9245 9.9245 19.1840 19.1840 23.4316 23.4316 24.0430 24.0430 24.7167 24.7167 25.2313 25.2313 27.5415 27.5415 28.0424 28.0424 k = 0.2899 0.1745-0.0849 ( 768 PWs) bands (ev): -23.1870 -23.1870 -15.0116 -15.0116 -3.9246 -3.9246 -1.3889 -1.3889 0.2901 0.2901 3.1849 3.1849 5.1091 5.1091 9.8796 9.8796 19.1243 19.1243 23.5096 23.5096 24.1174 24.1174 24.6633 24.6633 25.2137 25.2137 27.7293 27.7293 28.0674 28.0674 k = 0.2971 0.1789-0.0870 ( 768 PWs) bands (ev): -23.1685 -23.1685 -15.0032 -15.0032 -3.8996 -3.8996 -1.4609 -1.4609 0.2594 0.2594 3.1300 3.1300 5.0956 5.0956 9.8354 9.8354 19.0632 19.0632 23.5788 23.5788 24.1941 24.1941 24.6114 24.6114 25.2002 25.2002 27.9203 27.9203 28.0901 28.0901 k = 0.3043 0.1832-0.0891 ( 764 PWs) bands (ev): -23.1501 -23.1501 -14.9949 -14.9949 -3.8747 -3.8747 -1.5316 -1.5316 0.2295 0.2295 3.0759 3.0759 5.0824 5.0824 9.7919 9.7919 19.0014 19.0014 23.6390 23.6390 24.2700 24.2700 24.5614 24.5614 25.1925 25.1925 28.1014 28.1014 28.1262 28.1262 k = 0.3116 0.1876-0.0912 ( 764 PWs) bands (ev): -23.1320 -23.1320 -14.9869 -14.9869 -3.8499 -3.8499 -1.6009 -1.6009 0.2004 0.2004 3.0226 3.0226 5.0695 5.0695 9.7491 9.7491 18.9394 18.9394 23.6906 23.6906 24.3397 24.3397 24.5155 24.5155 25.1921 25.1921 28.1361 28.1361 28.3147 28.3147 k = 0.3188 0.1919-0.0933 ( 764 PWs) bands (ev): -23.1141 -23.1141 -14.9790 -14.9790 -3.8253 -3.8253 -1.6688 -1.6688 0.1723 0.1723 2.9705 2.9705 5.0569 5.0569 9.7071 9.7071 18.8776 18.8776 23.7343 23.7343 24.3895 24.3895 24.4839 24.4839 25.2003 25.2003 28.1672 28.1672 28.5152 28.5152 k = 0.3261 0.1963-0.0955 ( 764 PWs) bands (ev): -23.0966 -23.0966 -14.9713 -14.9713 -3.8010 -3.8010 -1.7351 -1.7351 0.1450 0.1450 2.9195 2.9195 5.0447 5.0447 9.6660 9.6660 18.8164 18.8164 23.7710 23.7710 24.3852 24.3852 24.4977 24.4977 25.2178 25.2178 28.2058 28.2058 28.7187 28.7187 k = 0.3333 0.2007-0.0976 ( 765 PWs) bands (ev): -23.0794 -23.0794 -14.9638 -14.9638 -3.7768 -3.7768 -1.7997 -1.7997 0.1187 0.1187 2.8698 2.8698 5.0329 5.0329 9.6259 9.6259 18.7561 18.7561 23.8015 23.8015 24.3484 24.3484 24.5337 24.5337 25.2440 25.2440 28.2543 28.2543 28.9250 28.9250 k = 0.3406 0.2050-0.0997 ( 765 PWs) bands (ev): -23.0626 -23.0626 -14.9565 -14.9565 -3.7530 -3.7530 -1.8627 -1.8627 0.0933 0.0933 2.8215 2.8215 5.0215 5.0215 9.5868 9.5868 18.6971 18.6971 23.8264 23.8264 24.3066 24.3066 24.5647 24.5647 25.2768 25.2768 28.3146 28.3146 29.1336 29.1336 k = 0.3478 0.2094-0.1018 ( 761 PWs) bands (ev): -23.0462 -23.0462 -14.9495 -14.9495 -3.7294 -3.7294 -1.9239 -1.9239 0.0689 0.0689 2.7748 2.7748 5.0105 5.0105 9.5489 9.5489 18.6395 18.6395 23.8464 23.8464 24.2648 24.2648 24.5874 24.5874 25.3131 25.3131 28.3881 28.3881 29.3445 29.3445 k = 0.3551 0.2138-0.1039 ( 761 PWs) bands (ev): -23.0302 -23.0302 -14.9427 -14.9427 -3.7062 -3.7062 -1.9833 -1.9833 0.0454 0.0454 2.7297 2.7297 4.9999 4.9999 9.5122 9.5122 18.5836 18.5836 23.8620 23.8620 24.2241 24.2241 24.6028 24.6028 25.3496 25.3496 28.4757 28.4757 29.5573 29.5573 k = 0.3623 0.2181-0.1061 ( 763 PWs) bands (ev): -23.0148 -23.0148 -14.9362 -14.9362 -3.6833 -3.6833 -2.0408 -2.0408 0.0229 0.0229 2.6863 2.6863 4.9898 4.9898 9.4767 9.4767 18.5296 18.5296 23.8736 23.8736 24.1850 24.1850 24.6130 24.6130 25.3832 25.3832 28.5778 28.5778 29.7717 29.7717 k = 0.3696 0.2225-0.1082 ( 764 PWs) bands (ev): -22.9999 -22.9999 -14.9300 -14.9300 -3.6607 -3.6607 -2.0964 -2.0964 0.0015 0.0015 2.6448 2.6448 4.9800 4.9800 9.4426 9.4426 18.4776 18.4776 23.8816 23.8816 24.1476 24.1476 24.6196 24.6196 25.4120 25.4120 28.6941 28.6941 29.9874 29.9874 k = 0.3768 0.2268-0.1103 ( 763 PWs) bands (ev): -22.9855 -22.9855 -14.9241 -14.9241 -3.6386 -3.6386 -2.1500 -2.1500 -0.0189 -0.0189 2.6052 2.6052 4.9708 4.9708 9.4098 9.4098 18.4279 18.4279 23.8864 23.8864 24.1122 24.1122 24.6241 24.6241 25.4348 25.4348 28.8241 28.8241 30.2041 30.2041 k = 0.3841 0.2312-0.1124 ( 761 PWs) bands (ev): -22.9718 -22.9718 -14.9184 -14.9184 -3.6168 -3.6168 -2.2015 -2.2015 -0.0382 -0.0382 2.5675 2.5675 4.9619 4.9619 9.3786 9.3786 18.3805 18.3805 23.8882 23.8882 24.0791 24.0791 24.6273 24.6273 25.4513 25.4513 28.9666 28.9666 30.4214 30.4214 k = 0.3913 0.2356-0.1146 ( 760 PWs) bands (ev): -22.9587 -22.9587 -14.9131 -14.9131 -3.5956 -3.5956 -2.2509 -2.2509 -0.0565 -0.0565 2.5319 2.5319 4.9536 4.9536 9.3488 9.3488 18.3355 18.3355 23.8874 23.8874 24.0483 24.0483 24.6299 24.6299 25.4614 25.4614 29.1203 29.1203 30.6387 30.6387 k = 0.3986 0.2399-0.1167 ( 762 PWs) bands (ev): -22.9463 -22.9463 -14.9080 -14.9080 -3.5748 -3.5748 -2.2982 -2.2982 -0.0737 -0.0737 2.4983 2.4983 4.9458 4.9458 9.3207 9.3207 18.2930 18.2930 23.8841 23.8841 24.0201 24.0201 24.6324 24.6324 25.4658 25.4658 29.2833 29.2833 30.8555 30.8555 k = 0.4058 0.2443-0.1188 ( 762 PWs) bands (ev): -22.9345 -22.9345 -14.9034 -14.9034 -3.5546 -3.5546 -2.3432 -2.3432 -0.0897 -0.0897 2.4669 2.4669 4.9384 4.9384 9.2943 9.2943 18.2531 18.2531 23.8785 23.8785 23.9947 23.9947 24.6351 24.6351 25.4652 25.4652 29.4539 29.4539 31.0712 31.0712 k = 0.4130 0.2487-0.1209 ( 762 PWs) bands (ev): -22.9235 -22.9235 -14.8990 -14.8990 -3.5349 -3.5349 -2.3858 -2.3858 -0.1047 -0.1047 2.4377 2.4377 4.9316 4.9316 9.2695 9.2695 18.2160 18.2160 23.8707 23.8707 23.9725 23.9725 24.6379 24.6379 25.4605 25.4605 29.6300 29.6300 31.2847 31.2847 k = 0.4203 0.2530-0.1230 ( 761 PWs) bands (ev): -22.9133 -22.9133 -14.8949 -14.8949 -3.5160 -3.5160 -2.4260 -2.4260 -0.1185 -0.1185 2.4107 2.4107 4.9252 4.9252 9.2465 9.2465 18.1816 18.1816 23.8611 23.8611 23.9534 23.9534 24.6410 24.6410 25.4525 25.4525 29.8096 29.8096 31.4946 31.4946 k = 0.4275 0.2574-0.1252 ( 761 PWs) bands (ev): -22.9039 -22.9039 -14.8912 -14.8912 -3.4979 -3.4979 -2.4637 -2.4637 -0.1311 -0.1311 2.3860 2.3860 4.9194 4.9194 9.2253 9.2253 18.1500 18.1500 23.8498 23.8498 23.9375 23.9375 24.6444 24.6444 25.4421 25.4421 29.9903 29.9903 31.6981 31.6981 k = 0.4348 0.2617-0.1273 ( 762 PWs) bands (ev): -22.8953 -22.8953 -14.8879 -14.8879 -3.4806 -3.4806 -2.4986 -2.4986 -0.1426 -0.1426 2.3635 2.3635 4.9141 4.9141 9.2060 9.2060 18.1213 18.1213 23.8376 23.8376 23.9244 23.9244 24.6479 24.6479 25.4301 25.4301 30.1697 30.1697 31.8817 31.8817 k = 0.4420 0.2661-0.1294 ( 764 PWs) bands (ev): -22.8875 -22.8875 -14.8849 -14.8849 -3.4644 -3.4644 -2.5307 -2.5307 -0.1529 -0.1529 2.3434 2.3434 4.9094 4.9094 9.1886 9.1886 18.0955 18.0955 23.8251 23.8251 23.9136 23.9136 24.6516 24.6516 25.4172 25.4172 30.3448 30.3448 31.9853 31.9853 k = 0.4493 0.2705-0.1315 ( 766 PWs) bands (ev): -22.8807 -22.8807 -14.8822 -14.8822 -3.4494 -3.4494 -2.5598 -2.5598 -0.1620 -0.1620 2.3255 2.3255 4.9052 4.9052 9.1732 9.1732 18.0727 18.0727 23.8130 23.8130 23.9048 23.9048 24.6553 24.6553 25.4042 25.4042 30.5128 30.5128 32.0327 32.0327 k = 0.4565 0.2748-0.1336 ( 764 PWs) bands (ev): -22.8746 -22.8746 -14.8799 -14.8799 -3.4357 -3.4357 -2.5857 -2.5857 -0.1699 -0.1699 2.3101 2.3101 4.9015 4.9015 9.1597 9.1597 18.0528 18.0528 23.8019 23.8019 23.8975 23.8975 24.6589 24.6589 25.3916 25.3916 30.6700 30.6700 32.0671 32.0671 k = 0.4638 0.2792-0.1358 ( 766 PWs) bands (ev): -22.8695 -22.8695 -14.8779 -14.8779 -3.4237 -3.4237 -2.6081 -2.6081 -0.1766 -0.1766 2.2970 2.2970 4.8984 4.8984 9.1483 9.1483 18.0360 18.0360 23.7920 23.7920 23.8915 23.8915 24.6622 24.6622 25.3800 25.3800 30.8128 30.8128 32.0946 32.0946 k = 0.4710 0.2836-0.1379 ( 766 PWs) bands (ev): -22.8653 -22.8653 -14.8763 -14.8763 -3.4134 -3.4134 -2.6269 -2.6269 -0.1821 -0.1821 2.2862 2.2862 4.8959 4.8959 9.1389 9.1389 18.0222 18.0222 23.7836 23.7836 23.8867 23.8867 24.6652 24.6652 25.3699 25.3699 30.9372 30.9372 32.1165 32.1165 k = 0.4783 0.2879-0.1400 ( 766 PWs) bands (ev): -22.8620 -22.8620 -14.8751 -14.8751 -3.4051 -3.4051 -2.6418 -2.6418 -0.1864 -0.1864 2.2779 2.2779 4.8939 4.8939 9.1316 9.1316 18.0114 18.0114 23.7770 23.7770 23.8830 23.8830 24.6676 24.6676 25.3616 25.3616 31.0391 31.0391 32.1331 32.1331 k = 0.4855 0.2923-0.1421 ( 766 PWs) bands (ev): -22.8597 -22.8597 -14.8742 -14.8742 -3.3991 -3.3991 -2.6526 -2.6526 -0.1895 -0.1895 2.2719 2.2719 4.8925 4.8925 9.1263 9.1263 18.0037 18.0037 23.7722 23.7722 23.8804 23.8804 24.6694 24.6694 25.3554 25.3554 31.1150 31.1150 32.1449 32.1449 k = 0.4928 0.2966-0.1443 ( 766 PWs) bands (ev): -22.8583 -22.8583 -14.8736 -14.8736 -3.3954 -3.3954 -2.6592 -2.6592 -0.1913 -0.1913 2.2683 2.2683 4.8916 4.8916 9.1231 9.1231 17.9991 17.9991 23.7693 23.7693 23.8789 23.8789 24.6706 24.6706 25.3516 25.3516 31.1618 31.1618 32.1519 32.1519 k = 0.5000 0.3010-0.1464 ( 766 PWs) bands (ev): -22.8578 -22.8578 -14.8734 -14.8734 -3.3941 -3.3941 -2.6614 -2.6614 -0.1919 -0.1919 2.2671 2.2671 4.8913 4.8913 9.1221 9.1221 17.9975 17.9975 23.7683 23.7683 23.8784 23.8784 24.6709 24.6709 25.3503 25.3503 31.1776 31.1776 32.1542 32.1542 k = 0.5000 0.3010-0.1464 ( 766 PWs) bands (ev): -22.8578 -22.8578 -14.8734 -14.8734 -3.3941 -3.3941 -2.6614 -2.6614 -0.1919 -0.1919 2.2671 2.2671 4.8913 4.8913 9.1221 9.1221 17.9975 17.9975 23.7683 23.7683 23.8784 23.8784 24.6709 24.6709 25.3503 25.3503 31.1776 31.1776 32.1542 32.1542 k = 0.5017 0.3021-0.1383 ( 766 PWs) bands (ev): -22.8578 -22.8578 -14.8734 -14.8734 -3.3947 -3.3947 -2.6617 -2.6617 -0.1917 -0.1917 2.2684 2.2684 4.8910 4.8910 9.1239 9.1239 17.9984 17.9984 23.7648 23.7648 23.8585 23.8585 24.6607 24.6607 25.3823 25.3823 31.1575 31.1575 32.1715 32.1715 k = 0.5035 0.3031-0.1301 ( 764 PWs) bands (ev): -22.8579 -22.8579 -14.8732 -14.8732 -3.3965 -3.3965 -2.6629 -2.6629 -0.1912 -0.1912 2.2721 2.2721 4.8898 4.8898 9.1292 9.1292 18.0011 18.0011 23.7339 23.7339 23.8234 23.8234 24.6348 24.6348 25.4695 25.4695 31.1009 31.1009 32.2200 32.2200 k = 0.5052 0.3042-0.1220 ( 764 PWs) bands (ev): -22.8580 -22.8580 -14.8730 -14.8730 -3.3995 -3.3995 -2.6648 -2.6648 -0.1902 -0.1902 2.2782 2.2782 4.8879 4.8879 9.1380 9.1380 18.0055 18.0055 23.6403 23.6403 23.8184 23.8184 24.6007 24.6007 25.5944 25.5944 31.0159 31.0159 32.2929 32.2929 k = 0.5070 0.3052-0.1139 ( 766 PWs) bands (ev): -22.8582 -22.8582 -14.8726 -14.8726 -3.4037 -3.4037 -2.6675 -2.6675 -0.1889 -0.1889 2.2867 2.2867 4.8853 4.8853 9.1502 9.1502 18.0116 18.0116 23.5081 23.5081 23.8304 23.8304 24.5622 24.5622 25.7423 25.7423 30.9107 30.9107 32.3834 32.3834 k = 0.5087 0.3063-0.1058 ( 767 PWs) bands (ev): -22.8584 -22.8584 -14.8722 -14.8722 -3.4090 -3.4090 -2.6709 -2.6709 -0.1872 -0.1872 2.2976 2.2976 4.8820 4.8820 9.1659 9.1659 18.0194 18.0194 23.3557 23.3557 23.8500 23.8500 24.5200 24.5200 25.9033 25.9033 30.7920 30.7920 32.4870 32.4870 k = 0.5105 0.3073-0.0976 ( 767 PWs) bands (ev): -22.8587 -22.8587 -14.8717 -14.8717 -3.4155 -3.4155 -2.6750 -2.6750 -0.1852 -0.1852 2.3108 2.3108 4.8779 4.8779 9.1849 9.1849 18.0289 18.0289 23.1915 23.1915 23.8750 23.8750 24.4741 24.4741 26.0709 26.0709 30.6648 30.6648 32.6009 32.6009 k = 0.5122 0.3084-0.0895 ( 767 PWs) bands (ev): -22.8590 -22.8590 -14.8710 -14.8710 -3.4229 -3.4229 -2.6798 -2.6798 -0.1828 -0.1828 2.3263 2.3263 4.8732 4.8732 9.2072 9.2072 18.0400 18.0400 23.0203 23.0203 23.9050 23.9050 24.4245 24.4245 26.2406 26.2406 30.5330 30.5330 32.7231 32.7231 k = 0.5140 0.3094-0.0814 ( 768 PWs) bands (ev): -22.8594 -22.8594 -14.8703 -14.8703 -3.4314 -3.4314 -2.6854 -2.6854 -0.1800 -0.1800 2.3438 2.3438 4.8679 4.8679 9.2326 9.2326 18.0527 18.0527 22.8452 22.8452 23.9394 23.9394 24.3713 24.3713 26.4086 26.4086 30.4002 30.4002 32.8489 32.8489 k = 0.5157 0.3105-0.0733 ( 770 PWs) bands (ev): -22.8598 -22.8598 -14.8695 -14.8695 -3.4409 -3.4409 -2.6915 -2.6915 -0.1769 -0.1769 2.3634 2.3634 4.8620 4.8620 9.2610 9.2610 18.0669 18.0669 22.6685 22.6685 23.9779 23.9779 24.3152 24.3152 26.5718 26.5718 30.2697 30.2697 32.8814 32.8814 k = 0.5175 0.3115-0.0652 ( 770 PWs) bands (ev): -22.8603 -22.8603 -14.8686 -14.8686 -3.4512 -3.4512 -2.6983 -2.6983 -0.1735 -0.1735 2.3849 2.3849 4.8555 4.8555 9.2923 9.2923 18.0825 18.0825 22.4915 22.4915 24.0195 24.0195 24.2575 24.2575 26.7264 26.7264 30.1451 30.1451 32.8395 32.8395 k = 0.5192 0.3126-0.0570 ( 770 PWs) bands (ev): -22.8608 -22.8608 -14.8675 -14.8675 -3.4624 -3.4624 -2.7056 -2.7056 -0.1698 -0.1698 2.4082 2.4082 4.8486 4.8486 9.3264 9.3264 18.0995 18.0995 22.3155 22.3155 24.0606 24.0606 24.2021 24.2021 26.8689 26.8689 30.0303 30.0303 32.7908 32.7908 k = 0.5209 0.3136-0.0489 ( 770 PWs) bands (ev): -22.8614 -22.8614 -14.8664 -14.8664 -3.4744 -3.4744 -2.7134 -2.7134 -0.1658 -0.1658 2.4332 2.4332 4.8412 4.8412 9.3632 9.3632 18.1178 18.1178 22.1412 22.1412 24.0796 24.0796 24.1713 24.1713 26.9946 26.9946 29.9300 29.9300 32.7375 32.7375 k = 0.5227 0.3147-0.0408 ( 776 PWs) bands (ev): -22.8621 -22.8621 -14.8652 -14.8652 -3.4871 -3.4871 -2.7217 -2.7217 -0.1614 -0.1614 2.4597 2.4597 4.8334 4.8334 9.4023 9.4023 18.1373 18.1373 21.9694 21.9694 24.0403 24.0403 24.2016 24.2016 27.0988 27.0988 29.8491 29.8491 32.6800 32.6800 k = 0.5244 0.3157-0.0327 ( 776 PWs) bands (ev): -22.8628 -22.8628 -14.8639 -14.8639 -3.5006 -3.5006 -2.7302 -2.7302 -0.1568 -0.1568 2.4875 2.4875 4.8253 4.8253 9.4438 9.4438 18.1579 18.1579 21.8006 21.8006 23.9800 23.9800 24.2563 24.2563 27.1765 27.1765 29.7927 29.7927 32.6187 32.6187 k = 0.5262 0.3168-0.0246 ( 778 PWs) bands (ev): -22.8636 -22.8636 -14.8624 -14.8624 -3.5147 -3.5147 -2.7391 -2.7391 -0.1520 -0.1520 2.5165 2.5165 4.8169 4.8169 9.4874 9.4874 18.1794 18.1794 21.6353 21.6353 23.9158 23.9158 24.3187 24.3187 27.2232 27.2232 29.7650 29.7650 32.5535 32.5535 k = 0.5279 0.3178-0.0164 ( 778 PWs) bands (ev): -22.8645 -22.8645 -14.8609 -14.8609 -3.5294 -3.5294 -2.7481 -2.7481 -0.1468 -0.1468 2.5465 2.5465 4.8082 4.8082 9.5329 9.5329 18.2018 18.2018 21.4740 21.4740 23.8511 23.8511 24.3860 24.3860 27.2365 27.2365 29.7685 29.7685 32.4849 32.4849 k = 0.5297 0.3189-0.0083 ( 779 PWs) bands (ev): -22.8654 -22.8654 -14.8592 -14.8592 -3.5447 -3.5447 -2.7571 -2.7571 -0.1415 -0.1415 2.5773 2.5773 4.7995 4.7995 9.5801 9.5801 18.2250 18.2250 21.3170 21.3170 23.7871 23.7871 24.4572 24.4572 27.2163 27.2163 29.8029 29.8029 32.4128 32.4128 k = 0.5314 0.3199-0.0002 ( 779 PWs) bands (ev): -22.8663 -22.8663 -14.8574 -14.8574 -3.5605 -3.5605 -2.7661 -2.7661 -0.1360 -0.1360 2.6087 2.6087 4.7906 4.7906 9.6288 9.6288 18.2486 18.2486 21.1646 21.1646 23.7247 23.7247 24.5320 24.5320 27.1654 27.1654 29.8653 29.8653 32.3376 32.3376 k = 0.5332 0.3210 0.0079 ( 779 PWs) bands (ev): -22.8674 -22.8674 -14.8556 -14.8556 -3.5768 -3.5768 -2.7749 -2.7749 -0.1303 -0.1303 2.6405 2.6405 4.7818 4.7818 9.6789 9.6789 18.2728 18.2728 21.0173 21.0173 23.6646 23.6646 24.6101 24.6101 27.0881 27.0881 29.9506 29.9506 32.2593 32.2593 k = 0.5349 0.3220 0.0161 ( 775 PWs) bands (ev): -22.8685 -22.8685 -14.8536 -14.8536 -3.5936 -3.5936 -2.7834 -2.7834 -0.1245 -0.1245 2.6726 2.6726 4.7729 4.7729 9.7300 9.7300 18.2972 18.2972 20.8752 20.8752 23.6073 23.6073 24.6910 24.6910 26.9894 26.9894 30.0531 30.0531 32.1783 32.1783 k = 0.5366 0.3231 0.0242 ( 775 PWs) bands (ev): -22.8697 -22.8697 -14.8515 -14.8515 -3.6109 -3.6109 -2.7914 -2.7914 -0.1185 -0.1185 2.7046 2.7046 4.7642 4.7642 9.7821 9.7821 18.3217 18.3217 20.7386 20.7386 23.5533 23.5533 24.7746 24.7746 26.8743 26.8743 30.1672 30.1672 32.0947 32.0947 k = 0.5384 0.3241 0.0323 ( 775 PWs) bands (ev): -22.8709 -22.8709 -14.8494 -14.8494 -3.6285 -3.6285 -2.7990 -2.7990 -0.1125 -0.1125 2.7364 2.7364 4.7556 4.7556 9.8348 9.8348 18.3461 18.3461 20.6079 20.6079 23.5033 23.5033 24.8604 24.8604 26.7470 26.7470 30.2874 30.2874 32.0088 32.0088 k = 0.5401 0.3252 0.0404 ( 774 PWs) bands (ev): -22.8723 -22.8723 -14.8471 -14.8471 -3.6466 -3.6466 -2.8059 -2.8059 -0.1063 -0.1063 2.7678 2.7678 4.7472 4.7472 9.8880 9.8880 18.3704 18.3704 20.4832 20.4832 23.4576 23.4576 24.9483 24.9483 26.6107 26.6107 30.4092 30.4092 31.9209 31.9209 k = 0.5401 0.3252 0.0404 ( 774 PWs) bands (ev): -22.8723 -22.8723 -14.8471 -14.8471 -3.6466 -3.6466 -2.8059 -2.8059 -0.1063 -0.1063 2.7678 2.7678 4.7472 4.7472 9.8880 9.8880 18.3704 18.3704 20.4832 20.4832 23.4576 23.4576 24.9483 24.9483 26.6107 26.6107 30.4092 30.4092 31.9209 31.9209 k = 0.5379 0.3238 0.0485 ( 774 PWs) bands (ev): -22.8715 -22.8715 -14.8402 -14.8402 -3.6717 -3.6717 -2.8201 -2.8201 -0.1032 -0.1032 2.7887 2.7887 4.7357 4.7357 9.9549 9.9549 18.3853 18.3853 20.3670 20.3670 23.4141 23.4141 25.0419 25.0419 26.4607 26.4607 30.5465 30.5465 31.9098 31.9098 k = 0.5357 0.3225 0.0567 ( 772 PWs) bands (ev): -22.8709 -22.8709 -14.8333 -14.8333 -3.6966 -3.6966 -2.8338 -2.8338 -0.1000 -0.1000 2.8091 2.8091 4.7245 4.7245 10.0217 10.0217 18.3998 18.3998 20.2564 20.2564 23.3769 23.3769 25.1371 25.1371 26.3035 26.3035 30.6807 30.6807 31.8918 31.8918 k = 0.5334 0.3211 0.0648 ( 774 PWs) bands (ev): -22.8703 -22.8703 -14.8265 -14.8265 -3.7211 -3.7211 -2.8468 -2.8468 -0.0967 -0.0967 2.8290 2.8290 4.7137 4.7137 10.0878 10.0878 18.4136 18.4136 20.1517 20.1517 23.3465 23.3465 25.2334 25.2334 26.1412 26.1412 30.8095 30.8095 31.8669 31.8669 k = 0.5312 0.3198 0.0729 ( 771 PWs) bands (ev): -22.8698 -22.8698 -14.8198 -14.8198 -3.7451 -3.7451 -2.8592 -2.8592 -0.0935 -0.0935 2.8482 2.8482 4.7034 4.7034 10.1527 10.1527 18.4266 18.4266 20.0529 20.0529 23.3235 23.3235 25.3303 25.3303 25.9758 25.9758 30.9309 30.9309 31.8347 31.8347 k = 0.5290 0.3185 0.0811 ( 769 PWs) bands (ev): -22.8693 -22.8693 -14.8133 -14.8133 -3.7682 -3.7682 -2.8708 -2.8708 -0.0904 -0.0904 2.8665 2.8665 4.6935 4.6935 10.2160 10.2160 18.4388 18.4388 19.9603 19.9603 23.3082 23.3082 25.4269 25.4269 25.8087 25.8087 31.0434 31.0434 31.7956 31.7956 k = 0.5268 0.3171 0.0892 ( 773 PWs) bands (ev): -22.8690 -22.8690 -14.8071 -14.8071 -3.7905 -3.7905 -2.8817 -2.8817 -0.0873 -0.0873 2.8839 2.8839 4.6842 4.6842 10.2771 10.2771 18.4500 18.4500 19.8739 19.8739 23.3009 23.3009 25.5224 25.5224 25.6414 25.6414 31.1460 31.1460 31.7499 31.7499 k = 0.5245 0.3158 0.0973 ( 773 PWs) bands (ev): -22.8687 -22.8687 -14.8011 -14.8011 -3.8116 -3.8116 -2.8919 -2.8919 -0.0844 -0.0844 2.9003 2.9003 4.6755 4.6755 10.3356 10.3356 18.4602 18.4602 19.7940 19.7940 23.3022 23.3022 25.4744 25.4744 25.6169 25.6169 31.2381 31.2381 31.6985 31.6985 k = 0.5223 0.3144 0.1055 ( 773 PWs) bands (ev): -22.8685 -22.8685 -14.7955 -14.7955 -3.8314 -3.8314 -2.9013 -2.9013 -0.0815 -0.0815 2.9156 2.9156 4.6675 4.6675 10.3909 10.3909 18.4693 18.4693 19.7205 19.7205 23.3121 23.3121 25.3098 25.3098 25.7081 25.7081 31.3195 31.3195 31.6428 31.6428 k = 0.5201 0.3131 0.1136 ( 772 PWs) bands (ev): -22.8683 -22.8683 -14.7903 -14.7903 -3.8498 -3.8498 -2.9099 -2.9099 -0.0789 -0.0789 2.9296 2.9296 4.6601 4.6601 10.4426 10.4426 18.4773 18.4773 19.6537 19.6537 23.3309 23.3309 25.1480 25.1480 25.7958 25.7958 31.3897 31.3897 31.5848 31.5848 k = 0.5178 0.3118 0.1217 ( 772 PWs) bands (ev): -22.8682 -22.8682 -14.7854 -14.7854 -3.8667 -3.8667 -2.9176 -2.9176 -0.0764 -0.0764 2.9424 2.9424 4.6534 4.6534 10.4902 10.4902 18.4842 18.4842 19.5936 19.5936 23.3588 23.3588 24.9897 24.9897 25.8788 25.8788 31.4454 31.4454 31.5301 31.5301 k = 0.5156 0.3104 0.1299 ( 772 PWs) bands (ev): -22.8681 -22.8681 -14.7811 -14.7811 -3.8818 -3.8818 -2.9245 -2.9245 -0.0742 -0.0742 2.9538 2.9538 4.6475 4.6475 10.5333 10.5333 18.4901 18.4901 19.5403 19.5403 23.3959 23.3959 24.8359 24.8359 25.9561 25.9561 31.4467 31.4467 31.5211 31.5211 k = 0.5134 0.3091 0.1380 ( 772 PWs) bands (ev): -22.8679 -22.8679 -14.7772 -14.7772 -3.8952 -3.8952 -2.9305 -2.9305 -0.0723 -0.0723 2.9638 2.9638 4.6423 4.6423 10.5715 10.5715 18.4950 18.4950 19.4940 19.4940 23.4420 23.4420 24.6872 24.6872 26.0263 26.0263 31.3962 31.3962 31.5579 31.5579 k = 0.5111 0.3077 0.1461 ( 774 PWs) bands (ev): -22.8679 -22.8679 -14.7740 -14.7740 -3.9067 -3.9067 -2.9356 -2.9356 -0.0706 -0.0706 2.9724 2.9724 4.6379 4.6379 10.6045 10.6045 18.4990 18.4990 19.4546 19.4546 23.4972 23.4972 24.5444 24.5444 26.0884 26.0884 31.3446 31.3446 31.5926 31.5926 k = 0.5089 0.3064 0.1543 ( 774 PWs) bands (ev): -22.8678 -22.8678 -14.7712 -14.7712 -3.9162 -3.9162 -2.9398 -2.9398 -0.0691 -0.0691 2.9794 2.9794 4.6342 4.6342 10.6319 10.6319 18.5022 18.5022 19.4223 19.4223 23.5612 23.5612 24.4080 24.4080 26.1411 26.1411 31.2985 31.2985 31.6208 31.6208 k = 0.5067 0.3050 0.1624 ( 776 PWs) bands (ev): -22.8678 -22.8678 -14.7691 -14.7691 -3.9236 -3.9236 -2.9431 -2.9431 -0.0680 -0.0680 2.9849 2.9849 4.6314 4.6314 10.6536 10.6536 18.5045 18.5045 19.3971 19.3971 23.6333 23.6333 24.2793 24.2793 26.1834 26.1834 31.2603 31.2603 31.6425 31.6425 k = 0.5045 0.3037 0.1705 ( 775 PWs) bands (ev): -22.8678 -22.8678 -14.7675 -14.7675 -3.9290 -3.9290 -2.9454 -2.9454 -0.0672 -0.0672 2.9889 2.9889 4.6294 4.6294 10.6692 10.6692 18.5062 18.5062 19.3791 19.3791 23.7121 23.7121 24.1598 24.1598 26.2143 26.2143 31.2319 31.2319 31.6578 31.6578 k = 0.5022 0.3024 0.1787 ( 774 PWs) bands (ev): -22.8677 -22.8677 -14.7666 -14.7666 -3.9322 -3.9322 -2.9469 -2.9469 -0.0667 -0.0667 2.9913 2.9913 4.6281 4.6281 10.6786 10.6786 18.5071 18.5071 19.3683 19.3683 23.7922 23.7922 24.0552 24.0552 26.2332 26.2332 31.2144 31.2144 31.6669 31.6669 k = 0.5000 0.3010 0.1868 ( 774 PWs) bands (ev): -22.8677 -22.8677 -14.7662 -14.7662 -3.9333 -3.9333 -2.9473 -2.9473 -0.0666 -0.0666 2.9921 2.9921 4.6277 4.6277 10.6818 10.6818 18.5074 18.5074 19.3647 19.3647 23.8402 23.8402 23.9991 23.9991 26.2396 26.2396 31.2084 31.2084 31.6699 31.6699 k = 0.5000 0.3010 0.1868 ( 774 PWs) bands (ev): -22.8677 -22.8677 -14.7662 -14.7662 -3.9333 -3.9333 -2.9473 -2.9473 -0.0666 -0.0666 2.9921 2.9921 4.6277 4.6277 10.6818 10.6818 18.5074 18.5074 19.3647 19.3647 23.8402 23.8402 23.9991 23.9991 26.2396 26.2396 31.2084 31.2084 31.6699 31.6699 k = 0.5045 0.2936 0.1868 ( 772 PWs) bands (ev): -22.8677 -22.8677 -14.7661 -14.7661 -3.9330 -3.9330 -2.9466 -2.9466 -0.0685 -0.0685 2.9925 2.9925 4.6261 4.6261 10.6817 10.6817 18.5126 18.5126 19.3660 19.3660 23.8384 23.8384 24.0027 24.0027 26.2380 26.2380 31.1497 31.1497 31.7186 31.7186 k = 0.5090 0.2861 0.1868 ( 772 PWs) bands (ev): -22.8675 -22.8675 -14.7658 -14.7658 -3.9320 -3.9320 -2.9445 -2.9445 -0.0744 -0.0744 2.9937 2.9937 4.6210 4.6210 10.6817 10.6817 18.5280 18.5280 19.3698 19.3698 23.8329 23.8329 24.0136 24.0136 26.2335 26.2335 31.0159 31.0159 31.8216 31.8216 k = 0.5135 0.2786 0.1868 ( 774 PWs) bands (ev): -22.8672 -22.8672 -14.7654 -14.7654 -3.9305 -3.9305 -2.9409 -2.9409 -0.0841 -0.0841 2.9958 2.9958 4.6127 4.6127 10.6816 10.6816 18.5537 18.5537 19.3762 19.3762 23.8239 23.8239 24.0315 24.0315 26.2261 26.2261 30.8517 30.8517 31.9333 31.9333 k = 0.5180 0.2712 0.1868 ( 774 PWs) bands (ev): -22.8669 -22.8669 -14.7647 -14.7647 -3.9283 -3.9283 -2.9358 -2.9358 -0.0976 -0.0976 2.9987 2.9987 4.6011 4.6011 10.6814 10.6814 18.5895 18.5895 19.3851 19.3851 23.8113 23.8113 24.0565 24.0565 26.2159 26.2159 30.6736 30.6736 32.0359 32.0359 k = 0.5225 0.2637 0.1868 ( 772 PWs) bands (ev): -22.8664 -22.8664 -14.7637 -14.7637 -3.9255 -3.9255 -2.9294 -2.9294 -0.1149 -0.1149 3.0024 3.0024 4.5864 4.5864 10.6812 10.6812 18.6354 18.6354 19.3965 19.3965 23.7951 23.7951 24.0883 24.0883 26.2031 26.2031 30.4882 30.4882 32.1215 32.1215 k = 0.5269 0.2563 0.1868 ( 772 PWs) bands (ev): -22.8659 -22.8659 -14.7627 -14.7627 -3.9221 -3.9221 -2.9215 -2.9215 -0.1357 -0.1357 3.0067 3.0067 4.5686 4.5686 10.6809 10.6809 18.6912 18.6912 19.4103 19.4103 23.7752 23.7752 24.1267 24.1267 26.1880 26.1880 30.2984 30.2984 32.1861 32.1861 k = 0.5314 0.2488 0.1868 ( 772 PWs) bands (ev): -22.8653 -22.8653 -14.7614 -14.7614 -3.9181 -3.9181 -2.9122 -2.9122 -0.1601 -0.1601 3.0118 3.0118 4.5480 4.5480 10.6805 10.6805 18.7569 18.7569 19.4267 19.4267 23.7517 23.7517 24.1715 24.1715 26.1708 26.1708 30.1062 30.1062 32.2278 32.2278 k = 0.5359 0.2413 0.1868 ( 770 PWs) bands (ev): -22.8646 -22.8646 -14.7599 -14.7599 -3.9135 -3.9135 -2.9016 -2.9016 -0.1877 -0.1877 3.0175 3.0175 4.5246 4.5246 10.6800 10.6800 18.8321 18.8321 19.4454 19.4454 23.7246 23.7246 24.2223 24.2223 26.1518 26.1518 29.9131 29.9131 32.2469 32.2469 k = 0.5404 0.2339 0.1868 ( 770 PWs) bands (ev): -22.8638 -22.8638 -14.7583 -14.7583 -3.9083 -3.9083 -2.8895 -2.8895 -0.2186 -0.2186 3.0238 3.0238 4.4986 4.4986 10.6794 10.6794 18.9169 18.9169 19.4665 19.4665 23.6938 23.6938 24.2787 24.2787 26.1315 26.1315 29.7198 29.7198 32.2448 32.2448 k = 0.5449 0.2264 0.1868 ( 768 PWs) bands (ev): -22.8629 -22.8629 -14.7565 -14.7565 -3.9026 -3.9026 -2.8761 -2.8761 -0.2524 -0.2524 3.0305 3.0305 4.4702 4.4702 10.6786 10.6786 19.0108 19.0108 19.4899 19.4899 23.6594 23.6594 24.3403 24.3403 26.1100 26.1100 29.5274 29.5274 32.2239 32.2239 k = 0.5494 0.2190 0.1868 ( 768 PWs) bands (ev): -22.8621 -22.8621 -14.7547 -14.7547 -3.8962 -3.8962 -2.8614 -2.8614 -0.2890 -0.2890 3.0376 3.0376 4.4398 4.4398 10.6776 10.6776 19.1137 19.1137 19.5156 19.5156 23.6214 23.6214 24.4065 24.4065 26.0876 26.0876 29.3366 29.3366 32.1873 32.1873 k = 0.5539 0.2115 0.1868 ( 770 PWs) bands (ev): -22.8612 -22.8612 -14.7526 -14.7526 -3.8894 -3.8894 -2.8453 -2.8453 -0.3282 -0.3282 3.0451 3.0451 4.4074 4.4074 10.6764 10.6764 19.2253 19.2253 19.5435 19.5435 23.5799 23.5799 24.4767 24.4767 26.0648 26.0648 29.1480 29.1480 32.1377 32.1377 k = 0.5584 0.2040 0.1868 ( 768 PWs) bands (ev): -22.8602 -22.8602 -14.7505 -14.7505 -3.8819 -3.8819 -2.8279 -2.8279 -0.3698 -0.3698 3.0527 3.0527 4.3734 4.3734 10.6750 10.6750 19.3454 19.3454 19.5736 19.5736 23.5350 23.5350 24.5502 24.5502 26.0417 26.0417 28.9624 28.9624 32.0781 32.0781 k = 0.5629 0.1966 0.1868 ( 768 PWs) bands (ev): -22.8592 -22.8592 -14.7484 -14.7484 -3.8740 -3.8740 -2.8092 -2.8092 -0.4135 -0.4135 3.0604 3.0604 4.3382 4.3382 10.6734 10.6734 19.4735 19.4735 19.6059 19.6059 23.4867 23.4867 24.6262 24.6262 26.0187 26.0187 28.7804 28.7804 32.0109 32.0109 k = 0.5674 0.1891 0.1868 ( 766 PWs) bands (ev): -22.8582 -22.8582 -14.7461 -14.7461 -3.8655 -3.8655 -2.7893 -2.7893 -0.4591 -0.4591 3.0681 3.0681 4.3019 4.3019 10.6714 10.6714 19.6091 19.6091 19.6405 19.6405 23.4354 23.4354 24.7035 24.7035 25.9960 25.9960 28.6029 28.6029 31.9383 31.9383 k = 0.5719 0.1817 0.1868 ( 764 PWs) bands (ev): -22.8573 -22.8573 -14.7437 -14.7437 -3.8565 -3.8565 -2.7682 -2.7682 -0.5063 -0.5063 3.0754 3.0754 4.2649 4.2649 10.6691 10.6691 19.6761 19.6761 19.7530 19.7530 23.3810 23.3810 24.7809 24.7809 25.9737 25.9737 28.4307 28.4307 31.8622 31.8622 k = 0.5763 0.1742 0.1868 ( 764 PWs) bands (ev): -22.8563 -22.8563 -14.7414 -14.7414 -3.8470 -3.8470 -2.7459 -2.7459 -0.5550 -0.5550 3.0824 3.0824 4.2277 4.2277 10.6665 10.6665 19.7145 19.7145 19.9032 19.9032 23.3239 23.3239 24.8572 24.8572 25.9521 25.9521 28.2648 28.2648 31.7842 31.7842 k = 0.5808 0.1667 0.1868 ( 766 PWs) bands (ev): -22.8555 -22.8555 -14.7391 -14.7391 -3.8371 -3.8371 -2.7225 -2.7225 -0.6049 -0.6049 3.0887 3.0887 4.1906 4.1906 10.6635 10.6635 19.7547 19.7547 20.0600 20.0600 23.2644 23.2644 24.9306 24.9306 25.9313 25.9313 28.1063 28.1063 31.7058 31.7058 k = 0.5853 0.1593 0.1868 ( 766 PWs) bands (ev): -22.8546 -22.8546 -14.7367 -14.7367 -3.8267 -3.8267 -2.6979 -2.6979 -0.6557 -0.6557 3.0942 3.0942 4.1540 4.1540 10.6601 10.6601 19.7968 19.7968 20.2229 20.2229 23.2026 23.2026 24.9991 24.9991 25.9114 25.9114 27.9566 27.9566 31.6283 31.6283 k = 0.5898 0.1518 0.1868 ( 764 PWs) bands (ev): -22.8538 -22.8538 -14.7345 -14.7345 -3.8159 -3.8159 -2.6724 -2.6724 -0.7071 -0.7071 3.0986 3.0986 4.1184 4.1184 10.6562 10.6562 19.8407 19.8407 20.3913 20.3913 23.1390 23.1390 25.0607 25.0607 25.8927 25.8927 27.8173 27.8173 31.5527 31.5527 k = 0.5943 0.1444 0.1868 ( 762 PWs) bands (ev): -22.8531 -22.8531 -14.7322 -14.7322 -3.8047 -3.8047 -2.6459 -2.6459 -0.7589 -0.7589 3.1015 3.1015 4.0842 4.0842 10.6519 10.6519 19.8863 19.8863 20.5646 20.5646 23.0740 23.0740 25.1128 25.1128 25.8753 25.8753 27.6901 27.6901 31.4800 31.4800 k = 0.5988 0.1369 0.1868 ( 760 PWs) bands (ev): -22.8525 -22.8525 -14.7301 -14.7301 -3.7931 -3.7931 -2.6184 -2.6184 -0.8108 -0.8108 3.1028 3.1028 4.0520 4.0520 10.6471 10.6471 19.9337 19.9337 20.7421 20.7421 23.0079 23.0079 25.1527 25.1527 25.8594 25.8594 27.5768 27.5768 31.4111 31.4111 k = 0.6033 0.1294 0.1868 ( 760 PWs) bands (ev): -22.8520 -22.8520 -14.7280 -14.7280 -3.7812 -3.7812 -2.5902 -2.5902 -0.8626 -0.8626 3.1022 3.1022 4.0221 4.0221 10.6417 10.6417 19.9827 19.9827 20.9229 20.9229 22.9414 22.9414 25.1779 25.1779 25.8451 25.8451 27.4792 27.4792 31.3462 31.3462 k = 0.6078 0.1220 0.1868 ( 760 PWs) bands (ev): -22.8517 -22.8517 -14.7262 -14.7262 -3.7689 -3.7689 -2.5612 -2.5612 -0.9140 -0.9140 3.0992 3.0992 3.9951 3.9951 10.6358 10.6358 20.0333 20.0333 21.1059 21.1059 22.8749 22.8749 25.1861 25.1861 25.8327 25.8327 27.3986 27.3986 31.2850 31.2850 k = 0.6123 0.1145 0.1868 ( 758 PWs) bands (ev): -22.8515 -22.8515 -14.7244 -14.7244 -3.7563 -3.7563 -2.5316 -2.5316 -0.9647 -0.9647 3.0938 3.0938 3.9714 3.9714 10.6293 10.6293 20.0854 20.0854 21.2898 21.2898 22.8096 22.8096 25.1757 25.1757 25.8226 25.8226 27.3356 27.3356 31.2239 31.2239 k = 0.6168 0.1071 0.1868 ( 762 PWs) bands (ev): -22.8515 -22.8515 -14.7230 -14.7230 -3.7434 -3.7434 -2.5014 -2.5014 -1.0144 -1.0144 3.0857 3.0857 3.9513 3.9513 10.6223 10.6223 20.1391 20.1391 21.4724 21.4724 22.7468 22.7468 25.1462 25.1462 25.8153 25.8153 27.2897 27.2897 31.1518 31.1518 k = 0.6213 0.0996 0.1868 ( 760 PWs) bands (ev): -22.8517 -22.8517 -14.7216 -14.7216 -3.7302 -3.7302 -2.4709 -2.4709 -1.0627 -1.0627 3.0749 3.0749 3.9351 3.9351 10.6145 10.6145 20.1942 20.1942 21.6509 21.6509 22.6888 22.6888 25.0984 25.0984 25.8112 25.8112 27.2595 27.2595 31.0633 31.0633 k = 0.6257 0.0921 0.1868 ( 760 PWs) bands (ev): -22.8521 -22.8521 -14.7206 -14.7206 -3.7169 -3.7169 -2.4402 -2.4402 -1.1095 -1.1095 3.0613 3.0613 3.9229 3.9229 10.6062 10.6062 20.2506 20.2506 21.8195 21.8195 22.6402 22.6402 25.0338 25.0338 25.8111 25.8111 27.2423 27.2423 30.9694 30.9694 k = 0.6302 0.0847 0.1868 ( 760 PWs) bands (ev): -22.8526 -22.8526 -14.7199 -14.7199 -3.7033 -3.7033 -2.4094 -2.4094 -1.1543 -1.1543 3.0451 3.0451 3.9148 3.9148 10.5971 10.5971 20.3084 20.3084 21.9676 21.9676 22.6108 22.6108 24.9548 24.9548 25.8158 25.8158 27.2350 27.2350 30.8770 30.8770 k = 0.6347 0.0772 0.1868 ( 764 PWs) bands (ev): -22.8535 -22.8535 -14.7195 -14.7195 -3.6895 -3.6895 -2.3788 -2.3788 -1.1967 -1.1967 3.0265 3.0265 3.9106 3.9106 10.5873 10.5873 20.3674 20.3674 22.0758 22.0758 22.6184 22.6184 24.8642 24.8642 25.8264 25.8264 27.2344 27.2344 30.7882 30.7882 k = 0.6392 0.0698 0.1868 ( 766 PWs) bands (ev): -22.8547 -22.8547 -14.7193 -14.7193 -3.6756 -3.6756 -2.3488 -2.3488 -1.2364 -1.2364 3.0058 3.0058 3.9103 3.9103 10.5769 10.5769 20.4276 20.4276 22.1248 22.1248 22.6811 22.6811 24.7644 24.7644 25.8442 25.8442 27.2375 27.2375 30.7036 30.7036 k = 0.6437 0.0623 0.1868 ( 768 PWs) bands (ev): -22.8561 -22.8561 -14.7196 -14.7196 -3.6616 -3.6616 -2.3194 -2.3194 -1.2729 -1.2729 2.9835 2.9835 3.9136 3.9136 10.5657 10.5657 20.4889 20.4889 22.1210 22.1210 22.7903 22.7903 24.6577 24.6577 25.8709 25.8709 27.2418 27.2418 30.6234 30.6234 k = 0.6482 0.0548 0.1868 ( 770 PWs) bands (ev): -22.8578 -22.8578 -14.7202 -14.7202 -3.6475 -3.6475 -2.2912 -2.2912 -1.3058 -1.3058 2.9599 2.9599 3.9201 3.9201 10.5537 10.5537 20.5512 20.5512 22.0875 22.0875 22.9212 22.9212 24.5463 24.5463 25.9082 25.9082 27.2453 27.2453 30.5475 30.5475 k = 0.6527 0.0474 0.1868 ( 770 PWs) bands (ev): -22.8598 -22.8598 -14.7212 -14.7212 -3.6333 -3.6333 -2.2645 -2.2645 -1.3345 -1.3345 2.9354 2.9354 3.9295 3.9295 10.5410 10.5410 20.6144 20.6144 22.0402 22.0402 23.0555 23.0555 24.4317 24.4317 25.9579 25.9579 27.2466 27.2466 30.4758 30.4758 k = 0.6572 0.0399 0.1868 ( 770 PWs) bands (ev): -22.8621 -22.8621 -14.7226 -14.7226 -3.6191 -3.6191 -2.2396 -2.2396 -1.3585 -1.3585 2.9106 2.9106 3.9417 3.9417 10.5274 10.5274 20.6784 20.6784 21.9866 21.9866 23.1836 23.1836 24.3154 24.3154 26.0218 26.0218 27.2447 27.2447 30.4080 30.4080 k = 0.6617 0.0325 0.1868 ( 768 PWs) bands (ev): -22.8647 -22.8647 -14.7245 -14.7245 -3.6050 -3.6050 -2.2171 -2.2171 -1.3774 -1.3774 2.8857 2.8857 3.9562 3.9562 10.5131 10.5131 20.7432 20.7432 21.9303 21.9303 23.2997 23.2997 24.1987 24.1987 26.1016 26.1016 27.2391 27.2391 30.3440 30.3440 k = 0.6662 0.0250 0.1868 ( 768 PWs) bands (ev): -22.8677 -22.8677 -14.7268 -14.7268 -3.5909 -3.5909 -2.1973 -2.1973 -1.3905 -1.3905 2.8612 2.8612 3.9727 3.9727 10.4980 10.4980 20.8086 20.8086 21.8733 21.8733 23.4002 23.4002 24.0830 24.0830 26.1982 26.1982 27.2297 27.2297 30.2833 30.2833 k = 0.6707 0.0175 0.1868 ( 766 PWs) bands (ev): -22.8711 -22.8711 -14.7296 -14.7296 -3.5770 -3.5770 -2.1804 -2.1804 -1.3976 -1.3976 2.8373 2.8373 3.9912 3.9912 10.4821 10.4821 20.8744 20.8744 21.8166 21.8166 23.4824 23.4824 23.9697 23.9697 26.3121 26.3121 27.2165 27.2165 30.2258 30.2258 k = 0.6751 0.0101 0.1868 ( 766 PWs) bands (ev): -22.8749 -22.8749 -14.7330 -14.7330 -3.5631 -3.5631 -2.1668 -2.1668 -1.3984 -1.3984 2.8145 2.8145 4.0112 4.0112 10.4654 10.4654 20.9405 20.9405 21.7609 21.7609 23.5431 23.5431 23.8623 23.8623 26.4425 26.4425 27.1999 27.1999 30.1711 30.1711 k = 0.6796 0.0026 0.1868 ( 768 PWs) bands (ev): -22.8791 -22.8791 -14.7368 -14.7368 -3.5495 -3.5495 -2.1562 -2.1562 -1.3929 -1.3929 2.7929 2.7929 4.0327 4.0327 10.4478 10.4478 21.0068 21.0068 21.7066 21.7066 23.5736 23.5736 23.7701 23.7701 26.5881 26.5881 27.1804 27.1804 30.1189 30.1189 k = 0.3204-0.5321 0.3332 ( 768 PWs) bands (ev): -22.8791 -22.8791 -14.7368 -14.7368 -3.5495 -3.5495 -2.1562 -2.1562 -1.3929 -1.3929 2.7929 2.7929 4.0327 4.0327 10.4478 10.4478 21.0068 21.0068 21.7066 21.7066 23.5736 23.5736 23.7701 23.7701 26.5881 26.5881 27.1804 27.1804 30.1189 30.1189 k = 0.3159-0.5248 0.3332 ( 768 PWs) bands (ev): -22.8836 -22.8836 -14.7412 -14.7412 -3.5362 -3.5362 -2.1485 -2.1485 -1.3812 -1.3812 2.7729 2.7729 4.0552 4.0552 10.4296 10.4296 21.0723 21.0723 21.6545 21.6545 23.5497 23.5497 23.7198 23.7198 26.7447 26.7447 27.1594 27.1594 30.0695 30.0695 k = 0.3115-0.5174 0.3332 ( 768 PWs) bands (ev): -22.8885 -22.8885 -14.7461 -14.7461 -3.5231 -3.5231 -2.1433 -2.1433 -1.3639 -1.3639 2.7546 2.7546 4.0788 4.0788 10.4106 10.4106 21.1376 21.1376 21.6045 21.6045 23.4732 23.4732 23.7110 23.7110 26.9082 26.9082 27.1401 27.1401 30.0221 30.0221 k = 0.3070-0.5100 0.3332 ( 766 PWs) bands (ev): -22.8938 -22.8938 -14.7516 -14.7516 -3.5104 -3.5104 -2.1400 -2.1400 -1.3412 -1.3412 2.7382 2.7382 4.1033 4.1033 10.3908 10.3908 21.2022 21.2022 21.5565 21.5565 23.3799 23.3799 23.7098 23.7098 27.0438 27.0438 27.1552 27.1552 29.9768 29.9768 k = 0.3026-0.5026 0.3332 ( 764 PWs) bands (ev): -22.8996 -22.8996 -14.7576 -14.7576 -3.4979 -3.4979 -2.1380 -2.1380 -1.3138 -1.3138 2.7237 2.7237 4.1287 4.1287 10.3702 10.3702 21.2660 21.2660 21.5109 21.5109 23.2845 23.2845 23.7039 23.7039 27.0547 27.0547 27.2992 27.2992 29.9333 29.9333 k = 0.2981-0.4952 0.3332 ( 764 PWs) bands (ev): -22.9057 -22.9057 -14.7643 -14.7643 -3.4858 -3.4858 -2.1367 -2.1367 -1.2822 -1.2822 2.7114 2.7114 4.1547 4.1547 10.3488 10.3488 21.3284 21.3284 21.4677 21.4677 23.1910 23.1910 23.6911 23.6911 27.0300 27.0300 27.4807 27.4807 29.8920 29.8920 k = 0.2937-0.4878 0.3332 ( 764 PWs) bands (ev): -22.9123 -22.9123 -14.7715 -14.7715 -3.4742 -3.4742 -2.1355 -2.1355 -1.2469 -1.2469 2.7013 2.7013 4.1815 4.1815 10.3266 10.3266 21.3885 21.3885 21.4275 21.4275 23.1012 23.1012 23.6717 23.6717 27.0001 27.0001 27.6669 27.6669 29.8533 29.8533 k = 0.2892-0.4804 0.3332 ( 764 PWs) bands (ev): -22.9193 -22.9193 -14.7793 -14.7793 -3.4630 -3.4630 -2.1340 -2.1340 -1.2085 -1.2085 2.6935 2.6935 4.2087 4.2087 10.3037 10.3037 21.3882 21.3882 21.4481 21.4481 23.0163 23.0163 23.6462 23.6462 26.9683 26.9683 27.8518 27.8518 29.8177 29.8177 k = 0.2848-0.4730 0.3332 ( 764 PWs) bands (ev): -22.9267 -22.9267 -14.7878 -14.7878 -3.4522 -3.4522 -2.1316 -2.1316 -1.1674 -1.1674 2.6881 2.6881 4.2364 4.2364 10.2800 10.2800 21.3529 21.3529 21.5029 21.5029 22.9374 22.9374 23.6156 23.6156 26.9354 26.9354 28.0318 28.0318 29.7863 29.7863 k = 0.2803-0.4656 0.3332 ( 764 PWs) bands (ev): -22.9346 -22.9346 -14.7968 -14.7968 -3.4419 -3.4419 -2.1279 -2.1279 -1.1240 -1.1240 2.6853 2.6853 4.2646 4.2646 10.2556 10.2556 21.3202 21.3202 21.5539 21.5539 22.8654 22.8654 23.5806 23.5806 26.9019 26.9019 28.2033 28.2033 29.7609 29.7609 k = 0.2759-0.4582 0.3332 ( 764 PWs) bands (ev): -22.9429 -22.9429 -14.8065 -14.8065 -3.4322 -3.4322 -2.1226 -2.1226 -1.0785 -1.0785 2.6849 2.6849 4.2930 4.2930 10.2305 10.2305 21.2901 21.2901 21.5998 21.5998 22.8015 22.8015 23.5418 23.5418 26.8680 26.8680 28.3621 28.3621 29.7437 29.7437 k = 0.2714-0.4508 0.3332 ( 764 PWs) bands (ev): -22.9516 -22.9516 -14.8168 -14.8168 -3.4229 -3.4229 -2.1155 -2.1155 -1.0314 -1.0314 2.6872 2.6872 4.3217 4.3217 10.2047 10.2047 21.2628 21.2628 21.6391 21.6391 22.7472 22.7472 23.5000 23.5000 26.8338 26.8338 28.5035 28.5035 29.7378 29.7378 k = 0.2670-0.4435 0.3332 ( 766 PWs) bands (ev): -22.9608 -22.9608 -14.8276 -14.8276 -3.4142 -3.4142 -2.1064 -2.1064 -0.9827 -0.9827 2.6920 2.6920 4.3506 4.3506 10.1783 10.1783 21.2382 21.2382 21.6705 21.6705 22.7037 22.7037 23.4555 23.4555 26.7996 26.7996 28.6227 28.6227 29.7468 29.7468 k = 0.2625-0.4361 0.3332 ( 768 PWs) bands (ev): -22.9704 -22.9704 -14.8391 -14.8391 -3.4061 -3.4061 -2.0949 -2.0949 -0.9328 -0.9328 2.6995 2.6995 4.3797 4.3797 10.1512 10.1512 21.2163 21.2163 21.6928 21.6928 22.6723 22.6723 23.4089 23.4089 26.7653 26.7653 28.7151 28.7151 29.7739 29.7739 k = 0.2581-0.4287 0.3332 ( 768 PWs) bands (ev): -22.9803 -22.9803 -14.8512 -14.8512 -3.3985 -3.3985 -2.0811 -2.0811 -0.8817 -0.8817 2.7096 2.7096 4.4089 4.4089 10.1235 10.1235 21.1971 21.1971 21.7050 21.7050 22.6539 22.6539 23.3605 23.3605 26.7310 26.7310 28.7787 28.7787 29.8200 29.8200 k = 0.2536-0.4213 0.3332 ( 766 PWs) bands (ev): -22.9907 -22.9907 -14.8638 -14.8638 -3.3914 -3.3914 -2.0648 -2.0648 -0.8297 -0.8297 2.7223 2.7223 4.4382 4.4382 10.0952 10.0952 21.1806 21.1806 21.7069 21.7069 22.6485 22.6485 23.3106 23.3106 26.6966 26.6966 28.8149 28.8149 29.8825 29.8825 k = 0.2492-0.4139 0.3332 ( 766 PWs) bands (ev): -23.0015 -23.0015 -14.8769 -14.8769 -3.3849 -3.3849 -2.0460 -2.0460 -0.7769 -0.7769 2.7376 2.7376 4.4675 4.4675 10.0664 10.0664 21.1667 21.1667 21.6995 21.6995 22.6552 22.6552 23.2597 23.2597 26.6622 26.6622 28.8279 28.8279 29.9561 29.9561 k = 0.2447-0.4065 0.3332 ( 764 PWs) bands (ev): -23.0126 -23.0126 -14.8906 -14.8906 -3.3790 -3.3790 -2.0245 -2.0245 -0.7233 -0.7233 2.7556 2.7556 4.4968 4.4968 10.0371 10.0371 21.1552 21.1552 21.6839 21.6839 22.6726 22.6726 23.2079 23.2079 26.6277 26.6277 28.8233 28.8233 30.0342 30.0342 k = 0.2403-0.3991 0.3332 ( 764 PWs) bands (ev): -23.0242 -23.0242 -14.9048 -14.9048 -3.3735 -3.3735 -2.0005 -2.0005 -0.6691 -0.6691 2.7761 2.7761 4.5260 4.5260 10.0073 10.0073 21.1462 21.1462 21.6623 21.6623 22.6984 22.6984 23.1558 23.1558 26.5930 26.5930 28.8061 28.8061 30.1107 30.1107 k = 0.2358-0.3917 0.3332 ( 762 PWs) bands (ev): -23.0360 -23.0360 -14.9195 -14.9195 -3.3685 -3.3685 -1.9737 -1.9737 -0.6144 -0.6144 2.7992 2.7992 4.5551 4.5551 9.9770 9.9770 21.1394 21.1394 21.6363 21.6363 22.7304 22.7304 23.1039 23.1039 26.5580 26.5580 28.7799 28.7799 30.1806 30.1806 k = 0.2314-0.3843 0.3332 ( 760 PWs) bands (ev): -23.0482 -23.0482 -14.9347 -14.9347 -3.3640 -3.3640 -1.9444 -1.9444 -0.5592 -0.5592 2.8248 2.8248 4.5841 4.5841 9.9464 9.9464 21.1347 21.1347 21.6077 21.6077 22.7660 22.7660 23.0531 23.0531 26.5227 26.5227 28.7478 28.7478 30.2400 30.2400 k = 0.2269-0.3769 0.3332 ( 762 PWs) bands (ev): -23.0608 -23.0608 -14.9505 -14.9505 -3.3600 -3.3600 -1.9124 -1.9124 -0.5037 -0.5037 2.8528 2.8528 4.6129 4.6129 9.9154 9.9154 21.1317 21.1317 21.5780 21.5780 22.8017 22.8017 23.0058 23.0058 26.4869 26.4869 28.7115 28.7115 30.2856 30.2856 k = 0.2225-0.3695 0.3332 ( 762 PWs) bands (ev): -23.0737 -23.0737 -14.9666 -14.9666 -3.3564 -3.3564 -1.8778 -1.8778 -0.4479 -0.4479 2.8832 2.8832 4.6416 4.6416 9.8840 9.8840 21.1304 21.1304 21.5482 21.5482 22.8288 22.8288 22.9696 22.9696 26.4505 26.4505 28.6725 28.6725 30.3150 30.3150 k = 0.2180-0.3622 0.3332 ( 762 PWs) bands (ev): -23.0869 -23.0869 -14.9832 -14.9832 -3.3533 -3.3533 -1.8406 -1.8406 -0.3919 -0.3919 2.9159 2.9159 4.6700 4.6700 9.8524 9.8524 21.1303 21.1303 21.5192 21.5192 22.8282 22.8282 22.9630 22.9630 26.4135 26.4135 28.6317 28.6317 30.3263 30.3263 k = 0.2136-0.3548 0.3332 ( 762 PWs) bands (ev): -23.1003 -23.1003 -15.0001 -15.0001 -3.3505 -3.3505 -1.8010 -1.8010 -0.3357 -0.3357 2.9509 2.9509 4.6982 4.6982 9.8205 9.8205 21.1309 21.1309 21.4918 21.4918 22.7963 22.7963 22.9892 22.9892 26.3757 26.3757 28.5898 28.5898 30.3183 30.3183 k = 0.2091-0.3474 0.3332 ( 762 PWs) bands (ev): -23.1140 -23.1140 -15.0174 -15.0174 -3.3481 -3.3481 -1.7589 -1.7589 -0.2794 -0.2794 2.9881 2.9881 4.7261 4.7261 9.7885 9.7885 21.1319 21.1319 21.4664 21.4664 22.7521 22.7521 23.0288 23.0288 26.3370 26.3370 28.5469 28.5469 30.2909 30.2909 k = 0.2047-0.3400 0.3332 ( 762 PWs) bands (ev): -23.1279 -23.1279 -15.0351 -15.0351 -3.3461 -3.3461 -1.7144 -1.7144 -0.2231 -0.2231 3.0274 3.0274 4.7538 4.7538 9.7562 9.7562 21.1325 21.1325 21.4435 21.4435 22.7051 22.7051 23.0725 23.0725 26.2973 26.2973 28.5033 28.5033 30.2445 30.2445 k = 0.2002-0.3326 0.3332 ( 762 PWs) bands (ev): -23.1420 -23.1420 -15.0530 -15.0530 -3.3444 -3.3444 -1.6676 -1.6676 -0.1669 -0.1669 3.0687 3.0687 4.7812 4.7812 9.7239 9.7239 21.1321 21.1321 21.4233 21.4233 22.6585 22.6585 23.1173 23.1173 26.2566 26.2566 28.4589 28.4589 30.1808 30.1808 k = 0.1958-0.3252 0.3332 ( 760 PWs) bands (ev): -23.1564 -23.1564 -15.0712 -15.0712 -3.3431 -3.3431 -1.6185 -1.6185 -0.1106 -0.1106 3.1119 3.1119 4.8082 4.8082 9.6915 9.6915 21.1298 21.1298 21.4061 21.4061 22.6137 22.6137 23.1619 23.1619 26.2148 26.2148 28.4134 28.4134 30.1022 30.1022 k = 0.1913-0.3178 0.3332 ( 758 PWs) bands (ev): -23.1708 -23.1708 -15.0897 -15.0897 -3.3420 -3.3420 -1.5673 -1.5673 -0.0546 -0.0546 3.1569 3.1569 4.8350 4.8350 9.6590 9.6590 21.1246 21.1246 21.3922 21.3922 22.5722 22.5722 23.2058 23.2058 26.1718 26.1718 28.3664 28.3664 30.0119 30.0119 k = 0.1869-0.3104 0.3332 ( 758 PWs) bands (ev): -23.1855 -23.1855 -15.1084 -15.1084 -3.3412 -3.3412 -1.5140 -1.5140 0.0013 0.0013 3.2037 3.2037 4.8614 4.8614 9.6266 9.6266 21.1155 21.1155 21.3816 21.3816 22.5349 22.5349 23.2485 23.2485 26.1275 26.1275 28.3170 28.3170 29.9135 29.9135 k = 0.1824-0.3030 0.3332 ( 758 PWs) bands (ev): -23.2002 -23.2002 -15.1272 -15.1272 -3.3408 -3.3408 -1.4588 -1.4588 0.0570 0.0570 3.2520 3.2520 4.8874 4.8874 9.5942 9.5942 21.1013 21.1013 21.3744 21.3744 22.5030 22.5030 23.2897 23.2897 26.0820 26.0820 28.2645 28.2645 29.8110 29.8110 k = 0.1780-0.2956 0.3332 ( 758 PWs) bands (ev): -23.2151 -23.2151 -15.1462 -15.1462 -3.3406 -3.3406 -1.4017 -1.4017 0.1123 0.1123 3.3019 3.3019 4.9132 4.9132 9.5619 9.5619 21.0809 21.0809 21.3708 21.3708 22.4776 22.4776 23.3291 23.3291 26.0352 26.0352 28.2076 28.2076 29.7082 29.7082 k = 0.1735-0.2882 0.3332 ( 756 PWs) bands (ev): -23.2300 -23.2300 -15.1653 -15.1653 -3.3406 -3.3406 -1.3428 -1.3428 0.1674 0.1674 3.3531 3.3531 4.9386 4.9386 9.5297 9.5297 21.0534 21.0534 21.3706 21.3706 22.4595 22.4595 23.3667 23.3667 25.9871 25.9871 28.1452 28.1452 29.6091 29.6091 k = 0.1691-0.2809 0.3332 ( 756 PWs) bands (ev): -23.2450 -23.2450 -15.1844 -15.1844 -3.3409 -3.3409 -1.2822 -1.2822 0.2220 0.2220 3.4055 3.4055 4.9637 4.9637 9.4977 9.4977 21.0179 21.0179 21.3740 21.3740 22.4496 22.4496 23.4022 23.4022 25.9378 25.9378 28.0761 28.0761 29.5169 29.5169 k = 0.1646-0.2735 0.3332 ( 758 PWs) bands (ev): -23.2599 -23.2599 -15.2037 -15.2037 -3.3414 -3.3414 -1.2202 -1.2202 0.2762 0.2762 3.4590 3.4590 4.9885 4.9885 9.4660 9.4660 20.9739 20.9739 21.3809 21.3809 22.4482 22.4482 23.4355 23.4355 25.8872 25.8872 27.9995 27.9995 29.4347 29.4347 k = 0.1602-0.2661 0.3332 ( 756 PWs) bands (ev): -23.2749 -23.2749 -15.2228 -15.2228 -3.3421 -3.3421 -1.1567 -1.1567 0.3300 0.3300 3.5135 3.5135 5.0130 5.0130 9.4345 9.4345 20.9213 20.9213 21.3914 21.3914 22.4557 22.4557 23.4665 23.4665 25.8355 25.8355 27.9147 27.9147 29.3644 29.3644 k = 0.1557-0.2587 0.3332 ( 756 PWs) bands (ev): -23.2898 -23.2898 -15.2420 -15.2420 -3.3430 -3.3430 -1.0919 -1.0919 0.3832 0.3832 3.5688 3.5688 5.0372 5.0372 9.4033 9.4033 20.8601 20.8601 21.4053 21.4053 22.4717 22.4717 23.4952 23.4952 25.7826 25.7826 27.8221 27.8221 29.3074 29.3074 k = 0.1513-0.2513 0.3332 ( 756 PWs) bands (ev): -23.3047 -23.3047 -15.2611 -15.2611 -3.3441 -3.3441 -1.0261 -1.0261 0.4358 0.4358 3.6246 3.6246 5.0611 5.0611 9.3724 9.3724 20.7907 20.7907 21.4228 21.4228 22.4960 22.4960 23.5213 23.5213 25.7288 25.7288 27.7223 27.7223 29.2641 29.2641 k = 0.1468-0.2439 0.3332 ( 754 PWs) bands (ev): -23.3195 -23.3195 -15.2800 -15.2800 -3.3454 -3.3454 -0.9593 -0.9593 0.4879 0.4879 3.6810 3.6810 5.0849 5.0849 9.3419 9.3419 20.7137 20.7137 21.4436 21.4436 22.5280 22.5280 23.5449 23.5449 25.6741 25.6741 27.6165 27.6165 29.2340 29.2340 k = 0.1424-0.2365 0.3332 ( 754 PWs) bands (ev): -23.3341 -23.3341 -15.2989 -15.2989 -3.3468 -3.3468 -0.8916 -0.8916 0.5393 0.5393 3.7376 3.7376 5.1085 5.1085 9.3119 9.3119 20.6297 20.6297 21.4679 21.4679 22.5671 22.5671 23.5659 23.5659 25.6186 25.6186 27.5063 27.5063 29.2165 29.2165 k = 0.1379-0.2291 0.3332 ( 756 PWs) bands (ev): -23.3487 -23.3487 -15.3175 -15.3175 -3.3484 -3.3484 -0.8234 -0.8234 0.5901 0.5901 3.7943 3.7943 5.1320 5.1320 9.2822 9.2822 20.5395 20.5395 21.4955 21.4955 22.6126 22.6126 23.5842 23.5842 25.5625 25.5625 27.3933 27.3933 29.2104 29.2104 k = 0.1335-0.2217 0.3332 ( 756 PWs) bands (ev): -23.3631 -23.3631 -15.3360 -15.3360 -3.3501 -3.3501 -0.7547 -0.7547 0.6402 0.6402 3.8508 3.8508 5.1553 5.1553 9.2531 9.2531 20.4439 20.4439 21.5263 21.5263 22.6638 22.6638 23.5997 23.5997 25.5059 25.5059 27.2788 27.2788 29.2148 29.2148 k = 0.1290-0.2143 0.3332 ( 758 PWs) bands (ev): -23.3773 -23.3773 -15.3542 -15.3542 -3.3520 -3.3520 -0.6856 -0.6856 0.6895 0.6895 3.9071 3.9071 5.1787 5.1787 9.2245 9.2245 20.3435 20.3435 21.5603 21.5603 22.7202 22.7202 23.6125 23.6125 25.4492 25.4492 27.1642 27.1642 29.2287 29.2287 k = 0.1246-0.2069 0.3332 ( 760 PWs) bands (ev): -23.3912 -23.3912 -15.3721 -15.3721 -3.3540 -3.3540 -0.6165 -0.6165 0.7381 0.7381 3.9628 3.9628 5.2020 5.2020 9.1964 9.1964 20.2391 20.2391 21.5973 21.5973 22.7811 22.7811 23.6223 23.6223 25.3924 25.3924 27.0506 27.0506 29.2509 29.2509 k = 0.1201-0.1996 0.3332 ( 760 PWs) bands (ev): -23.4050 -23.4050 -15.3897 -15.3897 -3.3560 -3.3560 -0.5475 -0.5475 0.7859 0.7859 4.0178 4.0178 5.2255 5.2255 9.1690 9.1690 20.1315 20.1315 21.6372 21.6372 22.8461 22.8461 23.6292 23.6292 25.3358 25.3358 26.9389 26.9389 29.2808 29.2808 k = 0.1157-0.1922 0.3332 ( 760 PWs) bands (ev): -23.4184 -23.4184 -15.4070 -15.4070 -3.3581 -3.3581 -0.4788 -0.4788 0.8330 0.8330 4.0719 4.0719 5.2491 5.2491 9.1421 9.1421 20.0212 20.0212 21.6798 21.6798 22.9146 22.9146 23.6332 23.6332 25.2797 25.2797 26.8297 26.8297 29.3176 29.3176 k = 0.1112-0.1848 0.3332 ( 760 PWs) bands (ev): -23.4316 -23.4316 -15.4239 -15.4239 -3.3603 -3.3603 -0.4107 -0.4107 0.8792 0.8792 4.1247 4.1247 5.2730 5.2730 9.1159 9.1159 19.9089 19.9089 21.7250 21.7250 22.9861 22.9861 23.6343 23.6343 25.2244 25.2244 26.7237 26.7237 29.3605 29.3605 k = 0.1068-0.1774 0.3332 ( 758 PWs) bands (ev): -23.4444 -23.4444 -15.4404 -15.4404 -3.3626 -3.3626 -0.3432 -0.3432 0.9245 0.9245 4.1761 4.1761 5.2971 5.2971 9.0904 9.0904 19.7953 19.7953 21.7727 21.7727 23.0601 23.0601 23.6324 23.6324 25.1701 25.1701 26.6211 26.6211 29.4090 29.4090 k = 0.1023-0.1700 0.3332 ( 760 PWs) bands (ev): -23.4569 -23.4569 -15.4565 -15.4565 -3.3649 -3.3649 -0.2767 -0.2767 0.9690 0.9690 4.2258 4.2258 5.3215 5.3215 9.0657 9.0657 19.6810 19.6810 21.8225 21.8225 23.1363 23.1363 23.6276 23.6276 25.1172 25.1172 26.5224 26.5224 29.4623 29.4624 k = 0.0979-0.1626 0.3332 ( 760 PWs) bands (ev): -23.4690 -23.4690 -15.4721 -15.4721 -3.3672 -3.3672 -0.2114 -0.2114 1.0126 1.0126 4.2737 4.2737 5.3463 5.3463 9.0416 9.0416 19.5666 19.5666 21.8743 21.8743 23.2140 23.2140 23.6200 23.6200 25.0659 25.0659 26.4276 26.4276 29.5197 29.5197 k = 0.0934-0.1552 0.3332 ( 760 PWs) bands (ev): -23.4808 -23.4808 -15.4872 -15.4872 -3.3695 -3.3695 -0.1475 -0.1475 1.0553 1.0553 4.3196 4.3196 5.3715 5.3715 9.0184 9.0184 19.4526 19.4526 21.9278 21.9278 23.2926 23.2926 23.6101 23.6101 25.0166 25.0166 26.3370 26.3370 29.5787 29.5787 k = 0.0890-0.1478 0.3332 ( 760 PWs) bands (ev): -23.4922 -23.4922 -15.5017 -15.5017 -3.3718 -3.3718 -0.0852 -0.0852 1.0971 1.0971 4.3632 4.3632 5.3971 5.3971 8.9959 8.9959 19.3397 19.3397 21.9828 21.9828 23.3708 23.3708 23.5987 23.5987 24.9694 24.9694 26.2505 26.2505 29.6261 29.6261 k = 0.0845-0.1404 0.3332 ( 760 PWs) bands (ev): -23.5031 -23.5031 -15.5157 -15.5157 -3.3741 -3.3741 -0.0247 -0.0247 1.1378 1.1378 4.4045 4.4045 5.4231 5.4231 8.9743 8.9743 19.2283 19.2283 22.0389 22.0389 23.4455 23.4455 23.5889 23.5889 24.9246 24.9246 26.1683 26.1683 29.5906 29.5906 k = 0.0801-0.1330 0.3332 ( 760 PWs) bands (ev): -23.5136 -23.5136 -15.5292 -15.5292 -3.3764 -3.3764 0.0337 0.0337 1.1775 1.1775 4.4432 4.4432 5.4494 5.4494 8.9535 8.9535 19.1191 19.1191 22.0960 22.0960 23.5017 23.5017 23.5952 23.5952 24.8824 24.8824 26.0902 26.0902 29.5080 29.5080 k = 0.0756-0.1256 0.3332 ( 758 PWs) bands (ev): -23.5237 -23.5237 -15.5420 -15.5420 -3.3786 -3.3786 0.0899 0.0899 1.2162 1.2162 4.4794 4.4794 5.4759 5.4759 8.9337 8.9337 19.0125 19.0125 22.1536 22.1536 23.5111 23.5111 23.6458 23.6458 24.8429 24.8429 26.0163 26.0163 29.4208 29.4208 k = 0.0712-0.1183 0.3332 ( 758 PWs) bands (ev): -23.5333 -23.5333 -15.5543 -15.5543 -3.3808 -3.3808 0.1436 0.1436 1.2536 1.2536 4.5129 4.5129 5.5026 5.5026 8.9147 8.9147 18.9090 18.9090 22.2113 22.2113 23.4957 23.4957 23.7188 23.7188 24.8063 24.8063 25.9465 25.9465 29.3341 29.3341 k = 0.0667-0.1109 0.3332 ( 760 PWs) bands (ev): -23.5423 -23.5423 -15.5659 -15.5659 -3.3829 -3.3829 0.1948 0.1948 1.2898 1.2898 4.5438 4.5438 5.5292 5.5292 8.8967 8.8967 18.8092 18.8092 22.2688 22.2688 23.4733 23.4733 23.7961 23.7961 24.7727 24.7727 25.8807 25.8807 29.2492 29.2492 k = 0.0623-0.1035 0.3332 ( 758 PWs) bands (ev): -23.5509 -23.5509 -15.5769 -15.5769 -3.3849 -3.3849 0.2431 0.2431 1.3247 1.3247 4.5720 4.5720 5.5557 5.5557 8.8797 8.8797 18.7134 18.7134 22.3258 22.3258 23.4481 23.4481 23.8735 23.8735 24.7419 24.7419 25.8188 25.8188 29.1669 29.1669 k = 0.0578-0.0961 0.3332 ( 758 PWs) bands (ev): -23.5589 -23.5589 -15.5872 -15.5872 -3.3869 -3.3869 0.2886 0.2886 1.3581 1.3581 4.5976 4.5976 5.5818 5.5818 8.8637 8.8637 18.6222 18.6222 22.3817 22.3817 23.4215 23.4215 23.9497 23.9497 24.7141 24.7141 25.7608 25.7608 29.0879 29.0879 k = 0.0534-0.0887 0.3332 ( 758 PWs) bands (ev): -23.5664 -23.5664 -15.5968 -15.5968 -3.3887 -3.3887 0.3310 0.3310 1.3899 1.3899 4.6206 4.6206 5.6072 5.6072 8.8488 8.8488 18.5360 18.5360 22.4360 22.4360 23.3941 23.3941 24.0239 24.0239 24.6891 24.6891 25.7065 25.7065 29.0124 29.0124 k = 0.0489-0.0813 0.3332 ( 758 PWs) bands (ev): -23.5734 -23.5734 -15.6057 -15.6057 -3.3904 -3.3904 0.3702 0.3702 1.4200 1.4200 4.6412 4.6412 5.6318 5.6318 8.8349 8.8349 18.4551 18.4551 22.4884 22.4884 23.3668 23.3668 24.0953 24.0953 24.6671 24.6671 25.6559 25.6559 28.9411 28.9411 k = 0.0445-0.0739 0.3332 ( 758 PWs) bands (ev): -23.5798 -23.5798 -15.6139 -15.6139 -3.3921 -3.3921 0.4062 0.4062 1.4482 1.4482 4.6595 4.6595 5.6553 5.6553 8.8220 8.8220 18.3799 18.3799 22.5384 22.5384 23.3400 23.3400 24.1632 24.1632 24.6478 24.6478 25.6088 25.6088 28.8742 28.8742 k = 0.0400-0.0665 0.3332 ( 754 PWs) bands (ev): -23.5855 -23.5855 -15.6213 -15.6213 -3.3935 -3.3935 0.4389 0.4389 1.4744 1.4744 4.6756 4.6756 5.6775 5.6775 8.8104 8.8104 18.3108 18.3108 22.5854 22.5854 23.3143 23.3143 24.2270 24.2270 24.6315 24.6315 25.5654 25.5654 28.8123 28.8123 k = 0.0356-0.0591 0.3332 ( 754 PWs) bands (ev): -23.5907 -23.5907 -15.6280 -15.6280 -3.3949 -3.3949 0.4682 0.4682 1.4983 1.4983 4.6896 4.6896 5.6980 5.6980 8.7998 8.7998 18.2481 18.2481 22.6290 22.6290 23.2900 23.2900 24.2859 24.2859 24.6182 24.6182 25.5255 25.5255 28.7556 28.7556 k = 0.0311-0.0517 0.3332 ( 752 PWs) bands (ev): -23.5954 -23.5954 -15.6339 -15.6339 -3.3961 -3.3961 0.4942 0.4942 1.5200 1.5200 4.7016 4.7016 5.7168 5.7168 8.7905 8.7905 18.1921 18.1921 22.6687 22.6687 23.2678 23.2678 24.3388 24.3388 24.6082 24.6082 25.4893 25.4893 28.7046 28.7046 k = 0.0267-0.0443 0.3332 ( 748 PWs) bands (ev): -23.5994 -23.5994 -15.6391 -15.6391 -3.3971 -3.3971 0.5167 0.5167 1.5391 1.5391 4.7117 4.7117 5.7335 5.7335 8.7823 8.7823 18.1430 18.1430 22.7040 22.7040 23.2479 23.2479 24.3846 24.3846 24.6020 24.6020 25.4568 25.4568 28.6595 28.6595 k = 0.0222-0.0370 0.3332 ( 752 PWs) bands (ev): -23.6028 -23.6028 -15.6435 -15.6435 -3.3981 -3.3981 0.5357 0.5357 1.5556 1.5556 4.7201 4.7201 5.7480 5.7480 8.7754 8.7754 18.1011 18.1011 22.7345 22.7345 23.2306 23.2306 24.4219 24.4219 24.6001 24.6001 25.4284 25.4284 28.6207 28.6207 k = 0.0178-0.0296 0.3332 ( 754 PWs) bands (ev): -23.6056 -23.6056 -15.6471 -15.6471 -3.3988 -3.3988 0.5513 0.5513 1.5692 1.5692 4.7268 4.7268 5.7601 5.7601 8.7696 8.7696 18.0665 18.0665 22.7599 22.7599 23.2162 23.2162 24.4497 24.4497 24.6028 24.6028 25.4042 25.4042 28.5886 28.5886 k = 0.0133-0.0222 0.3332 ( 754 PWs) bands (ev): -23.6078 -23.6078 -15.6499 -15.6499 -3.3994 -3.3994 0.5634 0.5634 1.5800 1.5800 4.7319 4.7319 5.7696 5.7696 8.7652 8.7652 18.0394 18.0394 22.7799 22.7799 23.2049 23.2049 24.4681 24.4681 24.6094 24.6094 25.3847 25.3847 28.5633 28.5633 k = 0.0089-0.0148 0.3332 ( 754 PWs) bands (ev): -23.6094 -23.6094 -15.6519 -15.6519 -3.3998 -3.3998 0.5721 0.5721 1.5878 1.5878 4.7356 4.7356 5.7765 5.7765 8.7620 8.7620 18.0200 18.0200 22.7943 22.7943 23.1968 23.1968 24.4787 24.4787 24.6172 24.6172 25.3703 25.3703 28.5450 28.5450 k = 0.0044-0.0074 0.3332 ( 752 PWs) bands (ev): -23.6103 -23.6103 -15.6531 -15.6531 -3.4001 -3.4001 0.5773 0.5773 1.5924 1.5924 4.7377 4.7377 5.7807 5.7807 8.7600 8.7600 18.0083 18.0083 22.8030 22.8030 23.1919 23.1919 24.4839 24.4839 24.6234 24.6234 25.3615 25.3615 28.5340 28.5340 k = 0.0000 0.0000 0.3332 ( 754 PWs) bands (ev): -23.6106 -23.6106 -15.6535 -15.6535 -3.4001 -3.4001 0.5790 0.5790 1.5940 1.5940 4.7384 4.7384 5.7821 5.7821 8.7594 8.7594 18.0044 18.0044 22.8059 22.8059 23.1903 23.1903 24.4854 24.4854 24.6257 24.6257 25.3585 25.3585 28.5304 28.5304 k = 0.0000 0.0000 0.3332 ( 754 PWs) bands (ev): -23.6106 -23.6106 -15.6535 -15.6535 -3.4001 -3.4001 0.5790 0.5790 1.5940 1.5940 4.7384 4.7384 5.7821 5.7821 8.7594 8.7594 18.0044 18.0044 22.8059 22.8059 23.1903 23.1903 24.4854 24.4854 24.6257 24.6257 25.3585 25.3585 28.5304 28.5304 k = 0.0074 0.0045 0.3332 ( 754 PWs) bands (ev): -23.6102 -23.6102 -15.6531 -15.6531 -3.4002 -3.4002 0.5775 0.5775 1.5917 1.5917 4.7380 4.7380 5.7816 5.7816 8.7598 8.7598 18.0068 18.0068 22.8093 22.8093 23.1929 23.1929 24.4834 24.4834 24.6244 24.6244 25.3514 25.3514 28.5312 28.5312 k = 0.0148 0.0089 0.3332 ( 753 PWs) bands (ev): -23.6091 -23.6091 -15.6519 -15.6519 -3.4003 -3.4003 0.5729 0.5729 1.5846 1.5846 4.7365 4.7365 5.7800 5.7800 8.7609 8.7609 18.0140 18.0140 22.8193 22.8193 23.2009 23.2009 24.4768 24.4768 24.6212 24.6212 25.3302 25.3302 28.5335 28.5335 k = 0.0223 0.0134 0.3332 ( 753 PWs) bands (ev): -23.6072 -23.6072 -15.6500 -15.6500 -3.4004 -3.4004 0.5651 0.5651 1.5731 1.5731 4.7341 4.7341 5.7775 5.7775 8.7629 8.7629 18.0261 18.0261 22.8358 22.8358 23.2142 23.2142 24.4640 24.4640 24.6177 24.6177 25.2958 25.2958 28.5364 28.5364 k = 0.0297 0.0179 0.3332 ( 757 PWs) bands (ev): -23.6046 -23.6046 -15.6473 -15.6473 -3.4006 -3.4006 0.5542 0.5542 1.5571 1.5571 4.7306 4.7306 5.7738 5.7738 8.7655 8.7655 18.0429 18.0429 22.8586 22.8586 23.2328 23.2328 24.4428 24.4428 24.6160 24.6160 25.2496 25.2496 28.5389 28.5389 k = 0.0371 0.0223 0.3332 ( 753 PWs) bands (ev): -23.6012 -23.6012 -15.6437 -15.6437 -3.4008 -3.4008 0.5402 0.5402 1.5369 1.5369 4.7261 4.7261 5.7691 5.7691 8.7690 8.7690 18.0645 18.0645 22.8874 22.8874 23.2567 23.2567 24.4120 24.4120 24.6177 24.6177 25.1932 25.1932 28.5397 28.5397 k = 0.0445 0.0268 0.3332 ( 753 PWs) bands (ev): -23.5970 -23.5970 -15.6394 -15.6394 -3.4012 -3.4012 0.5229 0.5229 1.5128 1.5128 4.7204 4.7204 5.7633 5.7633 8.7733 8.7733 18.0908 18.0908 22.9215 22.9215 23.2859 23.2859 24.3712 24.3712 24.6232 24.6232 25.1286 25.1286 28.5374 28.5374 k = 0.0519 0.0313 0.3332 ( 753 PWs) bands (ev): -23.5921 -23.5921 -15.6344 -15.6344 -3.4015 -3.4015 0.5023 0.5023 1.4850 1.4850 4.7135 4.7135 5.7563 5.7563 8.7784 8.7784 18.1218 18.1218 22.9604 22.9604 23.3202 23.3202 24.3205 24.3205 24.6321 24.6321 25.0583 25.0583 28.5306 28.5306 k = 0.0593 0.0357 0.3332 ( 751 PWs) bands (ev): -23.5865 -23.5865 -15.6286 -15.6286 -3.4020 -3.4020 0.4783 0.4783 1.4540 1.4540 4.7053 4.7053 5.7481 5.7481 8.7843 8.7843 18.1573 18.1573 23.0033 23.0033 23.3596 23.3596 24.2607 24.2607 24.6440 24.6440 24.9847 24.9847 28.5182 28.5182 k = 0.0668 0.0402 0.3332 ( 753 PWs) bands (ev): -23.5802 -23.5802 -15.6221 -15.6221 -3.4026 -3.4026 0.4508 0.4508 1.4202 1.4202 4.6957 4.6957 5.7387 5.7387 8.7911 8.7911 18.1973 18.1973 23.0489 23.0489 23.4041 23.4041 24.1923 24.1923 24.6582 24.6582 24.9106 24.9106 28.4993 28.4993 k = 0.0742 0.0447 0.3332 ( 751 PWs) bands (ev): -23.5731 -23.5731 -15.6148 -15.6148 -3.4032 -3.4032 0.4198 0.4198 1.3838 1.3838 4.6847 4.6847 5.7281 5.7281 8.7987 8.7987 18.2416 18.2416 23.0961 23.0961 23.4536 23.4536 24.1158 24.1158 24.6738 24.6738 24.8394 24.8394 28.4734 28.4734 k = 0.0816 0.0491 0.3332 ( 751 PWs) bands (ev): -23.5654 -23.5654 -15.6068 -15.6068 -3.4039 -3.4039 0.3851 0.3851 1.3455 1.3455 4.6720 4.6720 5.7162 5.7162 8.8071 8.8071 18.2900 18.2900 23.1430 23.1430 23.5080 23.5080 24.0318 24.0318 24.6875 24.6875 24.7771 24.7771 28.4402 28.4402 k = 0.0890 0.0536 0.3332 ( 754 PWs) bands (ev): -23.5570 -23.5570 -15.5982 -15.5982 -3.4048 -3.4048 0.3467 0.3467 1.3054 1.3054 4.6578 4.6578 5.7030 5.7030 8.8164 8.8164 18.3424 18.3424 23.1875 23.1875 23.5670 23.5670 23.9411 23.9411 24.6808 24.6808 24.7449 24.7449 28.4000 28.4000 k = 0.0964 0.0580 0.3332 ( 752 PWs) bands (ev): -23.5478 -23.5478 -15.5889 -15.5889 -3.4058 -3.4058 0.3046 0.3046 1.2642 1.2642 4.6418 4.6418 5.6886 5.6886 8.8266 8.8266 18.3985 18.3985 23.2269 23.2269 23.6302 23.6302 23.8447 23.8447 24.6445 24.6445 24.7551 24.7551 28.3529 28.3529 k = 0.1038 0.0625 0.3332 ( 750 PWs) bands (ev): -23.5381 -23.5381 -15.5788 -15.5788 -3.4069 -3.4069 0.2587 0.2587 1.2221 1.2221 4.6241 4.6241 5.6730 5.6730 8.8376 8.8376 18.4580 18.4580 23.2585 23.2585 23.6934 23.6934 23.7476 23.7476 24.6118 24.6118 24.7776 24.7776 28.2997 28.2997 k = 0.1113 0.0670 0.3332 ( 748 PWs) bands (ev): -23.5277 -23.5277 -15.5681 -15.5681 -3.4081 -3.4081 0.2091 0.2091 1.1795 1.1795 4.6045 4.6045 5.6561 5.6561 8.8495 8.8495 18.5206 18.5206 23.2793 23.2793 23.6326 23.6326 23.7747 23.7747 24.5936 24.5936 24.8043 24.8043 28.2410 28.2410 k = 0.1187 0.0714 0.3332 ( 750 PWs) bands (ev): -23.5166 -23.5166 -15.5568 -15.5568 -3.4095 -3.4095 0.1558 0.1558 1.1367 1.1367 4.5831 4.5831 5.6381 5.6381 8.8622 8.8622 18.5858 18.5858 23.2868 23.2868 23.5252 23.5252 23.8498 23.8498 24.5932 24.5932 24.8339 24.8339 28.1778 28.1778 k = 0.1261 0.0759 0.3332 ( 754 PWs) bands (ev): -23.5051 -23.5051 -15.5449 -15.5449 -3.4111 -3.4111 0.0989 0.0989 1.0940 1.0940 4.5597 4.5597 5.6190 5.6190 8.8758 8.8758 18.6531 18.6531 23.2783 23.2783 23.4171 23.4171 23.9293 23.9293 24.6117 24.6117 24.8664 24.8664 28.1109 28.1109 k = 0.1335 0.0804 0.3332 ( 754 PWs) bands (ev): -23.4929 -23.4929 -15.5324 -15.5324 -3.4129 -3.4129 0.0385 0.0385 1.0515 1.0515 4.5344 4.5344 5.5988 5.5988 8.8901 8.8901 18.7221 18.7221 23.2441 23.2441 23.3204 23.3204 24.0118 24.0118 24.6482 24.6482 24.9022 24.9022 28.0415 28.0415 k = 0.1409 0.0848 0.3332 ( 756 PWs) bands (ev): -23.4802 -23.4802 -15.5193 -15.5193 -3.4148 -3.4148 -0.0251 -0.0251 1.0095 1.0095 4.5071 4.5071 5.5776 5.5776 8.9053 8.9053 18.7921 18.7921 23.1603 23.1603 23.2619 23.2619 24.0965 24.0965 24.7004 24.7004 24.9421 24.9421 27.9705 27.9705 k = 0.1483 0.0893 0.3332 ( 754 PWs) bands (ev): -23.4669 -23.4669 -15.5057 -15.5057 -3.4169 -3.4169 -0.0918 -0.0918 0.9680 0.9680 4.4779 4.4779 5.5556 5.5556 8.9213 8.9213 18.8624 18.8624 23.0519 23.0519 23.2198 23.2198 24.1823 24.1823 24.7653 24.7653 24.9872 24.9872 27.8991 27.8991 k = 0.1558 0.0938 0.3332 ( 752 PWs) bands (ev): -23.4531 -23.4531 -15.4915 -15.4915 -3.4192 -3.4192 -0.1614 -0.1614 0.9272 0.9272 4.4467 4.4467 5.5328 5.5328 8.9380 8.9380 18.9322 18.9322 22.9392 22.9392 23.1773 23.1773 24.2679 24.2679 24.8393 24.8393 25.0390 25.0390 27.8285 27.8285 k = 0.1632 0.0982 0.3332 ( 754 PWs) bands (ev): -23.4388 -23.4388 -15.4769 -15.4769 -3.4218 -3.4218 -0.2334 -0.2334 0.8870 0.8870 4.4136 4.4136 5.5093 5.5093 8.9554 8.9554 19.0007 19.0007 22.8261 22.8261 23.1338 23.1338 24.3516 24.3516 24.9193 24.9193 25.0993 25.0993 27.7600 27.7600 k = 0.1706 0.1027 0.3332 ( 762 PWs) bands (ev): -23.4242 -23.4242 -15.4619 -15.4619 -3.4246 -3.4246 -0.3078 -0.3078 0.8476 0.8476 4.3787 4.3787 5.4852 5.4852 8.9735 8.9735 19.0670 19.0670 22.7137 22.7137 23.0910 23.0910 24.4315 24.4315 25.0030 25.0030 25.1693 25.1693 27.6948 27.6948 k = 0.1780 0.1072 0.3332 ( 762 PWs) bands (ev): -23.4091 -23.4091 -15.4463 -15.4463 -3.4275 -3.4275 -0.3841 -0.3841 0.8088 0.8088 4.3418 4.3418 5.4607 5.4607 8.9923 8.9923 19.1301 19.1301 22.6028 22.6028 23.0507 23.0507 24.5057 24.5057 25.0897 25.0897 25.2492 25.2492 27.6345 27.6345 k = 0.1854 0.1116 0.3332 ( 760 PWs) bands (ev): -23.3935 -23.3935 -15.4303 -15.4303 -3.4307 -3.4307 -0.4621 -0.4621 0.7708 0.7708 4.3032 4.3032 5.4358 5.4358 9.0117 9.0117 19.1889 19.1889 22.4935 22.4935 23.0149 23.0149 24.5726 24.5726 25.1803 25.1803 25.3369 25.3369 27.5806 27.5806 k = 0.1928 0.1161 0.3332 ( 756 PWs) bands (ev): -23.3776 -23.3776 -15.4139 -15.4139 -3.4342 -3.4342 -0.5415 -0.5415 0.7334 0.7334 4.2630 4.2630 5.4106 5.4106 9.0316 9.0316 19.2426 19.2426 22.3862 22.3862 22.9849 22.9849 24.6312 24.6312 25.2754 25.2754 25.4303 25.4303 27.5350 27.5350 k = 0.2003 0.1206 0.3332 ( 756 PWs) bands (ev): -23.3614 -23.3614 -15.3972 -15.3972 -3.4379 -3.4379 -0.6221 -0.6221 0.6967 0.6967 4.2211 4.2211 5.3852 5.3852 9.0521 9.0521 19.2900 19.2900 22.2811 22.2811 22.9622 22.9622 24.6814 24.6814 25.3741 25.3741 25.5279 25.5279 27.4995 27.4995 k = 0.2077 0.1250 0.3332 ( 754 PWs) bands (ev): -23.3448 -23.3448 -15.3802 -15.3802 -3.4418 -3.4418 -0.7035 -0.7035 0.6607 0.6607 4.1778 4.1778 5.3597 5.3597 9.0730 9.0730 19.3305 19.3305 22.1782 22.1782 22.9478 22.9478 24.7238 24.7238 25.4726 25.4726 25.6303 25.6303 27.4762 27.4762 k = 0.2151 0.1295 0.3332 ( 756 PWs) bands (ev): -23.3280 -23.3280 -15.3629 -15.3629 -3.4459 -3.4459 -0.7856 -0.7856 0.6253 0.6253 4.1331 4.1331 5.3342 5.3342 9.0944 9.0944 19.3632 19.3632 22.0776 22.0776 22.9426 22.9426 24.7595 24.7595 25.5646 25.5646 25.7409 25.7409 27.4670 27.4670 k = 0.2225 0.1340 0.3332 ( 758 PWs) bands (ev): -23.3110 -23.3110 -15.3454 -15.3454 -3.4503 -3.4503 -0.8681 -0.8681 0.5906 0.5906 4.0871 4.0871 5.3088 5.3088 9.1162 9.1162 19.3877 19.3877 21.9795 21.9795 22.9468 22.9468 24.7894 24.7894 25.6438 25.6438 25.8629 25.8629 27.4734 27.4734 k = 0.2299 0.1384 0.3332 ( 757 PWs) bands (ev): -23.2938 -23.2938 -15.3276 -15.3276 -3.4549 -3.4549 -0.9507 -0.9507 0.5564 0.5564 4.0401 4.0401 5.2834 5.2834 9.1384 9.1384 19.4037 19.4037 21.8839 21.8839 22.9606 22.9606 24.8145 24.8145 25.7077 25.7077 25.9968 25.9968 27.4965 27.4965 k = 0.2373 0.1429 0.3332 ( 757 PWs) bands (ev): -23.2764 -23.2764 -15.3096 -15.3096 -3.4597 -3.4597 -1.0333 -1.0333 0.5229 0.5229 3.9921 3.9921 5.2583 5.2583 9.1610 9.1610 19.4112 19.4112 21.7909 21.7909 22.9835 22.9835 24.8355 24.8355 25.7571 25.7571 26.1408 26.1408 27.5363 27.5363 k = 0.2448 0.1474 0.3332 ( 759 PWs) bands (ev): -23.2588 -23.2588 -15.2915 -15.2915 -3.4647 -3.4647 -1.1157 -1.1157 0.4901 0.4901 3.9433 3.9433 5.2334 5.2334 9.1838 9.1838 19.4103 19.4103 21.7006 21.7006 23.0149 23.0149 24.8531 24.8531 25.7938 25.7938 26.2933 26.2933 27.5921 27.5921 k = 0.2522 0.1518 0.3332 ( 763 PWs) bands (ev): -23.2413 -23.2413 -15.2734 -15.2734 -3.4699 -3.4699 -1.1977 -1.1977 0.4579 0.4579 3.8938 3.8938 5.2088 5.2088 9.2069 9.2069 19.4014 19.4014 21.6129 21.6129 23.0537 23.0537 24.8678 24.8678 25.8204 25.8204 26.4527 26.4527 27.6623 27.6623 k = 0.2596 0.1563 0.3332 ( 763 PWs) bands (ev): -23.2236 -23.2236 -15.2551 -15.2551 -3.4752 -3.4752 -1.2790 -1.2790 0.4263 0.4263 3.8438 3.8438 5.1845 5.1845 9.2303 9.2303 19.3853 19.3853 21.5281 21.5281 23.0986 23.0986 24.8801 24.8801 25.8397 25.8397 26.6183 26.6183 27.7448 27.7448 k = 0.2670 0.1608 0.3332 ( 767 PWs) bands (ev): -23.2060 -23.2060 -15.2367 -15.2367 -3.4807 -3.4807 -1.3597 -1.3597 0.3954 0.3954 3.7935 3.7935 5.1606 5.1606 9.2538 9.2538 19.3626 19.3626 21.4461 21.4461 23.1479 23.1479 24.8901 24.8901 25.8543 25.8543 26.7893 26.7893 27.8372 27.8372 k = 0.2744 0.1652 0.3332 ( 767 PWs) bands (ev): -23.1883 -23.1883 -15.2184 -15.2184 -3.4863 -3.4863 -1.4395 -1.4395 0.3652 0.3652 3.7429 3.7429 5.1371 5.1371 9.2775 9.2775 19.3340 19.3340 21.3671 21.3671 23.2000 23.2000 24.8984 24.8984 25.8671 25.8671 26.9651 26.9651 27.9374 27.9374 k = 0.2819 0.1697 0.3332 ( 769 PWs) bands (ev): -23.1707 -23.1707 -15.2000 -15.2000 -3.4920 -3.4920 -1.5183 -1.5183 0.3356 0.3356 3.6923 3.6923 5.1141 5.1141 9.3014 9.3014 19.3005 19.3005 21.2911 21.2911 23.2532 23.2532 24.9050 24.9050 25.8802 25.8802 27.1454 27.1454 28.0432 28.0432 k = 0.2893 0.1741 0.3332 ( 770 PWs) bands (ev): -23.1533 -23.1533 -15.1817 -15.1817 -3.4978 -3.4978 -1.5959 -1.5959 0.3068 0.3068 3.6419 3.6419 5.0915 5.0915 9.3254 9.3254 19.2628 19.2628 21.2182 21.2182 23.3057 23.3057 24.9102 24.9102 25.8958 25.8958 27.3298 27.3298 28.1531 28.1531 k = 0.2967 0.1786 0.3332 ( 769 PWs) bands (ev): -23.1360 -23.1360 -15.1635 -15.1635 -3.5037 -3.5037 -1.6723 -1.6723 0.2787 0.2787 3.5916 3.5916 5.0694 5.0694 9.3495 9.3495 19.2217 19.2217 21.1486 21.1486 23.3558 23.3558 24.9142 24.9142 25.9154 25.9154 27.5181 27.5181 28.2657 28.2657 k = 0.3041 0.1831 0.3332 ( 769 PWs) bands (ev): -23.1188 -23.1188 -15.1454 -15.1454 -3.5095 -3.5095 -1.7474 -1.7474 0.2514 0.2514 3.5418 3.5418 5.0478 5.0478 9.3736 9.3736 19.1779 19.1779 21.0822 21.0822 23.4022 23.4022 24.9171 24.9171 25.9400 25.9400 27.7098 27.7098 28.3799 28.3799 k = 0.3115 0.1875 0.3332 ( 769 PWs) bands (ev): -23.1019 -23.1019 -15.1275 -15.1275 -3.5153 -3.5153 -1.8210 -1.8210 0.2248 0.2248 3.4924 3.4924 5.0268 5.0268 9.3978 9.3978 19.1321 19.1321 21.0191 21.0191 23.4438 23.4438 24.9191 24.9191 25.9703 25.9703 27.9048 27.9048 28.4950 28.4950 k = 0.3189 0.1920 0.3332 ( 769 PWs) bands (ev): -23.0853 -23.0853 -15.1097 -15.1097 -3.5211 -3.5211 -1.8930 -1.8930 0.1991 0.1991 3.4437 3.4437 5.0063 5.0063 9.4221 9.4221 19.0849 19.0849 20.9594 20.9594 23.4798 23.4798 24.9204 24.9204 26.0064 26.0064 28.1026 28.1026 28.6105 28.6105 k = 0.3264 0.1965 0.3332 ( 769 PWs) bands (ev): -23.0690 -23.0690 -15.0922 -15.0922 -3.5269 -3.5269 -1.9633 -1.9633 0.1742 0.1742 3.3958 3.3958 4.9864 4.9864 9.4464 9.4464 19.0368 19.0368 20.9032 20.9032 23.5096 23.5096 24.9210 24.9210 26.0481 26.0481 28.3028 28.3028 28.7262 28.7262 k = 0.3338 0.2009 0.3332 ( 767 PWs) bands (ev): -23.0531 -23.0531 -15.0750 -15.0750 -3.5325 -3.5325 -2.0319 -2.0319 0.1501 0.1501 3.3488 3.3488 4.9671 4.9671 9.4708 9.4708 18.9883 18.9883 20.8505 20.8505 23.5331 23.5331 24.9212 24.9212 26.0946 26.0946 28.5048 28.5048 28.8424 28.8424 k = 0.3412 0.2054 0.3332 ( 768 PWs) bands (ev): -23.0375 -23.0375 -15.0580 -15.0580 -3.5380 -3.5380 -2.0987 -2.0987 0.1269 0.1269 3.3027 3.3027 4.9485 4.9485 9.4951 9.4951 18.9398 18.9398 20.8013 20.8013 23.5505 23.5505 24.9210 24.9210 26.1448 26.1448 28.7076 28.7076 28.9597 28.9597 k = 0.3486 0.2099 0.3332 ( 770 PWs) bands (ev): -23.0224 -23.0224 -15.0413 -15.0413 -3.5435 -3.5435 -2.1635 -2.1635 0.1047 0.1047 3.2578 3.2578 4.9304 4.9304 9.5194 9.5194 18.8917 18.8917 20.7556 20.7556 23.5622 23.5622 24.9205 24.9205 26.1976 26.1976 28.9086 28.9086 29.0805 29.0805 k = 0.3560 0.2143 0.3332 ( 772 PWs) bands (ev): -23.0078 -23.0078 -15.0250 -15.0250 -3.5488 -3.5488 -2.2262 -2.2262 0.0833 0.0833 3.2140 3.2140 4.9131 4.9131 9.5438 9.5438 18.8444 18.8444 20.7136 20.7136 23.5688 23.5688 24.9198 24.9198 26.2516 26.2516 29.0984 29.0984 29.2138 29.2138 k = 0.3634 0.2188 0.3332 ( 771 PWs) bands (ev): -22.9937 -22.9937 -15.0091 -15.0091 -3.5541 -3.5541 -2.2868 -2.2868 0.0630 0.0630 3.1715 3.1715 4.8964 4.8964 9.5682 9.5682 18.7980 18.7980 20.6750 20.6750 23.5708 23.5708 24.9192 24.9192 26.3053 26.3053 29.2552 29.2552 29.3811 29.3811 k = 0.3709 0.2233 0.3332 ( 773 PWs) bands (ev): -22.9802 -22.9802 -14.9935 -14.9935 -3.5592 -3.5592 -2.3451 -2.3451 0.0436 0.0436 3.1304 3.1304 4.8804 4.8804 9.5925 9.5925 18.7529 18.7529 20.6401 20.6401 23.5690 23.5690 24.9186 24.9186 26.3574 26.3574 29.3829 29.3829 29.5778 29.5778 k = 0.3783 0.2277 0.3332 ( 773 PWs) bands (ev): -22.9672 -22.9672 -14.9784 -14.9784 -3.5643 -3.5643 -2.4010 -2.4010 0.0251 0.0251 3.0907 3.0907 4.8651 4.8651 9.6169 9.6169 18.7093 18.7093 20.6087 20.6087 23.5641 23.5641 24.9182 24.9182 26.4067 26.4067 29.5006 29.5006 29.7842 29.7842 k = 0.3857 0.2322 0.3332 ( 773 PWs) bands (ev): -22.9548 -22.9548 -14.9638 -14.9638 -3.5695 -3.5695 -2.4543 -2.4543 0.0077 0.0077 3.0526 3.0526 4.8505 4.8505 9.6413 9.6413 18.6673 18.6673 20.5808 20.5808 23.5567 23.5567 24.9181 24.9181 26.4522 26.4522 29.6140 29.6140 29.9935 29.9935 k = 0.3931 0.2367 0.3332 ( 773 PWs) bands (ev): -22.9431 -22.9431 -14.9496 -14.9496 -3.5747 -3.5747 -2.5049 -2.5049 -0.0086 -0.0086 3.0160 3.0160 4.8367 4.8367 9.6657 9.6657 18.6272 18.6272 20.5565 20.5565 23.5475 23.5475 24.9183 24.9183 26.4931 26.4931 29.7240 29.7240 30.2033 30.2033 k = 0.4005 0.2411 0.3332 ( 772 PWs) bands (ev): -22.9321 -22.9321 -14.9359 -14.9359 -3.5801 -3.5801 -2.5526 -2.5526 -0.0239 -0.0239 2.9811 2.9811 4.8236 4.8236 9.6902 9.6902 18.5891 18.5891 20.5355 20.5355 23.5370 23.5370 24.9190 24.9190 26.5287 26.5287 29.8301 29.8301 30.4123 30.4123 k = 0.4079 0.2456 0.3332 ( 774 PWs) bands (ev): -22.9219 -22.9219 -14.9228 -14.9228 -3.5858 -3.5858 -2.5973 -2.5973 -0.0381 -0.0381 2.9479 2.9479 4.8113 4.8113 9.7146 9.7146 18.5532 18.5532 20.5180 20.5180 23.5258 23.5258 24.9202 24.9202 26.5588 26.5588 29.9315 29.9315 30.6197 30.6197 k = 0.4154 0.2501 0.3332 ( 776 PWs) bands (ev): -22.9123 -22.9123 -14.9103 -14.9103 -3.5919 -3.5919 -2.6387 -2.6387 -0.0513 -0.0513 2.9165 2.9165 4.7997 4.7997 9.7392 9.7392 18.5195 18.5195 20.5037 20.5037 23.5143 23.5143 24.9219 24.9219 26.5830 26.5830 30.0269 30.0269 30.8243 30.8243 k = 0.4228 0.2545 0.3332 ( 775 PWs) bands (ev): -22.9036 -22.9036 -14.8982 -14.8982 -3.5986 -3.5986 -2.6766 -2.6766 -0.0633 -0.0633 2.8869 2.8869 4.7890 4.7890 9.7637 9.7637 18.4882 18.4882 20.4927 20.4927 23.5028 23.5028 24.9244 24.9244 26.6014 26.6014 30.1150 30.1150 31.0252 31.0252 k = 0.4302 0.2590 0.3332 ( 777 PWs) bands (ev): -22.8956 -22.8956 -14.8868 -14.8868 -3.6060 -3.6060 -2.7107 -2.7107 -0.0742 -0.0742 2.8592 2.8592 4.7790 4.7790 9.7884 9.7884 18.4594 18.4594 20.4849 20.4849 23.4918 23.4918 24.9275 24.9275 26.6140 26.6140 30.1944 30.1944 31.2210 31.2210 k = 0.4376 0.2635 0.3332 ( 777 PWs) bands (ev): -22.8885 -22.8885 -14.8760 -14.8760 -3.6144 -3.6144 -2.7409 -2.7409 -0.0839 -0.0839 2.8334 2.8334 4.7698 4.7698 9.8131 9.8131 18.4331 18.4331 20.4801 20.4801 23.4815 23.4815 24.9314 24.9314 26.6210 26.6210 30.2642 30.2642 31.4104 31.4104 k = 0.4450 0.2679 0.3332 ( 775 PWs) bands (ev): -22.8822 -22.8822 -14.8657 -14.8657 -3.6239 -3.6239 -2.7670 -2.7670 -0.0926 -0.0926 2.8095 2.8095 4.7615 4.7615 9.8380 9.8380 18.4095 18.4095 20.4783 20.4783 23.4723 23.4723 24.9361 24.9361 26.6226 26.6226 30.3236 30.3236 31.5916 31.5916 k = 0.4524 0.2724 0.3332 ( 775 PWs) bands (ev): -22.8768 -22.8768 -14.8561 -14.8561 -3.6346 -3.6346 -2.7887 -2.7887 -0.1000 -0.1000 2.7876 2.7876 4.7539 4.7539 9.8629 9.8629 18.3885 18.3885 20.4794 20.4794 23.4642 23.4642 24.9418 24.9418 26.6191 26.6191 30.3720 30.3720 31.7626 31.7626 k = 0.4599 0.2768 0.3332 ( 774 PWs) bands (ev): -22.8723 -22.8723 -14.8471 -14.8471 -3.6466 -3.6466 -2.8059 -2.8059 -0.1063 -0.1063 2.7678 2.7678 4.7472 4.7472 9.8880 9.8880 18.3704 18.3704 20.4832 20.4832 23.4576 23.4576 24.9483 24.9483 26.6107 26.6107 30.4092 30.4092 31.9209 31.9209 k = 0.5000 0.3010-0.1464 ( 766 PWs) bands (ev): -22.8578 -22.8578 -14.8734 -14.8734 -3.3941 -3.3941 -2.6614 -2.6614 -0.1919 -0.1919 2.2671 2.2671 4.8913 4.8913 9.1221 9.1221 17.9975 17.9975 23.7683 23.7683 23.8784 23.8784 24.6709 24.6709 25.3503 25.3503 31.1776 31.1776 32.1542 32.1542 k = 0.5044 0.2937-0.1464 ( 766 PWs) bands (ev): -22.8578 -22.8578 -14.8732 -14.8732 -3.3941 -3.3941 -2.6607 -2.6607 -0.1938 -0.1938 2.2678 2.2678 4.8897 4.8897 9.1226 9.1226 18.0024 18.0024 23.7626 23.7626 23.8787 23.8787 24.6733 24.6733 25.3536 25.3536 31.1755 31.1755 32.1116 32.1116 k = 0.5088 0.2864-0.1464 ( 766 PWs) bands (ev): -22.8577 -22.8577 -14.8727 -14.8727 -3.3941 -3.3941 -2.6588 -2.6588 -0.1994 -0.1994 2.2696 2.2696 4.8846 4.8846 9.1243 9.1243 18.0171 18.0171 23.7448 23.7448 23.8808 23.8808 24.6803 24.6803 25.3630 25.3630 31.1693 31.1693 31.9992 31.9992 k = 0.5132 0.2791-0.1464 ( 766 PWs) bands (ev): -22.8575 -22.8575 -14.8718 -14.8718 -3.3941 -3.3941 -2.6556 -2.6556 -0.2086 -0.2086 2.2728 2.2728 4.8763 4.8763 9.1270 9.1270 18.0414 18.0414 23.7137 23.7137 23.8862 23.8862 24.6921 24.6921 25.3780 25.3780 31.1587 31.1587 31.8437 31.8437 k = 0.5176 0.2718-0.1464 ( 764 PWs) bands (ev): -22.8572 -22.8572 -14.8705 -14.8705 -3.3940 -3.3940 -2.6511 -2.6511 -0.2215 -0.2215 2.2771 2.2771 4.8646 4.8646 9.1309 9.1309 18.0754 18.0754 23.6696 23.6696 23.8956 23.8956 24.7090 24.7090 25.3976 25.3976 31.1438 31.1438 31.6638 31.6638 k = 0.5220 0.2645-0.1464 ( 764 PWs) bands (ev): -22.8569 -22.8569 -14.8688 -14.8688 -3.3940 -3.3940 -2.6453 -2.6453 -0.2379 -0.2379 2.2827 2.2827 4.8498 4.8498 9.1358 9.1358 18.1190 18.1190 23.6136 23.6136 23.9088 23.9088 24.7311 24.7311 25.4207 25.4207 31.1243 31.1243 31.4700 31.4700 k = 0.5263 0.2572-0.1464 ( 764 PWs) bands (ev): -22.8566 -22.8566 -14.8669 -14.8669 -3.3939 -3.3939 -2.6383 -2.6383 -0.2577 -0.2577 2.2895 2.2895 4.8318 4.8318 9.1417 9.1417 18.1720 18.1720 23.5473 23.5473 23.9251 23.9251 24.7588 24.7588 25.4461 25.4461 31.1000 31.1000 31.2678 31.2678 k = 0.5307 0.2500-0.1464 ( 764 PWs) bands (ev): -22.8561 -22.8561 -14.8645 -14.8645 -3.3939 -3.3939 -2.6300 -2.6300 -0.2808 -0.2808 2.2974 2.2974 4.8108 4.8108 9.1488 9.1488 18.2343 18.2343 23.4722 23.4722 23.9439 23.9439 24.7922 24.7922 25.4727 25.4727 31.0607 31.0607 31.0709 31.0709 k = 0.5351 0.2427-0.1464 ( 764 PWs) bands (ev): -22.8557 -22.8557 -14.8619 -14.8619 -3.3939 -3.3939 -2.6205 -2.6205 -0.3071 -0.3071 2.3064 2.3064 4.7868 4.7868 9.1569 9.1569 18.3057 18.3057 23.3897 23.3897 23.9645 23.9645 24.8318 24.8318 25.4997 25.4997 30.8507 30.8507 31.0369 31.0369 k = 0.5395 0.2354-0.1464 ( 762 PWs) bands (ev): -22.8552 -22.8552 -14.8589 -14.8589 -3.3940 -3.3940 -2.6098 -2.6098 -0.3363 -0.3363 2.3166 2.3166 4.7600 4.7600 9.1661 9.1661 18.3861 18.3861 23.3010 23.3010 23.9866 23.9866 24.8776 24.8776 25.5261 25.5261 30.6390 30.6390 30.9980 30.9980 k = 0.5439 0.2281-0.1464 ( 762 PWs) bands (ev): -22.8546 -22.8546 -14.8556 -14.8556 -3.3940 -3.3940 -2.5979 -2.5979 -0.3683 -0.3683 2.3278 2.3278 4.7306 4.7306 9.1763 9.1763 18.4753 18.4753 23.2072 23.2072 24.0096 24.0096 24.9297 24.9297 25.5515 25.5515 30.4268 30.4268 30.9544 30.9544 k = 0.5483 0.2208-0.1464 ( 766 PWs) bands (ev): -22.8541 -22.8541 -14.8520 -14.8520 -3.3942 -3.3942 -2.5848 -2.5848 -0.4029 -0.4029 2.3400 2.3400 4.6986 4.6986 9.1876 9.1876 18.5730 18.5730 23.1092 23.1092 24.0330 24.0330 24.9883 24.9883 25.5752 25.5752 30.2147 30.2147 30.9061 30.9061 k = 0.5527 0.2135-0.1464 ( 766 PWs) bands (ev): -22.8536 -22.8536 -14.8481 -14.8481 -3.3944 -3.3944 -2.5705 -2.5705 -0.4399 -0.4399 2.3532 2.3532 4.6643 4.6643 9.1999 9.1999 18.6789 18.6789 23.0078 23.0078 24.0565 24.0565 25.0532 25.0532 25.5969 25.5969 30.0032 30.0032 30.8536 30.8536 k = 0.5571 0.2062-0.1464 ( 766 PWs) bands (ev): -22.8530 -22.8530 -14.8440 -14.8440 -3.3947 -3.3947 -2.5551 -2.5551 -0.4791 -0.4791 2.3674 2.3674 4.6278 4.6278 9.2132 9.2132 18.7928 18.7928 22.9038 22.9038 24.0800 24.0800 25.1242 25.1242 25.6164 25.6164 29.7928 29.7928 30.7972 30.7972 k = 0.5615 0.1989-0.1464 ( 768 PWs) bands (ev): -22.8525 -22.8525 -14.8395 -14.8395 -3.3951 -3.3951 -2.5386 -2.5386 -0.5202 -0.5202 2.3825 2.3825 4.5893 4.5893 9.2275 9.2275 18.9144 18.9144 22.7978 22.7978 24.1032 24.1032 25.2009 25.2009 25.6334 25.6334 29.5837 29.5837 30.7372 30.7372 k = 0.5659 0.1916-0.1464 ( 770 PWs) bands (ev): -22.8519 -22.8519 -14.8349 -14.8349 -3.3957 -3.3957 -2.5211 -2.5211 -0.5630 -0.5630 2.3984 2.3984 4.5490 4.5490 9.2427 9.2427 19.0433 19.0433 22.6905 22.6905 24.1260 24.1260 25.2826 25.2826 25.6483 25.6483 29.3763 29.3763 30.6742 30.6742 k = 0.5703 0.1843-0.1464 ( 770 PWs) bands (ev): -22.8514 -22.8514 -14.8300 -14.8300 -3.3964 -3.3964 -2.5025 -2.5025 -0.6072 -0.6072 2.4151 2.4151 4.5071 4.5071 9.2590 9.2590 19.1792 19.1792 22.5823 22.5823 24.1484 24.1484 25.3682 25.3682 25.6614 25.6614 29.1709 29.1709 30.6087 30.6087 k = 0.5747 0.1770-0.1464 ( 764 PWs) bands (ev): -22.8509 -22.8509 -14.8249 -14.8249 -3.3972 -3.3972 -2.4830 -2.4830 -0.6526 -0.6526 2.4325 2.4325 4.4637 4.4637 9.2761 9.2761 19.3217 19.3217 22.4740 22.4740 24.1703 24.1703 25.4553 25.4553 25.6746 25.6746 28.9677 28.9677 30.5411 30.5411 k = 0.5790 0.1697-0.1464 ( 766 PWs) bands (ev): -22.8506 -22.8506 -14.8196 -14.8196 -3.3983 -3.3983 -2.4625 -2.4625 -0.6990 -0.6990 2.4507 2.4507 4.4192 4.4192 9.2942 9.2942 19.4703 19.4703 22.3659 22.3659 24.1917 24.1917 25.5376 25.5376 25.6934 25.6934 28.7670 28.7670 30.4720 30.4720 k = 0.5834 0.1624-0.1464 ( 768 PWs) bands (ev): -22.8502 -22.8502 -14.8142 -14.8142 -3.3996 -3.3996 -2.4412 -2.4412 -0.7460 -0.7460 2.4695 2.4695 4.3737 4.3737 9.3132 9.3132 19.6244 19.6244 22.2586 22.2586 24.2127 24.2127 25.5973 25.5973 25.7350 25.7350 28.5690 28.5690 30.4018 30.4018 k = 0.5878 0.1551-0.1464 ( 764 PWs) bands (ev): -22.8499 -22.8499 -14.8086 -14.8086 -3.4011 -3.4011 -2.4192 -2.4192 -0.7933 -0.7933 2.4889 2.4889 4.3275 4.3275 9.3331 9.3331 19.7836 19.7836 22.1528 22.1528 24.2333 24.2333 25.6216 25.6216 25.8113 25.8113 28.3741 28.3741 30.3310 30.3310 k = 0.5922 0.1478-0.1464 ( 762 PWs) bands (ev): -22.8498 -22.8498 -14.8029 -14.8029 -3.4030 -3.4030 -2.3964 -2.3964 -0.8407 -0.8407 2.5089 2.5089 4.2807 4.2807 9.3539 9.3539 19.9468 19.9468 22.0492 22.0492 24.2535 24.2535 25.6255 25.6255 25.9065 25.9065 28.1827 28.1827 30.2599 30.2599 k = 0.5966 0.1405-0.1464 ( 760 PWs) bands (ev): -22.8497 -22.8497 -14.7971 -14.7971 -3.4051 -3.4051 -2.3730 -2.3730 -0.8880 -0.8880 2.5292 2.5292 4.2337 4.2337 9.3755 9.3755 20.1132 20.1132 21.9486 21.9486 24.2734 24.2734 25.6203 25.6203 26.0082 26.0082 27.9954 27.9954 30.1890 30.1890 k = 0.6010 0.1332-0.1464 ( 760 PWs) bands (ev): -22.8498 -22.8498 -14.7912 -14.7912 -3.4076 -3.4076 -2.3491 -2.3491 -0.9346 -0.9346 2.5500 2.5500 4.1866 4.1866 9.3979 9.3979 20.2811 20.2811 21.8524 21.8524 24.2929 24.2929 25.6097 25.6097 26.1114 26.1114 27.8131 27.8131 30.1185 30.1185 k = 0.6054 0.1260-0.1464 ( 760 PWs) bands (ev): -22.8501 -22.8501 -14.7853 -14.7853 -3.4104 -3.4104 -2.3249 -2.3249 -0.9805 -0.9805 2.5710 2.5710 4.1397 4.1397 9.4211 9.4211 20.4482 20.4482 21.7628 21.7628 24.3121 24.3121 25.5949 25.5949 26.2129 26.2129 27.6373 27.6373 30.0487 30.0487 k = 0.6098 0.1187-0.1464 ( 758 PWs) bands (ev): -22.8505 -22.8505 -14.7794 -14.7794 -3.4137 -3.4137 -2.3005 -2.3005 -1.0252 -1.0252 2.5923 2.5923 4.0933 4.0933 9.4450 9.4450 20.6102 20.6102 21.6836 21.6836 24.3309 24.3309 25.5767 25.5767 26.3089 26.3089 27.4707 27.4707 29.9798 29.9798 k = 0.6142 0.1114-0.1464 ( 758 PWs) bands (ev): -22.8511 -22.8511 -14.7734 -14.7734 -3.4174 -3.4174 -2.2760 -2.2760 -1.0683 -1.0683 2.6136 2.6136 4.0476 4.0476 9.4698 9.4698 20.7593 20.7593 21.6225 21.6225 24.3493 24.3493 25.5555 25.5555 26.3932 26.3932 27.3186 27.3186 29.9119 29.9119 k = 0.6186 0.1041-0.1464 ( 758 PWs) bands (ev): -22.8519 -22.8519 -14.7676 -14.7676 -3.4216 -3.4216 -2.2516 -2.2516 -1.1095 -1.1095 2.6349 2.6349 4.0028 4.0028 9.4952 9.4952 20.8803 20.8803 21.5941 21.5941 24.3674 24.3674 25.5317 25.5317 26.4543 26.4543 27.1919 27.1919 29.8452 29.8452 k = 0.6230 0.0968-0.1464 ( 756 PWs) bands (ev): -22.8529 -22.8529 -14.7617 -14.7617 -3.4262 -3.4262 -2.2277 -2.2277 -1.1484 -1.1484 2.6561 2.6561 3.9594 3.9594 9.5213 9.5213 20.9516 20.9516 21.6196 21.6196 24.3850 24.3850 25.5058 25.5058 26.4722 26.4722 27.1100 27.1100 29.7797 29.7797 k = 0.6273 0.0895-0.1464 ( 756 PWs) bands (ev): -22.8541 -22.8541 -14.7560 -14.7560 -3.4315 -3.4315 -2.2044 -2.2044 -1.1845 -1.1845 2.6769 2.6769 3.9175 3.9175 9.5480 9.5480 20.9638 20.9638 21.7078 21.7078 24.4020 24.4020 25.4782 25.4782 26.4296 26.4296 27.0897 27.0897 29.7153 29.7153 k = 0.6317 0.0822-0.1464 ( 758 PWs) bands (ev): -22.8556 -22.8556 -14.7504 -14.7504 -3.4372 -3.4372 -2.1821 -2.1821 -1.2174 -1.2174 2.6972 2.6972 3.8775 3.8775 9.5754 9.5754 20.9325 20.9325 21.8424 21.8424 24.4185 24.4185 25.4496 25.4496 26.3344 26.3344 27.1224 27.1224 29.6521 29.6521 k = 0.6361 0.0749-0.1464 ( 758 PWs) bands (ev): -22.8573 -22.8573 -14.7449 -14.7449 -3.4436 -3.4436 -2.1611 -2.1611 -1.2466 -1.2466 2.7169 2.7169 3.8397 3.8397 9.6033 9.6033 20.8782 20.8782 22.0020 22.0020 24.4342 24.4342 25.4205 25.4205 26.2097 26.2097 27.1848 27.1848 29.5901 29.5901 k = 0.6405 0.0676-0.1464 ( 756 PWs) bands (ev): -22.8593 -22.8593 -14.7395 -14.7395 -3.4506 -3.4506 -2.1418 -2.1418 -1.2716 -1.2716 2.7357 2.7357 3.8044 3.8044 9.6319 9.6319 20.8132 20.8132 22.1732 22.1732 24.4491 24.4491 25.3917 25.3917 26.0716 26.0716 27.2603 27.2603 29.5290 29.5290 k = 0.6449 0.0603-0.1464 ( 756 PWs) bands (ev): -22.8617 -22.8617 -14.7344 -14.7344 -3.4583 -3.4583 -2.1244 -2.1244 -1.2920 -1.2920 2.7534 2.7534 3.7719 3.7719 9.6609 9.6609 20.7437 20.7437 22.3487 22.3487 24.4627 24.4627 25.3641 25.3641 25.9287 25.9287 27.3402 27.3402 29.4688 29.4688 k = 0.6493 0.0530-0.1464 ( 758 PWs) bands (ev): -22.8643 -22.8643 -14.7295 -14.7295 -3.4667 -3.4667 -2.1094 -2.1094 -1.3072 -1.3072 2.7698 2.7698 3.7427 3.7427 9.6904 9.6904 20.6730 20.6730 22.5239 22.5239 24.4750 24.4750 25.3387 25.3387 25.7853 25.7853 27.4203 27.4203 29.4094 29.4094 k = 0.6537 0.0457-0.1464 ( 760 PWs) bands (ev): -22.8672 -22.8672 -14.7249 -14.7249 -3.4757 -3.4757 -2.0969 -2.0969 -1.3170 -1.3170 2.7847 2.7847 3.7169 3.7169 9.7204 9.7204 20.6027 20.6027 22.6952 22.6952 24.4853 24.4853 25.3167 25.3167 25.6441 25.6441 27.4983 27.4983 29.3508 29.3508 k = 0.3463-0.5752 0.0000 ( 760 PWs) bands (ev): -22.8672 -22.8672 -14.7249 -14.7249 -3.4757 -3.4757 -2.0969 -2.0969 -1.3170 -1.3170 2.7847 2.7847 3.7169 3.7169 9.7204 9.7204 20.6027 20.6027 22.6952 22.6952 24.4853 24.4853 25.3167 25.3167 25.6441 25.6441 27.4983 27.4983 29.3508 29.3508 k = 0.3418-0.5678 0.0000 ( 760 PWs) bands (ev): -22.8706 -22.8706 -14.7204 -14.7204 -3.4857 -3.4857 -2.0870 -2.0870 -1.3211 -1.3211 2.7980 2.7980 3.6945 3.6945 9.7515 9.7515 20.5322 20.5322 22.8636 22.8636 24.4931 24.4931 25.2981 25.2981 25.5048 25.5048 27.5745 27.5745 29.2913 29.2913 k = 0.3373-0.5603 0.0000 ( 759 PWs) bands (ev): -22.8743 -22.8743 -14.7162 -14.7162 -3.4965 -3.4965 -2.0798 -2.0798 -1.3192 -1.3192 2.8094 2.8094 3.6764 3.6764 9.7831 9.7831 20.4640 20.4640 23.0217 23.0217 24.4970 24.4970 25.2781 25.2781 25.3800 25.3800 27.6462 27.6462 29.2324 29.2324 k = 0.3328-0.5528 0.0000 ( 759 PWs) bands (ev): -22.8784 -22.8784 -14.7124 -14.7124 -3.5080 -3.5080 -2.0753 -2.0753 -1.3113 -1.3113 2.8186 2.8186 3.6629 3.6629 9.8150 9.8150 20.3984 20.3984 23.1661 23.1661 24.4951 24.4951 25.2106 25.2106 25.3207 25.3207 27.7128 27.7128 29.1739 29.1739 k = 0.3283-0.5454 0.0000 ( 759 PWs) bands (ev): -22.8829 -22.8829 -14.7089 -14.7089 -3.5203 -3.5203 -2.0731 -2.0731 -1.2978 -1.2978 2.8255 2.8255 3.6540 3.6540 9.8472 9.8472 20.3358 20.3358 23.2939 23.2939 24.4845 24.4845 25.1022 25.1022 25.3252 25.3252 27.7741 27.7741 29.1161 29.1161 k = 0.3238-0.5379 0.0000 ( 757 PWs) bands (ev): -22.8878 -22.8878 -14.7058 -14.7058 -3.5333 -3.5333 -2.0727 -2.0727 -1.2790 -1.2790 2.8303 2.8303 3.6498 3.6498 9.8798 9.8798 20.2764 20.2764 23.4021 23.4021 24.4611 24.4611 25.0012 25.0012 25.3517 25.3517 27.8299 27.8299 29.0588 29.0588 k = 0.3193-0.5304 0.0000 ( 755 PWs) bands (ev): -22.8931 -22.8931 -14.7031 -14.7031 -3.5470 -3.5470 -2.0736 -2.0736 -1.2554 -1.2554 2.8331 2.8331 3.6502 3.6502 9.9125 9.9125 20.2204 20.2204 23.4890 23.4890 24.4198 24.4198 24.9184 24.9184 25.3951 25.3951 27.8805 27.8805 29.0023 29.0023 k = 0.3148-0.5229 0.0000 ( 753 PWs) bands (ev): -22.8988 -22.8988 -14.7009 -14.7009 -3.5615 -3.5615 -2.0752 -2.0752 -1.2277 -1.2277 2.8341 2.8341 3.6550 3.6550 9.9455 9.9455 20.1679 20.1679 23.5537 23.5537 24.3580 24.3580 24.8579 24.8579 25.4540 25.4540 27.9258 27.9258 28.9466 28.9466 k = 0.3103-0.5155 0.0000 ( 753 PWs) bands (ev): -22.9049 -22.9049 -14.6991 -14.6991 -3.5766 -3.5766 -2.0770 -2.0770 -1.1962 -1.1962 2.8337 2.8337 3.6640 3.6640 9.9786 9.9786 20.1191 20.1191 23.5971 23.5971 24.2774 24.2774 24.8181 24.8181 25.5263 25.5263 27.9661 27.9661 28.8921 28.8921 k = 0.3058-0.5080 0.0000 ( 751 PWs) bands (ev): -22.9115 -22.9115 -14.6978 -14.6978 -3.5924 -3.5924 -2.0785 -2.0785 -1.1615 -1.1615 2.8322 2.8322 3.6767 3.6767 10.0119 10.0119 20.0739 20.0739 23.6210 23.6210 24.1839 24.1839 24.7936 24.7936 25.6088 25.6088 28.0017 28.0017 28.8389 28.8389 k = 0.3013-0.5005 0.0000 ( 751 PWs) bands (ev): -22.9185 -22.9185 -14.6970 -14.6970 -3.6087 -3.6087 -2.0793 -2.0793 -1.1240 -1.1240 2.8300 2.8300 3.6929 3.6929 10.0452 10.0452 20.0326 20.0326 23.6279 23.6279 24.0830 24.0830 24.7789 24.7789 25.6976 25.6976 28.0331 28.0331 28.7875 28.7875 k = 0.2968-0.4931 0.0000 ( 751 PWs) bands (ev): -22.9260 -22.9260 -14.6967 -14.6967 -3.6257 -3.6257 -2.0791 -2.0791 -1.0840 -1.0840 2.8276 2.8276 3.7120 3.7120 10.0786 10.0786 19.9951 19.9951 23.6205 23.6205 23.9789 23.9789 24.7700 24.7700 25.7888 25.7888 28.0605 28.0605 28.7382 28.7382 k = 0.2923-0.4856 0.0000 ( 751 PWs) bands (ev): -22.9339 -22.9339 -14.6969 -14.6969 -3.6431 -3.6431 -2.0776 -2.0776 -1.0419 -1.0419 2.8253 2.8253 3.7339 3.7339 10.1120 10.1120 19.9614 19.9614 23.6015 23.6015 23.8743 23.8743 24.7643 24.7643 25.8785 25.8785 28.0845 28.0845 28.6914 28.6914 k = 0.2878-0.4781 0.0000 ( 749 PWs) bands (ev): -22.9423 -22.9423 -14.6977 -14.6977 -3.6610 -3.6610 -2.0744 -2.0744 -0.9979 -0.9979 2.8235 2.8235 3.7581 3.7581 10.1453 10.1453 19.9317 19.9317 23.5728 23.5728 23.7713 23.7713 24.7601 24.7601 25.9635 25.9635 28.1055 28.1055 28.6473 28.6473 k = 0.2833-0.4707 0.0000 ( 751 PWs) bands (ev): -22.9511 -22.9511 -14.6990 -14.6990 -3.6792 -3.6792 -2.0695 -2.0695 -0.9523 -0.9523 2.8225 2.8225 3.7842 3.7842 10.1785 10.1785 19.9058 19.9058 23.5354 23.5354 23.6716 23.6716 24.7566 24.7566 26.0411 26.0411 28.1239 28.1239 28.6063 28.6063 k = 0.2788-0.4632 0.0000 ( 753 PWs) bands (ev): -22.9604 -22.9604 -14.7009 -14.7009 -3.6979 -3.6979 -2.0627 -2.0627 -0.9053 -0.9053 2.8226 2.8226 3.8121 3.8121 10.2117 10.2117 19.8839 19.8839 23.4885 23.4885 23.5783 23.5783 24.7528 24.7528 26.1091 26.1091 28.1402 28.1402 28.5685 28.5685 k = 0.2743-0.4557 0.0000 ( 753 PWs) bands (ev): -22.9701 -22.9701 -14.7035 -14.7035 -3.7168 -3.7168 -2.0538 -2.0538 -0.8570 -0.8570 2.8240 2.8240 3.8414 3.8414 10.2446 10.2446 19.8660 19.8660 23.4270 23.4270 23.4982 23.4982 24.7484 24.7484 26.1661 26.1661 28.1548 28.1548 28.5339 28.5339 k = 0.2699-0.4482 0.0000 ( 755 PWs) bands (ev): -22.9803 -22.9803 -14.7065 -14.7065 -3.7360 -3.7360 -2.0428 -2.0428 -0.8076 -0.8076 2.8270 2.8270 3.8719 3.8719 10.2774 10.2774 19.8519 19.8519 23.3491 23.3491 23.4343 23.4343 24.7431 24.7431 26.2111 26.2111 28.1681 28.1681 28.5024 28.5024 k = 0.2654-0.4408 0.0000 ( 753 PWs) bands (ev): -22.9909 -22.9909 -14.7102 -14.7102 -3.7554 -3.7554 -2.0296 -2.0296 -0.7572 -0.7572 2.8316 2.8316 3.9035 3.9035 10.3099 10.3099 19.8417 19.8417 23.2645 23.2645 23.3779 23.3779 24.7365 24.7365 26.2439 26.2439 28.1806 28.1806 28.4737 28.4737 k = 0.2609-0.4333 0.0000 ( 753 PWs) bands (ev): -23.0019 -23.0019 -14.7144 -14.7144 -3.7750 -3.7750 -2.0141 -2.0141 -0.7060 -0.7060 2.8381 2.8381 3.9359 3.9359 10.3422 10.3422 19.8355 19.8355 23.1799 23.1799 23.3231 23.3231 24.7284 24.7284 26.2645 26.2645 28.1926 28.1926 28.4474 28.4474 k = 0.2564-0.4258 0.0000 ( 755 PWs) bands (ev): -23.0134 -23.0134 -14.7192 -14.7192 -3.7948 -3.7948 -1.9962 -1.9962 -0.6540 -0.6540 2.8465 2.8465 3.9689 3.9689 10.3741 10.3741 19.8331 19.8331 23.0975 23.0975 23.2680 23.2680 24.7186 24.7186 26.2734 26.2734 28.2045 28.2045 28.4229 28.4229 k = 0.2519-0.4184 0.0000 ( 755 PWs) bands (ev): -23.0252 -23.0252 -14.7245 -14.7245 -3.8146 -3.8146 -1.9760 -1.9760 -0.6012 -0.6012 2.8570 2.8570 4.0026 4.0026 10.4057 10.4057 19.8345 19.8345 23.0183 23.0183 23.2122 23.2122 24.7071 24.7071 26.2717 26.2717 28.2163 28.2163 28.3998 28.3998 k = 0.2474-0.4109 0.0000 ( 751 PWs) bands (ev): -23.0374 -23.0374 -14.7304 -14.7304 -3.8345 -3.8345 -1.9534 -1.9534 -0.5479 -0.5479 2.8695 2.8695 4.0366 4.0366 10.4369 10.4369 19.8397 19.8397 22.9427 22.9427 23.1556 23.1556 24.6937 24.6937 26.2603 26.2603 28.2280 28.2280 28.3777 28.3777 k = 0.2429-0.4034 0.0000 ( 755 PWs) bands (ev): -23.0501 -23.0501 -14.7370 -14.7370 -3.8545 -3.8545 -1.9284 -1.9284 -0.4941 -0.4941 2.8842 2.8842 4.0710 4.0710 10.4677 10.4677 19.8486 19.8486 22.8707 22.8707 23.0983 23.0983 24.6784 24.6784 26.2405 26.2405 28.2390 28.2390 28.3570 28.3570 k = 0.2384-0.3959 0.0000 ( 755 PWs) bands (ev): -23.0631 -23.0631 -14.7440 -14.7440 -3.8745 -3.8745 -1.9010 -1.9010 -0.4397 -0.4397 2.9010 2.9010 4.1056 4.1056 10.4981 10.4981 19.8611 19.8611 22.8027 22.8027 23.0403 23.0403 24.6610 24.6610 26.2135 26.2135 28.2474 28.2474 28.3392 28.3392 k = 0.2339-0.3885 0.0000 ( 757 PWs) bands (ev): -23.0765 -23.0765 -14.7516 -14.7516 -3.8945 -3.8945 -1.8712 -1.8712 -0.3850 -0.3850 2.9200 2.9200 4.1404 4.1404 10.5280 10.5280 19.8773 19.8773 22.7386 22.7386 22.9815 22.9815 24.6415 24.6415 26.1806 26.1806 28.2483 28.2483 28.3293 28.3293 k = 0.2294-0.3810 0.0000 ( 757 PWs) bands (ev): -23.0903 -23.0903 -14.7597 -14.7597 -3.9145 -3.9145 -1.8390 -1.8390 -0.3300 -0.3300 2.9412 2.9412 4.1752 4.1752 10.5573 10.5573 19.8970 19.8970 22.6785 22.6785 22.9218 22.9218 24.6200 24.6200 26.1429 26.1429 28.2364 28.2364 28.3322 28.3322 k = 0.2249-0.3735 0.0000 ( 757 PWs) bands (ev): -23.1043 -23.1043 -14.7684 -14.7684 -3.9345 -3.9345 -1.8044 -1.8044 -0.2747 -0.2747 2.9644 2.9644 4.2100 4.2100 10.5862 10.5862 19.9201 19.9201 22.6224 22.6224 22.8612 22.8612 24.5963 24.5963 26.1015 26.1015 28.2139 28.2139 28.3457 28.3457 k = 0.2204-0.3661 0.0000 ( 757 PWs) bands (ev): -23.1186 -23.1186 -14.7775 -14.7775 -3.9544 -3.9544 -1.7675 -1.7675 -0.2191 -0.2191 2.9898 2.9898 4.2448 4.2448 10.6145 10.6145 19.9465 19.9465 22.5704 22.5704 22.7996 22.7996 24.5706 24.5706 26.0576 26.0576 28.1853 28.1853 28.3654 28.3654 k = 0.2159-0.3586 0.0000 ( 757 PWs) bands (ev): -23.1333 -23.1333 -14.7871 -14.7871 -3.9743 -3.9743 -1.7282 -1.7282 -0.1634 -0.1634 3.0173 3.0173 4.2794 4.2794 10.6422 10.6422 19.9762 19.9762 22.5225 22.5225 22.7369 22.7369 24.5428 24.5428 26.0118 26.0118 28.1527 28.1527 28.3892 28.3892 k = 0.2114-0.3511 0.0000 ( 755 PWs) bands (ev): -23.1481 -23.1481 -14.7971 -14.7971 -3.9941 -3.9941 -1.6866 -1.6866 -0.1075 -0.1075 3.0468 3.0468 4.3139 4.3139 10.6693 10.6693 20.0090 20.0090 22.4787 22.4787 22.6729 22.6729 24.5131 24.5131 25.9652 25.9652 28.1171 28.1171 28.4161 28.4161 k = 0.2069-0.3436 0.0000 ( 755 PWs) bands (ev): -23.1633 -23.1633 -14.8076 -14.8076 -4.0139 -4.0139 -1.6427 -1.6427 -0.0517 -0.0517 3.0782 3.0782 4.3482 4.3482 10.6958 10.6958 20.0448 20.0448 22.4388 22.4388 22.6076 22.6076 24.4813 24.4813 25.9184 25.9184 28.0791 28.0791 28.4459 28.4459 k = 0.2024-0.3362 0.0000 ( 755 PWs) bands (ev): -23.1786 -23.1786 -14.8185 -14.8185 -4.0336 -4.0336 -1.5966 -1.5966 0.0042 0.0042 3.1116 3.1116 4.3823 4.3823 10.7216 10.7216 20.0833 20.0833 22.4028 22.4028 22.5409 22.5409 24.4477 24.4477 25.8722 25.8722 28.0388 28.0388 28.4783 28.4783 k = 0.1979-0.3287 0.0000 ( 757 PWs) bands (ev): -23.1942 -23.1942 -14.8299 -14.8299 -4.0532 -4.0532 -1.5483 -1.5483 0.0601 0.0601 3.1467 3.1467 4.4160 4.4160 10.7468 10.7468 20.1245 20.1245 22.3701 22.3701 22.4733 22.4733 24.4122 24.4122 25.8271 25.8271 27.9964 27.9964 28.5131 28.5131 k = 0.1934-0.3212 0.0000 ( 757 PWs) bands (ev): -23.2099 -23.2099 -14.8415 -14.8415 -4.0727 -4.0727 -1.4979 -1.4979 0.1159 0.1159 3.1836 3.1836 4.4495 4.4495 10.7713 10.7713 20.1682 20.1682 22.3387 22.3387 22.4066 22.4066 24.3751 24.3751 25.7836 25.7836 27.9522 27.9522 28.5502 28.5502 k = 0.1889-0.3138 0.0000 ( 757 PWs) bands (ev): -23.2257 -23.2257 -14.8535 -14.8535 -4.0921 -4.0921 -1.4455 -1.4455 0.1715 0.1715 3.2221 3.2221 4.4827 4.4827 10.7951 10.7951 20.2140 20.2140 22.2994 22.2994 22.3498 22.3498 24.3363 24.3363 25.7421 25.7421 27.9062 27.9062 28.5896 28.5896 k = 0.1844-0.3063 0.0000 ( 757 PWs) bands (ev): -23.2417 -23.2417 -14.8659 -14.8659 -4.1113 -4.1113 -1.3910 -1.3910 0.2269 0.2269 3.2621 3.2621 4.5155 4.5155 10.8183 10.8183 20.2616 20.2616 22.2377 22.2377 22.3176 22.3176 24.2960 24.2960 25.7032 25.7032 27.8584 27.8584 28.6308 28.6308 k = 0.1799-0.2988 0.0000 ( 759 PWs) bands (ev): -23.2578 -23.2578 -14.8784 -14.8784 -4.1305 -4.1305 -1.3347 -1.3347 0.2821 0.2821 3.3036 3.3036 4.5480 4.5480 10.8407 10.8407 20.3108 20.3108 22.1642 22.1642 22.2993 22.2993 24.2543 24.2543 25.6671 25.6671 27.8090 27.8090 28.6739 28.6739 k = 0.1754-0.2914 0.0000 ( 757 PWs) bands (ev): -23.2739 -23.2739 -14.8912 -14.8912 -4.1495 -4.1495 -1.2766 -1.2766 0.3369 0.3369 3.3464 3.3464 4.5802 4.5802 10.8624 10.8624 20.3610 20.3610 22.0865 22.0865 22.2874 22.2874 24.2113 24.2113 25.6340 25.6340 27.7579 27.7579 28.7183 28.7183 k = 0.1709-0.2839 0.0000 ( 755 PWs) bands (ev): -23.2900 -23.2900 -14.9043 -14.9043 -4.1683 -4.1683 -1.2168 -1.2168 0.3914 0.3914 3.3904 3.3904 4.6120 4.6120 10.8834 10.8834 20.4117 20.4117 22.0065 22.0065 22.2803 22.2803 24.1670 24.1670 25.6041 25.6041 27.7050 27.7050 28.7639 28.7639 k = 0.1664-0.2764 0.0000 ( 753 PWs) bands (ev): -23.3061 -23.3061 -14.9175 -14.9175 -4.1870 -4.1870 -1.1554 -1.1554 0.4456 0.4456 3.4354 3.4354 4.6435 4.6435 10.9036 10.9036 20.4620 20.4620 21.9252 21.9252 22.2775 22.2775 24.1218 24.1218 25.5775 25.5775 27.6502 27.6502 28.8101 28.8101 k = 0.1619-0.2689 0.0000 ( 753 PWs) bands (ev): -23.3223 -23.3223 -14.9308 -14.9308 -4.2055 -4.2055 -1.0925 -1.0925 0.4992 0.4992 3.4813 3.4813 4.6747 4.6747 10.9232 10.9232 20.5108 20.5108 21.8438 21.8438 22.2788 22.2788 24.0756 24.0756 25.5544 25.5544 27.5933 27.5933 28.8563 28.8563 k = 0.1574-0.2615 0.0000 ( 753 PWs) bands (ev): -23.3384 -23.3384 -14.9443 -14.9443 -4.2237 -4.2237 -1.0283 -1.0283 0.5524 0.5524 3.5280 3.5280 4.7055 4.7055 10.9420 10.9420 20.5565 20.5565 21.7638 21.7638 22.2841 22.2841 24.0285 24.0285 25.5345 25.5345 27.5342 27.5342 28.9020 28.9020 k = 0.1529-0.2540 0.0000 ( 755 PWs) bands (ev): -23.3544 -23.3544 -14.9580 -14.9580 -4.2418 -4.2418 -0.9629 -0.9629 0.6050 0.6050 3.5753 3.5753 4.7361 4.7361 10.9601 10.9601 20.5970 20.5970 21.6874 21.6874 22.2931 22.2931 23.9808 23.9808 25.5180 25.5180 27.4725 27.4725 28.9458 28.9458 k = 0.1484-0.2465 0.0000 ( 757 PWs) bands (ev): -23.3704 -23.3704 -14.9716 -14.9716 -4.2596 -4.2596 -0.8964 -0.8964 0.6570 0.6570 3.6230 3.6230 4.7665 4.7665 10.9774 10.9774 20.6290 20.6290 21.6176 21.6176 22.3058 22.3058 23.9326 23.9326 25.5045 25.5045 27.4080 27.4080 28.9844 28.9844 k = 0.1439-0.2391 0.0000 ( 757 PWs) bands (ev): -23.3861 -23.3861 -14.9852 -14.9852 -4.2772 -4.2772 -0.8289 -0.8289 0.7084 0.7084 3.6709 3.6709 4.7967 4.7967 10.9940 10.9940 20.6485 20.6485 21.5587 21.5587 22.3220 22.3220 23.8839 23.8839 25.4939 25.4939 27.3406 27.3406 28.9611 28.9611 k = 0.1394-0.2316 0.0000 ( 759 PWs) bands (ev): -23.4018 -23.4018 -14.9989 -14.9989 -4.2945 -4.2945 -0.7607 -0.7607 0.7591 0.7591 3.7189 3.7189 4.8267 4.8267 11.0100 11.0100 20.6507 20.6507 21.5154 21.5154 22.3417 22.3417 23.8349 23.8349 25.4860 25.4860 27.2701 27.2701 28.8457 28.8457 k = 0.1349-0.2241 0.0000 ( 761 PWs) bands (ev): -23.4173 -23.4173 -15.0125 -15.0125 -4.3115 -4.3115 -0.6919 -0.6919 0.8091 0.8091 3.7668 3.7668 4.8566 4.8566 11.0252 11.0252 20.6315 20.6315 21.4919 21.4919 22.3646 22.3646 23.7859 23.7859 25.4803 25.4803 27.1967 27.1967 28.7379 28.7379 k = 0.1304-0.2166 0.0000 ( 759 PWs) bands (ev): -23.4325 -23.4325 -15.0260 -15.0260 -4.3282 -4.3282 -0.6227 -0.6227 0.8584 0.8584 3.8144 3.8144 4.8865 4.8865 11.0397 11.0397 20.5896 20.5896 21.4898 21.4898 22.3905 22.3905 23.7368 23.7368 25.4765 25.4765 27.1207 27.1207 28.6437 28.6437 k = 0.1259-0.2092 0.0000 ( 759 PWs) bands (ev): -23.4475 -23.4475 -15.0393 -15.0393 -4.3445 -4.3445 -0.5532 -0.5532 0.9068 0.9068 3.8614 3.8614 4.9163 4.9163 11.0535 11.0535 20.5268 20.5268 21.5072 21.5072 22.4192 22.4192 23.6881 23.6881 25.4742 25.4742 27.0425 27.0425 28.5635 28.5635 k = 0.1214-0.2017 0.0000 ( 759 PWs) bands (ev): -23.4623 -23.4623 -15.0526 -15.0526 -4.3605 -4.3605 -0.4837 -0.4837 0.9545 0.9545 3.9078 3.9078 4.9462 4.9462 11.0667 11.0667 20.4471 20.4471 21.5406 21.5406 22.4505 22.4505 23.6397 23.6397 25.4729 25.4729 26.9629 26.9629 28.4970 28.4970 k = 0.1169-0.1942 0.0000 ( 761 PWs) bands (ev): -23.4767 -23.4767 -15.0657 -15.0657 -4.3762 -4.3762 -0.4144 -0.4144 1.0013 1.0013 3.9531 3.9531 4.9762 4.9762 11.0791 11.0791 20.3547 20.3547 21.5858 21.5858 22.4840 22.4840 23.5921 23.5921 25.4723 25.4723 26.8828 26.8828 28.4438 28.4438 k = 0.1124-0.1868 0.0000 ( 763 PWs) bands (ev): -23.4909 -23.4909 -15.0785 -15.0785 -4.3914 -4.3914 -0.3454 -0.3454 1.0472 1.0472 3.9974 3.9974 5.0063 5.0063 11.0910 11.0910 20.2534 20.2534 21.6393 21.6393 22.5195 22.5195 23.5454 23.5454 25.4717 25.4717 26.8031 26.8031 28.4031 28.4031 k = 0.1079-0.1793 0.0000 ( 767 PWs) bands (ev): -23.5047 -23.5047 -15.0912 -15.0912 -4.4063 -4.4063 -0.2770 -0.2770 1.0922 1.0922 4.0402 4.0402 5.0366 5.0366 11.1022 11.1022 20.1459 20.1459 21.6987 21.6987 22.5564 22.5564 23.5001 23.5001 25.4708 25.4708 26.7248 26.7248 28.3741 28.3741 k = 0.1034-0.1718 0.0000 ( 767 PWs) bands (ev): -23.5181 -23.5181 -15.1035 -15.1035 -4.4207 -4.4207 -0.2094 -0.2094 1.1363 1.1363 4.0816 4.0816 5.0670 5.0670 11.1127 11.1127 20.0344 20.0344 21.7619 21.7619 22.5942 22.5942 23.4566 23.4566 25.4690 25.4690 26.6487 26.6487 28.3561 28.3561 k = 0.0989-0.1644 0.0000 ( 765 PWs) bands (ev): -23.5311 -23.5311 -15.1155 -15.1155 -4.4347 -4.4347 -0.1428 -0.1428 1.1794 1.1794 4.1213 4.1213 5.0977 5.0977 11.1227 11.1227 19.9205 19.9205 21.8277 21.8277 22.6322 22.6322 23.4154 23.4154 25.4660 25.4660 26.5757 26.5757 28.3481 28.3481 k = 0.0944-0.1569 0.0000 ( 767 PWs) bands (ev): -23.5438 -23.5438 -15.1272 -15.1272 -4.4482 -4.4482 -0.0775 -0.0775 1.2215 1.2215 4.1591 4.1591 5.1286 5.1286 11.1320 11.1320 19.8055 19.8055 21.8950 21.8950 22.6696 22.6696 23.3775 23.3775 25.4614 25.4614 26.5065 26.5065 28.3495 28.3495 k = 0.0900-0.1494 0.0000 ( 765 PWs) bands (ev): -23.5560 -23.5560 -15.1385 -15.1385 -4.4612 -4.4612 -0.0137 -0.0137 1.2626 1.2626 4.1949 4.1949 5.1596 5.1596 11.1408 11.1408 19.6904 19.6904 21.9629 21.9629 22.7050 22.7050 23.3437 23.3437 25.4547 25.4547 26.4416 26.4416 28.3593 28.3593 k = 0.0855-0.1419 0.0000 ( 765 PWs) bands (ev): -23.5677 -23.5677 -15.1495 -15.1495 -4.4736 -4.4736 0.0484 0.0484 1.3026 1.3026 4.2287 4.2287 5.1907 5.1907 11.1490 11.1490 19.5762 19.5762 22.0309 22.0309 22.7371 22.7371 23.3155 23.3155 25.4459 25.4459 26.3816 26.3816 28.3764 28.3764 k = 0.0810-0.1345 0.0000 ( 765 PWs) bands (ev): -23.5790 -23.5790 -15.1601 -15.1601 -4.4856 -4.4856 0.1087 0.1087 1.3415 1.3415 4.2603 4.2603 5.2217 5.2217 11.1566 11.1566 19.4637 19.4637 22.0983 22.0983 22.7640 22.7640 23.2945 23.2945 25.4348 25.4348 26.3267 26.3267 28.3976 28.3976 k = 0.0765-0.1270 0.0000 ( 765 PWs) bands (ev): -23.5897 -23.5897 -15.1702 -15.1702 -4.4970 -4.4970 0.1667 0.1667 1.3793 1.3793 4.2897 4.2897 5.2527 5.2527 11.1637 11.1637 19.3535 19.3535 22.1647 22.1647 22.7838 22.7838 23.2825 23.2825 25.4214 25.4214 26.2770 26.2770 28.3801 28.3801 k = 0.0720-0.1195 0.0000 ( 767 PWs) bands (ev): -23.6000 -23.6000 -15.1800 -15.1800 -4.5079 -4.5079 0.2225 0.2225 1.4158 1.4158 4.3168 4.3168 5.2834 5.2834 11.1703 11.1703 19.2463 19.2463 22.2296 22.2296 22.7950 22.7950 23.2807 23.2807 25.4058 25.4058 26.2325 26.2325 28.2851 28.2851 k = 0.0675-0.1121 0.0000 ( 771 PWs) bands (ev): -23.6097 -23.6097 -15.1893 -15.1893 -4.5182 -4.5182 0.2757 0.2757 1.4509 1.4509 4.3418 4.3418 5.3136 5.3136 11.1764 11.1764 19.1426 19.1426 22.2926 22.2926 22.7971 22.7971 23.2895 23.2895 25.3882 25.3882 26.1931 26.1931 28.1842 28.1842 k = 0.0630-0.1046 0.0000 ( 773 PWs) bands (ev): -23.6189 -23.6189 -15.1980 -15.1980 -4.5279 -4.5279 0.3261 0.3261 1.4847 1.4847 4.3646 4.3646 5.3432 5.3432 11.1821 11.1821 19.0431 19.0431 22.3534 22.3534 22.7908 22.7908 23.3078 23.3078 25.3691 25.3691 26.1585 26.1585 28.0853 28.0853 k = 0.0585-0.0971 0.0000 ( 769 PWs) bands (ev): -23.6275 -23.6275 -15.2062 -15.2062 -4.5370 -4.5370 0.3737 0.3737 1.5171 1.5171 4.3853 4.3853 5.3720 5.3720 11.1872 11.1872 18.9482 18.9482 22.4116 22.4116 22.7781 22.7781 23.3336 23.3336 25.3489 25.3489 26.1284 26.1284 27.9902 27.9902 k = 0.0540-0.0896 0.0000 ( 771 PWs) bands (ev): -23.6355 -23.6355 -15.2139 -15.2139 -4.5455 -4.5455 0.4182 0.4182 1.5478 1.5478 4.4039 4.4039 5.3998 5.3998 11.1919 11.1919 18.8584 18.8584 22.4669 22.4669 22.7608 22.7608 23.3646 23.3646 25.3281 25.3281 26.1023 26.1023 27.8997 27.8997 k = 0.0495-0.0822 0.0000 ( 771 PWs) bands (ev): -23.6430 -23.6430 -15.2210 -15.2210 -4.5534 -4.5534 0.4595 0.4595 1.5767 1.5767 4.4205 4.4205 5.4263 5.4263 11.1962 11.1962 18.7741 18.7741 22.5190 22.5190 22.7409 22.7409 23.3988 23.3988 25.3071 25.3071 26.0799 26.0799 27.8146 27.8146 k = 0.0450-0.0747 0.0000 ( 773 PWs) bands (ev): -23.6499 -23.6499 -15.2276 -15.2276 -4.5606 -4.5606 0.4976 0.4976 1.6039 1.6039 4.4352 4.4352 5.4514 5.4514 11.2000 11.2000 18.6957 18.6957 22.5675 22.5675 22.7198 22.7198 23.4343 23.4343 25.2864 25.2864 26.0606 26.0606 27.7353 27.7353 k = 0.0405-0.0672 0.0000 ( 769 PWs) bands (ev): -23.6561 -23.6561 -15.2335 -15.2335 -4.5671 -4.5671 0.5322 0.5322 1.6290 1.6290 4.4482 4.4482 5.4748 5.4748 11.2035 11.2035 18.6237 18.6237 22.6120 22.6120 22.6988 22.6988 23.4699 23.4699 25.2666 25.2666 26.0443 26.0443 27.6624 27.6624 k = 0.0360-0.0598 0.0000 ( 769 PWs) bands (ev): -23.6617 -23.6617 -15.2389 -15.2389 -4.5730 -4.5730 0.5634 0.5634 1.6520 1.6520 4.4595 4.4595 5.4964 5.4964 11.2065 11.2065 18.5583 18.5583 22.6508 22.6508 22.6802 22.6802 23.5043 23.5043 25.2479 25.2479 26.0304 26.0304 27.5963 27.5963 k = 0.0315-0.0523 0.0000 ( 769 PWs) bands (ev): -23.6666 -23.6666 -15.2437 -15.2437 -4.5782 -4.5782 0.5910 0.5910 1.6728 1.6728 4.4692 4.4692 5.5158 5.5158 11.2092 11.2092 18.4998 18.4998 22.6557 22.6557 22.6926 22.6926 23.5367 23.5367 25.2307 25.2307 26.0187 26.0187 27.5372 27.5372 k = 0.0270-0.0448 0.0000 ( 771 PWs) bands (ev): -23.6710 -23.6710 -15.2479 -15.2479 -4.5828 -4.5828 0.6149 0.6149 1.6911 1.6911 4.4774 4.4774 5.5331 5.5331 11.2114 11.2114 18.4486 18.4486 22.6394 22.6394 22.7234 22.7234 23.5663 23.5663 25.2153 25.2153 26.0091 26.0091 27.4854 27.4854 k = 0.0225-0.0374 0.0000 ( 771 PWs) bands (ev): -23.6747 -23.6747 -15.2514 -15.2514 -4.5866 -4.5866 0.6353 0.6353 1.7068 1.7068 4.4841 4.4841 5.5480 5.5480 11.2133 11.2133 18.4049 18.4049 22.6244 22.6244 22.7507 22.7507 23.5924 23.5924 25.2019 25.2019 26.0012 26.0012 27.4411 27.4411 k = 0.0180-0.0299 0.0000 ( 771 PWs) bands (ev): -23.6777 -23.6777 -15.2543 -15.2543 -4.5898 -4.5898 0.6520 0.6520 1.7199 1.7199 4.4896 4.4896 5.5604 5.5604 11.2149 11.2149 18.3688 18.3688 22.6116 22.6116 22.7733 22.7733 23.6144 23.6144 25.1908 25.1908 25.9950 25.9950 27.4047 27.4047 k = 0.0135-0.0224 0.0000 ( 771 PWs) bands (ev): -23.6800 -23.6800 -15.2566 -15.2566 -4.5923 -4.5923 0.6650 0.6650 1.7302 1.7302 4.4937 4.4937 5.5701 5.5701 11.2161 11.2161 18.3406 18.3406 22.6014 22.6014 22.7910 22.7910 23.6321 23.6321 25.1820 25.1820 25.9902 25.9902 27.3761 27.3761 k = 0.0090-0.0149 0.0000 ( 771 PWs) bands (ev): -23.6817 -23.6817 -15.2582 -15.2582 -4.5940 -4.5940 0.6743 0.6743 1.7376 1.7376 4.4967 4.4967 5.5771 5.5771 11.2169 11.2169 18.3203 18.3203 22.5940 22.5940 22.8038 22.8038 23.6449 23.6449 25.1756 25.1756 25.9869 25.9869 27.3557 27.3557 k = 0.0045-0.0075 0.0000 ( 769 PWs) bands (ev): -23.6827 -23.6827 -15.2591 -15.2591 -4.5951 -4.5951 0.6798 0.6798 1.7421 1.7421 4.4984 4.4984 5.5813 5.5813 11.2175 11.2175 18.3081 18.3081 22.5895 22.5895 22.8115 22.8115 23.6527 23.6527 25.1717 25.1717 25.9849 25.9849 27.3433 27.3433 k = 0.0000 0.0000 0.0000 ( 771 PWs) bands (ev): -23.6831 -23.6831 -15.2595 -15.2595 -4.5954 -4.5954 0.6817 0.6817 1.7436 1.7436 4.4990 4.4990 5.5828 5.5828 11.2176 11.2176 18.3041 18.3041 22.5880 22.5880 22.8140 22.8140 23.6554 23.6554 25.1704 25.1704 25.9843 25.9843 27.3392 27.3392 k = 0.0000 0.0000 0.0000 ( 771 PWs) bands (ev): -23.6831 -23.6831 -15.2595 -15.2595 -4.5954 -4.5954 0.6817 0.6817 1.7436 1.7436 4.4990 4.4990 5.5828 5.5828 11.2176 11.2176 18.3041 18.3041 22.5880 22.5880 22.8140 22.8140 23.6554 23.6554 25.1704 25.1704 25.9843 25.9843 27.3392 27.3392 k = 0.0076-0.0040-0.0011 ( 768 PWs) bands (ev): -23.6827 -23.6827 -15.2592 -15.2592 -4.5950 -4.5950 0.6800 0.6800 1.7419 1.7419 4.4984 4.4984 5.5816 5.5816 11.2172 11.2172 18.3076 18.3076 22.5867 22.5867 22.8162 22.8162 23.6542 23.6542 25.1690 25.1690 25.9848 25.9848 27.3428 27.3428 k = 0.0152-0.0080-0.0022 ( 769 PWs) bands (ev): -23.6817 -23.6817 -15.2583 -15.2583 -4.5939 -4.5939 0.6749 0.6749 1.7368 1.7368 4.4967 4.4967 5.5783 5.5783 11.2158 11.2158 18.3182 18.3182 22.5827 22.5827 22.8224 22.8224 23.6508 23.6508 25.1648 25.1648 25.9862 25.9862 27.3536 27.3536 k = 0.0227-0.0120-0.0033 ( 771 PWs) bands (ev): -23.6799 -23.6799 -15.2569 -15.2569 -4.5919 -4.5919 0.6663 0.6663 1.7284 1.7284 4.4938 4.4938 5.5728 5.5728 11.2135 11.2135 18.3358 18.3358 22.5762 22.5762 22.8324 22.8324 23.6449 23.6449 25.1583 25.1583 25.9886 25.9886 27.3714 27.3714 k = 0.0303-0.0160-0.0044 ( 769 PWs) bands (ev): -23.6775 -23.6775 -15.2549 -15.2549 -4.5891 -4.5891 0.6543 0.6543 1.7168 1.7168 4.4897 4.4897 5.5650 5.5650 11.2103 11.2103 18.3604 18.3604 22.5677 22.5677 22.8458 22.8458 23.6364 23.6364 25.1499 25.1499 25.9921 25.9921 27.3958 27.3958 k = 0.0379-0.0201-0.0055 ( 769 PWs) bands (ev): -23.6744 -23.6744 -15.2523 -15.2523 -4.5855 -4.5855 0.6388 0.6388 1.7022 1.7022 4.4843 4.4843 5.5552 5.5552 11.2063 11.2063 18.3919 18.3919 22.5572 22.5572 22.8620 22.8620 23.6251 23.6251 25.1405 25.1405 25.9968 25.9968 27.4265 27.4265 k = 0.0455-0.0241-0.0067 ( 768 PWs) bands (ev): -23.6706 -23.6706 -15.2492 -15.2492 -4.5812 -4.5812 0.6196 0.6196 1.6849 1.6849 4.4776 4.4776 5.5432 5.5432 11.2013 11.2013 18.4301 18.4301 22.5451 22.5451 22.8806 22.8806 23.6109 23.6109 25.1308 25.1308 26.0027 26.0027 27.4629 27.4629 k = 0.0530-0.0281-0.0078 ( 768 PWs) bands (ev): -23.6662 -23.6662 -15.2455 -15.2455 -4.5761 -4.5761 0.5968 0.5968 1.6651 1.6651 4.4695 4.4695 5.5293 5.5293 11.1954 11.1954 18.4750 18.4750 22.5313 22.5313 22.9009 22.9009 23.5936 23.5936 25.1219 25.1219 26.0101 26.0101 27.5046 27.5046 k = 0.0606-0.0321-0.0089 ( 766 PWs) bands (ev): -23.6611 -23.6611 -15.2413 -15.2413 -4.5702 -4.5702 0.5703 0.5703 1.6430 1.6430 4.4599 4.4599 5.5133 5.5133 11.1886 11.1886 18.5262 18.5262 22.5159 22.5159 22.9225 22.9225 23.5732 23.5732 25.1144 25.1144 26.0192 26.0192 27.5508 27.5508 k = 0.0682-0.0361-0.0100 ( 768 PWs) bands (ev): -23.6554 -23.6554 -15.2365 -15.2365 -4.5636 -4.5636 0.5399 0.5399 1.6191 1.6191 4.4488 4.4488 5.4956 5.4956 11.1810 11.1810 18.5836 18.5836 22.4990 22.4990 22.9446 22.9446 23.5498 23.5498 25.1092 25.1092 26.0300 26.0300 27.6010 27.6010 k = 0.0758-0.0401-0.0111 ( 767 PWs) bands (ev): -23.6490 -23.6490 -15.2312 -15.2312 -4.5562 -4.5562 0.5057 0.5057 1.5936 1.5936 4.4360 4.4360 5.4761 5.4761 11.1724 11.1724 18.6470 18.6470 22.4804 22.4804 22.9665 22.9665 23.5240 23.5240 25.1070 25.1070 26.0429 26.0429 27.6545 27.6545 k = 0.0833-0.0441-0.0122 ( 768 PWs) bands (ev): -23.6420 -23.6420 -15.2254 -15.2254 -4.5481 -4.5481 0.4676 0.4676 1.5668 1.5668 4.4215 4.4215 5.4549 5.4549 11.1630 11.1630 18.7161 18.7161 22.4602 22.4602 22.9871 22.9871 23.4965 23.4965 25.1082 25.1082 26.0580 26.0580 27.7103 27.7103 k = 0.0909-0.0481-0.0133 ( 766 PWs) bands (ev): -23.6343 -23.6343 -15.2190 -15.2190 -4.5393 -4.5393 0.4255 0.4255 1.5391 1.5391 4.4052 4.4052 5.4323 5.4323 11.1528 11.1528 18.7905 18.7905 22.4381 22.4381 23.0051 23.0051 23.4685 23.4685 25.1133 25.1133 26.0753 26.0753 27.7676 27.7676 k = 0.0985-0.0521-0.0144 ( 764 PWs) bands (ev): -23.6261 -23.6261 -15.2122 -15.2122 -4.5298 -4.5298 0.3796 0.3796 1.5107 1.5107 4.3869 4.3869 5.4083 5.4083 11.1417 11.1417 18.8699 18.8699 22.4141 22.4141 23.0189 23.0189 23.4416 23.4416 25.1226 25.1226 26.0949 26.0949 27.8253 27.8253 k = 0.1061-0.0562-0.0155 ( 766 PWs) bands (ev): -23.6173 -23.6173 -15.2049 -15.2049 -4.5196 -4.5196 0.3298 0.3298 1.4819 1.4819 4.3667 4.3667 5.3830 5.3830 11.1298 11.1298 18.9537 18.9537 22.3881 22.3881 23.0265 23.0265 23.4180 23.4180 25.1363 25.1363 26.1167 26.1167 27.8821 27.8821 k = 0.1136-0.0602-0.0166 ( 765 PWs) bands (ev): -23.6079 -23.6079 -15.1971 -15.1971 -4.5087 -4.5087 0.2762 0.2762 1.4529 1.4529 4.3443 4.3443 5.3567 5.3567 11.1170 11.1170 19.0416 19.0416 22.3601 22.3601 23.0260 23.0260 23.3996 23.3996 25.1546 25.1546 26.1406 26.1406 27.9368 27.9368 k = 0.1212-0.0642-0.0177 ( 764 PWs) bands (ev): -23.5980 -23.5980 -15.1888 -15.1888 -4.4972 -4.4972 0.2190 0.2190 1.4239 1.4239 4.3199 4.3199 5.3295 5.3295 11.1035 11.1035 19.1329 19.1329 22.3298 22.3298 23.0165 23.0165 23.3879 23.3879 25.1777 25.1777 26.1662 26.1662 27.9882 27.9882 k = 0.1288-0.0682-0.0189 ( 764 PWs) bands (ev): -23.5875 -23.5875 -15.1802 -15.1802 -4.4850 -4.4850 0.1583 0.1583 1.3950 1.3950 4.2932 4.2932 5.3015 5.3015 11.0891 11.0891 19.2271 19.2271 22.2973 22.2973 22.9984 22.9984 23.3828 23.3828 25.2059 25.2059 26.1933 26.1933 28.0355 28.0355 k = 0.1364-0.0722-0.0200 ( 764 PWs) bands (ev): -23.5766 -23.5766 -15.1711 -15.1711 -4.4722 -4.4722 0.0943 0.0943 1.3664 1.3664 4.2643 4.2643 5.2730 5.2730 11.0740 11.0740 19.3232 19.3232 22.2625 22.2625 22.9735 22.9735 23.3830 23.3830 25.2394 25.2394 26.2212 26.2212 28.0786 28.0786 k = 0.1439-0.0762-0.0211 ( 764 PWs) bands (ev): -23.5651 -23.5651 -15.1617 -15.1617 -4.4588 -4.4588 0.0272 0.0272 1.3382 1.3382 4.2332 4.2332 5.2441 5.2441 11.0581 11.0581 19.4206 19.4206 22.2252 22.2252 22.9446 22.9446 23.3865 23.3865 25.2785 25.2785 26.2494 26.2494 28.1182 28.1182 k = 0.1515-0.0802-0.0222 ( 762 PWs) bands (ev): -23.5532 -23.5532 -15.1518 -15.1518 -4.4449 -4.4449 -0.0427 -0.0427 1.3103 1.3103 4.1997 4.1997 5.2148 5.2148 11.0416 11.0416 19.5183 19.5183 22.1854 22.1854 22.9141 22.9141 23.3915 23.3915 25.3232 25.3232 26.2774 26.2774 28.1560 28.1560 k = 0.1591-0.0842-0.0233 ( 763 PWs) bands (ev): -23.5408 -23.5408 -15.1417 -15.1417 -4.4303 -4.4303 -0.1153 -0.1153 1.2830 1.2830 4.1640 4.1640 5.1855 5.1855 11.0243 11.0243 19.6151 19.6151 22.1431 22.1431 22.8846 22.8846 23.3967 23.3967 25.3739 25.3739 26.3046 26.3046 28.1939 28.1939 k = 0.1667-0.0883-0.0244 ( 762 PWs) bands (ev): -23.5280 -23.5280 -15.1312 -15.1312 -4.4153 -4.4153 -0.1901 -0.1901 1.2561 1.2561 4.1261 4.1261 5.1562 5.1562 11.0063 11.0063 19.7098 19.7098 22.0985 22.0985 22.8578 22.8578 23.4013 23.4013 25.4305 25.4305 26.3305 26.3305 28.2336 28.2336 k = 0.1742-0.0923-0.0255 ( 764 PWs) bands (ev): -23.5148 -23.5148 -15.1204 -15.1204 -4.3998 -4.3998 -0.2671 -0.2671 1.2297 1.2297 4.0860 4.0860 5.1271 5.1271 10.9876 10.9876 19.8013 19.8013 22.0515 22.0515 22.8353 22.8353 23.4049 23.4049 25.4931 25.4931 26.3548 26.3548 28.2766 28.2766 k = 0.1818-0.0963-0.0266 ( 766 PWs) bands (ev): -23.5013 -23.5013 -15.1093 -15.1093 -4.3837 -4.3837 -0.3459 -0.3459 1.2038 1.2038 4.0437 4.0437 5.0981 5.0981 10.9684 10.9684 19.8880 19.8880 22.0024 22.0024 22.8182 22.8182 23.4080 23.4080 25.5613 25.5613 26.3775 26.3775 28.3240 28.3240 k = 0.1894-0.1003-0.0277 ( 765 PWs) bands (ev): -23.4874 -23.4874 -15.0979 -15.0979 -4.3673 -4.3673 -0.4262 -0.4262 1.1783 1.1783 3.9995 3.9995 5.0696 5.0696 10.9485 10.9485 19.9686 19.9686 21.9514 21.9514 22.8071 22.8071 23.4115 23.4115 25.6348 25.6348 26.3989 26.3989 28.3763 28.3763 k = 0.1970-0.1043-0.0288 ( 766 PWs) bands (ev): -23.4731 -23.4731 -15.0864 -15.0864 -4.3504 -4.3504 -0.5078 -0.5078 1.1534 1.1534 3.9533 3.9533 5.0415 5.0415 10.9281 10.9281 20.0417 20.0417 21.8988 21.8988 22.8018 22.8018 23.4168 23.4168 25.7128 25.7128 26.4195 26.4195 28.4335 28.4335 k = 0.2045-0.1083-0.0299 ( 764 PWs) bands (ev): -23.4586 -23.4586 -15.0745 -15.0745 -4.3330 -4.3330 -0.5904 -0.5904 1.1290 1.1290 3.9054 3.9054 5.0138 5.0138 10.9071 10.9071 20.1060 20.1060 21.8450 21.8450 22.8016 22.8016 23.4262 23.4262 25.7942 25.7942 26.4402 26.4402 28.4952 28.4952 k = 0.2121-0.1123-0.0310 ( 764 PWs) bands (ev): -23.4438 -23.4438 -15.0626 -15.0626 -4.3154 -4.3154 -0.6737 -0.6737 1.1050 1.1050 3.8558 3.8558 4.9868 4.9868 10.8856 10.8856 20.1606 20.1606 21.7902 21.7902 22.8048 22.8048 23.4426 23.4426 25.8775 25.8775 26.4627 26.4627 28.5609 28.5609 k = 0.2197-0.1163-0.0322 ( 760 PWs) bands (ev): -23.4288 -23.4288 -15.0504 -15.0504 -4.2973 -4.2973 -0.7577 -0.7577 1.0815 1.0815 3.8047 3.8047 4.9603 4.9603 10.8637 10.8637 20.2046 20.2046 21.7348 21.7348 22.8087 22.8087 23.4693 23.4693 25.9603 25.9603 26.4892 26.4892 28.6297 28.6297 k = 0.2273-0.1203-0.0333 ( 760 PWs) bands (ev): -23.4136 -23.4136 -15.0382 -15.0382 -4.2790 -4.2790 -0.8419 -0.8419 1.0585 1.0585 3.7524 3.7524 4.9344 4.9344 10.8413 10.8413 20.2377 20.2377 21.6791 21.6791 22.8105 22.8105 23.5098 23.5098 26.0394 26.0394 26.5231 26.5231 28.7007 28.7007 k = 0.2348-0.1244-0.0344 ( 761 PWs) bands (ev): -23.3983 -23.3983 -15.0258 -15.0258 -4.2603 -4.2603 -0.9263 -0.9263 1.0360 1.0360 3.6989 3.6989 4.9092 4.9092 10.8186 10.8186 20.2602 20.2602 21.6233 21.6233 22.8076 22.8076 23.5667 23.5667 26.1106 26.1106 26.5685 26.5685 28.7730 28.7730 k = 0.2424-0.1284-0.0355 ( 761 PWs) bands (ev): -23.3828 -23.3828 -15.0134 -15.0134 -4.2414 -4.2414 -1.0106 -1.0106 1.0139 1.0139 3.6445 3.6445 4.8847 4.8847 10.7955 10.7955 20.2723 20.2723 21.5676 21.5676 22.7984 22.7984 23.6413 23.6413 26.1703 26.1703 26.6290 26.6290 28.8458 28.8458 k = 0.2500-0.1324-0.0366 ( 763 PWs) bands (ev): -23.3673 -23.3673 -15.0009 -15.0009 -4.2222 -4.2222 -1.0945 -1.0945 0.9923 0.9923 3.5893 3.5893 4.8609 4.8609 10.7721 10.7721 20.2750 20.2750 21.5121 21.5121 22.7825 22.7825 23.7335 23.7335 26.2168 26.2168 26.7061 26.7061 28.9181 28.9181 k = 0.2576-0.1364-0.0377 ( 762 PWs) bands (ev): -23.3517 -23.3517 -14.9884 -14.9884 -4.2029 -4.2029 -1.1781 -1.1781 0.9712 0.9712 3.5335 3.5335 4.8377 4.8377 10.7485 10.7485 20.2691 20.2691 21.4572 21.4572 22.7603 22.7603 23.8418 23.8418 26.2519 26.2519 26.7982 26.7982 28.9895 28.9895 k = 0.2652-0.1404-0.0388 ( 760 PWs) bands (ev): -23.3360 -23.3360 -14.9760 -14.9760 -4.1833 -4.1833 -1.2609 -1.2609 0.9505 0.9505 3.4773 3.4773 4.8153 4.8153 10.7247 10.7247 20.2557 20.2557 21.4027 21.4027 22.7327 22.7327 23.9645 23.9645 26.2785 26.2785 26.9023 26.9023 29.0595 29.0595 k = 0.2727-0.1444-0.0399 ( 761 PWs) bands (ev): -23.3204 -23.3204 -14.9635 -14.9635 -4.1636 -4.1636 -1.3430 -1.3430 0.9304 0.9304 3.4210 3.4210 4.7935 4.7935 10.7008 10.7008 20.2359 20.2359 21.3490 21.3490 22.7009 22.7009 24.0991 24.0991 26.3001 26.3001 27.0149 27.0149 29.1278 29.1278 k = 0.2803-0.1484-0.0410 ( 762 PWs) bands (ev): -23.3048 -23.3048 -14.9512 -14.9512 -4.1437 -4.1437 -1.4241 -1.4241 0.9108 0.9108 3.3646 3.3646 4.7725 4.7725 10.6767 10.6767 20.2108 20.2108 21.2960 21.2960 22.6657 22.6657 24.2434 24.2434 26.3193 26.3193 27.1332 27.1332 29.1944 29.1944 k = 0.2879-0.1524-0.0421 ( 762 PWs) bands (ev): -23.2894 -23.2894 -14.9389 -14.9389 -4.1238 -4.1238 -1.5041 -1.5041 0.8917 0.8917 3.3084 3.3084 4.7522 4.7522 10.6527 10.6527 20.1814 20.1814 21.2438 21.2438 22.6280 22.6280 24.3950 24.3950 26.3385 26.3385 27.2553 27.2553 29.2595 29.2595 k = 0.2955-0.1564-0.0432 ( 761 PWs) bands (ev): -23.2740 -23.2740 -14.9268 -14.9268 -4.1038 -4.1038 -1.5829 -1.5829 0.8732 0.8732 3.2525 3.2525 4.7325 4.7325 10.6287 10.6287 20.1485 20.1485 21.1926 21.1926 22.5885 22.5885 24.5516 24.5516 26.3595 26.3595 27.3793 27.3793 29.3236 29.3236 k = 0.3030-0.1605-0.0444 ( 761 PWs) bands (ev): -23.2588 -23.2588 -14.9148 -14.9148 -4.0837 -4.0837 -1.6603 -1.6603 0.8552 0.8552 3.1971 3.1971 4.7136 4.7136 10.6048 10.6048 20.1130 20.1130 21.1424 21.1424 22.5477 22.5477 24.7107 24.7107 26.3844 26.3844 27.5039 27.5039 29.3870 29.3870 k = 0.3106-0.1645-0.0455 ( 760 PWs) bands (ev): -23.2438 -23.2438 -14.9030 -14.9030 -4.0636 -4.0636 -1.7362 -1.7362 0.8377 0.8377 3.1424 3.1424 4.6954 4.6954 10.5810 10.5810 20.0756 20.0756 21.0933 21.0933 22.5063 22.5063 24.8695 24.8695 26.4152 26.4152 27.6278 27.6278 29.4504 29.4504 k = 0.3182-0.1685-0.0466 ( 760 PWs) bands (ev): -23.2290 -23.2290 -14.8914 -14.8914 -4.0435 -4.0435 -1.8104 -1.8104 0.8209 0.8209 3.0885 3.0885 4.6779 4.6779 10.5575 10.5575 20.0369 20.0369 21.0454 21.0454 22.4646 22.4646 25.0247 25.0247 26.4545 26.4545 27.7499 27.7499 29.5144 29.5144 k = 0.3258-0.1725-0.0477 ( 761 PWs) bands (ev): -23.2145 -23.2145 -14.8801 -14.8801 -4.0234 -4.0234 -1.8830 -1.8830 0.8046 0.8046 3.0356 3.0356 4.6611 4.6611 10.5342 10.5342 19.9974 19.9974 20.9987 20.9987 22.4230 22.4230 25.1727 25.1727 26.5053 26.5053 27.8689 27.8689 29.5799 29.5799 k = 0.3333-0.1765-0.0488 ( 759 PWs) bands (ev): -23.2003 -23.2003 -14.8690 -14.8690 -4.0034 -4.0034 -1.9538 -1.9538 0.7890 0.7890 2.9838 2.9838 4.6451 4.6451 10.5113 10.5113 19.9576 19.9576 20.9534 20.9534 22.3817 22.3817 25.3095 25.3095 26.5707 26.5707 27.9838 27.9838 29.6476 29.6476 k = 0.3409-0.1805-0.0499 ( 759 PWs) bands (ev): -23.1864 -23.1864 -14.8582 -14.8582 -3.9834 -3.9834 -2.0227 -2.0227 0.7740 0.7740 2.9333 2.9333 4.6297 4.6297 10.4888 10.4888 19.9179 19.9179 20.9095 20.9095 22.3410 22.3410 25.4313 25.4313 26.6538 26.6538 28.0939 28.0939 29.7178 29.7178 k = 0.3485-0.1845-0.0510 ( 758 PWs) bands (ev): -23.1729 -23.1729 -14.8477 -14.8477 -3.9636 -3.9636 -2.0895 -2.0895 0.7596 0.7596 2.8842 2.8842 4.6151 4.6151 10.4668 10.4668 19.8785 19.8785 20.8672 20.8672 22.3012 22.3012 25.5356 25.5356 26.7566 26.7566 28.1983 28.1983 29.7912 29.7912 k = 0.3561-0.1885-0.0521 ( 757 PWs) bands (ev): -23.1598 -23.1598 -14.8376 -14.8376 -3.9439 -3.9439 -2.1542 -2.1542 0.7459 0.7459 2.8366 2.8366 4.6012 4.6012 10.4454 10.4454 19.8399 19.8399 20.8264 20.8264 22.2624 22.2624 25.6213 25.6213 26.8791 26.8791 28.2967 28.2967 29.8679 29.8679 k = 0.3636-0.1926-0.0532 ( 757 PWs) bands (ev): -23.1472 -23.1472 -14.8278 -14.8278 -3.9244 -3.9244 -2.2168 -2.2168 0.7328 0.7328 2.7907 2.7907 4.5880 4.5880 10.4245 10.4245 19.8022 19.8022 20.7873 20.7873 22.2249 22.2249 25.6895 25.6895 27.0191 27.0191 28.3889 28.3889 29.9477 29.9477 k = 0.3712-0.1966-0.0543 ( 757 PWs) bands (ev): -23.1350 -23.1350 -14.8185 -14.8185 -3.9051 -3.9051 -2.2771 -2.2771 0.7204 0.7204 2.7465 2.7465 4.5755 4.5755 10.4044 10.4044 19.7657 19.7657 20.7500 20.7500 22.1887 22.1887 25.7428 25.7428 27.1733 27.1733 28.4752 28.4752 30.0301 30.0301 k = 0.3788-0.2006-0.0554 ( 757 PWs) bands (ev): -23.1233 -23.1233 -14.8095 -14.8095 -3.8860 -3.8860 -2.3350 -2.3350 0.7087 0.7087 2.7043 2.7043 4.5637 4.5637 10.3850 10.3850 19.7306 19.7306 20.7144 20.7144 22.1540 22.1540 25.7839 25.7839 27.3373 27.3373 28.5566 28.5566 30.1144 30.1144 k = 0.3864-0.2046-0.0566 ( 758 PWs) bands (ev): -23.1122 -23.1122 -14.8010 -14.8010 -3.8672 -3.8672 -2.3905 -2.3905 0.6977 0.6977 2.6641 2.6641 4.5527 4.5527 10.3664 10.3664 19.6969 19.6969 20.6807 20.6807 22.1209 22.1209 25.8157 25.8157 27.5066 27.5066 28.6344 28.6344 30.1992 30.1992 k = 0.3939-0.2086-0.0577 ( 757 PWs) bands (ev): -23.1017 -23.1017 -14.7929 -14.7929 -3.8488 -3.8488 -2.4434 -2.4434 0.6873 0.6873 2.6259 2.6259 4.5424 4.5424 10.3486 10.3486 19.6650 19.6650 20.6489 20.6489 22.0895 22.0895 25.8402 25.8402 27.6768 27.6768 28.7108 28.7108 30.2833 30.2833 k = 0.4015-0.2126-0.0588 ( 757 PWs) bands (ev): -23.0917 -23.0917 -14.7853 -14.7853 -3.8308 -3.8308 -2.4937 -2.4937 0.6777 0.6777 2.5900 2.5900 4.5328 4.5328 10.3318 10.3318 19.6348 19.6348 20.6191 20.6191 22.0599 22.0599 25.8594 25.8594 27.8429 27.8429 28.7887 28.7887 30.3649 30.3649 k = 0.4091-0.2166-0.0599 ( 758 PWs) bands (ev): -23.0824 -23.0824 -14.7782 -14.7782 -3.8133 -3.8133 -2.5412 -2.5412 0.6688 0.6688 2.5564 2.5564 4.5239 4.5239 10.3160 10.3160 19.6065 19.6065 20.5913 20.5913 22.0323 22.0323 25.8744 25.8744 27.9998 27.9998 28.8720 28.8720 30.4423 30.4423 k = 0.4167-0.2206-0.0610 ( 757 PWs) bands (ev): -23.0737 -23.0737 -14.7715 -14.7715 -3.7964 -3.7964 -2.5858 -2.5858 0.6606 0.6606 2.5251 2.5251 4.5158 4.5158 10.3013 10.3013 19.5801 19.5801 20.5656 20.5656 22.0066 22.0066 25.8863 25.8863 28.1421 28.1421 28.9652 28.9652 30.5136 30.5136 k = 0.4242-0.2246-0.0621 ( 759 PWs) bands (ev): -23.0657 -23.0657 -14.7655 -14.7655 -3.7801 -3.7801 -2.6275 -2.6275 0.6531 0.6531 2.4963 2.4963 4.5083 4.5083 10.2876 10.2876 19.5559 19.5559 20.5420 20.5420 21.9830 21.9830 25.8957 25.8957 28.2647 28.2647 29.0720 29.0720 30.5770 30.5770 k = 0.4318-0.2287-0.0632 ( 759 PWs) bands (ev): -23.0584 -23.0584 -14.7599 -14.7599 -3.7646 -3.7646 -2.6660 -2.6660 0.6463 0.6463 2.4700 2.4700 4.5016 4.5016 10.2751 10.2751 19.5337 19.5337 20.5205 20.5205 21.9614 21.9614 25.9032 25.9032 28.3653 28.3653 29.1942 29.1942 30.6306 30.6306 k = 0.4394-0.2327-0.0643 ( 758 PWs) bands (ev): -23.0517 -23.0517 -14.7549 -14.7549 -3.7501 -3.7501 -2.7012 -2.7012 0.6403 0.6403 2.4462 2.4462 4.4956 4.4956 10.2637 10.2637 19.5138 19.5138 20.5012 20.5012 21.9420 21.9420 25.9092 25.9092 28.4443 28.4443 29.3303 29.3303 30.6727 30.6727 k = 0.4470-0.2367-0.0654 ( 758 PWs) bands (ev): -23.0459 -23.0459 -14.7505 -14.7505 -3.7366 -3.7366 -2.7330 -2.7330 0.6349 0.6349 2.4252 2.4252 4.4903 4.4903 10.2536 10.2536 19.4961 19.4961 20.4841 20.4841 21.9248 21.9248 25.9140 25.9140 28.5047 28.5047 29.4763 29.4763 30.7015 30.7015 k = 0.4545-0.2407-0.0665 ( 758 PWs) bands (ev): -23.0407 -23.0407 -14.7466 -14.7466 -3.7244 -3.7244 -2.7610 -2.7610 0.6303 0.6303 2.4068 2.4068 4.4857 4.4857 10.2448 10.2448 19.4806 19.4806 20.4692 20.4692 21.9098 21.9098 25.9178 25.9178 28.5503 28.5503 29.6274 29.6274 30.7155 30.7155 k = 0.4621-0.2447-0.0676 ( 757 PWs) bands (ev): -23.0363 -23.0363 -14.7433 -14.7433 -3.7136 -3.7136 -2.7853 -2.7853 0.6264 0.6264 2.3912 2.3912 4.4818 4.4818 10.2373 10.2373 19.4675 19.4675 20.4566 20.4566 21.8970 21.8970 25.9208 25.9208 28.5845 28.5845 29.7790 29.7790 30.7135 30.7135 k = 0.4697-0.2487-0.0688 ( 757 PWs) bands (ev): -23.0327 -23.0327 -14.7407 -14.7407 -3.7045 -3.7045 -2.8054 -2.8054 0.6232 0.6232 2.3784 2.3784 4.4786 4.4786 10.2311 10.2311 19.4568 19.4568 20.4463 20.4463 21.8866 21.8866 25.9231 25.9231 28.6097 28.6097 29.9269 29.9269 30.6944 30.6944 k = 0.4773-0.2527-0.0699 ( 757 PWs) bands (ev): -23.0299 -23.0299 -14.7385 -14.7385 -3.6971 -3.6971 -2.8214 -2.8214 0.6207 0.6207 2.3683 2.3683 4.4761 4.4761 10.2262 10.2262 19.4484 19.4484 20.4382 20.4382 21.8784 21.8784 25.9248 25.9248 28.6278 28.6278 30.0678 30.0678 30.6579 30.6579 k = 0.4848-0.2567-0.0710 ( 761 PWs) bands (ev): -23.0280 -23.0280 -14.7370 -14.7370 -3.6918 -3.6918 -2.8329 -2.8329 0.6189 0.6189 2.3612 2.3612 4.4744 4.4744 10.2228 10.2228 19.4423 19.4423 20.4325 20.4325 21.8726 21.8726 25.9260 25.9260 28.6400 28.6400 30.1982 30.1982 30.6042 30.6042 k = 0.4924-0.2607-0.0721 ( 761 PWs) bands (ev): -23.0268 -23.0268 -14.7361 -14.7361 -3.6885 -3.6885 -2.8399 -2.8399 0.6178 0.6178 2.3569 2.3569 4.4733 4.4733 10.2207 10.2207 19.4387 19.4387 20.4290 20.4290 21.8691 21.8691 25.9267 25.9267 28.6470 28.6470 30.3126 30.3126 30.5366 30.5366 k = 0.5000-0.2648-0.0732 ( 760 PWs) bands (ev): -23.0264 -23.0264 -14.7358 -14.7358 -3.6874 -3.6874 -2.8422 -2.8422 0.6175 0.6175 2.3554 2.3554 4.4730 4.4730 10.2200 10.2200 19.4375 19.4375 20.4278 20.4278 21.8679 21.8679 25.9269 25.9269 28.6493 28.6493 30.3796 30.3796 30.4854 30.4854 k = 0.5000-0.2648 0.2600 ( 768 PWs) bands (ev): -22.9974 -22.9974 -14.8667 -14.8667 -3.4442 -3.4442 -2.8636 -2.8636 0.4774 0.4774 2.3971 2.3971 4.7898 4.7898 10.0912 10.0912 19.0191 19.0191 20.8390 20.8390 22.2961 22.2961 23.7798 23.7798 27.3209 27.3209 30.7797 30.7797 31.6700 31.6700 k = 0.4931-0.2611 0.2564 ( 769 PWs) bands (ev): -22.9978 -22.9978 -14.8670 -14.8670 -3.4457 -3.4457 -2.8610 -2.8610 0.4778 0.4778 2.3982 2.3982 4.7899 4.7899 10.0917 10.0917 19.0202 19.0202 20.8385 20.8385 22.2963 22.2963 23.7830 23.7830 27.3209 27.3209 30.7522 30.7522 31.6854 31.6854 k = 0.4861-0.2574 0.2528 ( 769 PWs) bands (ev): -22.9988 -22.9988 -14.8676 -14.8676 -3.4501 -3.4501 -2.8534 -2.8534 0.4790 0.4790 2.4014 2.4014 4.7903 4.7903 10.0931 10.0931 19.0235 19.0235 20.8371 20.8371 22.2971 22.2971 23.7923 23.7923 27.3211 27.3211 30.6756 30.6756 31.7256 31.7256 k = 0.4792-0.2537 0.2491 ( 769 PWs) bands (ev): -23.0005 -23.0005 -14.8687 -14.8687 -3.4573 -3.4573 -2.8409 -2.8409 0.4809 0.4809 2.4068 2.4068 4.7908 4.7908 10.0955 10.0955 19.0289 19.0289 20.8347 20.8347 22.2984 22.2984 23.8078 23.8078 27.3213 27.3213 30.5623 30.5623 31.7776 31.7776 k = 0.4722-0.2501 0.2455 ( 768 PWs) bands (ev): -23.0030 -23.0030 -14.8701 -14.8701 -3.4668 -3.4668 -2.8238 -2.8238 0.4836 0.4836 2.4144 2.4144 4.7917 4.7917 10.0989 10.0989 19.0364 19.0364 20.8315 20.8315 22.3004 22.3004 23.8291 23.8291 27.3216 27.3216 30.4235 30.4235 31.8296 31.8296 k = 0.4653-0.2464 0.2419 ( 766 PWs) bands (ev): -23.0061 -23.0061 -14.8720 -14.8720 -3.4784 -3.4784 -2.8025 -2.8025 0.4870 0.4870 2.4241 2.4241 4.7927 4.7927 10.1032 10.1032 19.0462 19.0462 20.8275 20.8275 22.3032 22.3032 23.8559 23.8559 27.3221 27.3221 30.2669 30.2669 31.8732 31.8732 k = 0.4583-0.2427 0.2383 ( 766 PWs) bands (ev): -23.0099 -23.0099 -14.8743 -14.8743 -3.4918 -3.4918 -2.7774 -2.7774 0.4912 0.4912 2.4359 2.4359 4.7940 4.7940 10.1085 10.1085 19.0581 19.0581 20.8228 20.8228 22.3070 22.3070 23.8878 23.8878 27.3227 27.3227 30.0974 30.0974 31.9027 31.9027 k = 0.4514-0.2390 0.2347 ( 765 PWs) bands (ev): -23.0144 -23.0144 -14.8770 -14.8770 -3.5066 -3.5066 -2.7487 -2.7487 0.4962 0.4962 2.4499 2.4499 4.7955 4.7955 10.1147 10.1147 19.0721 19.0721 20.8175 20.8175 22.3120 22.3120 23.9243 23.9243 27.3234 27.3234 29.9182 29.9182 31.9145 31.9145 k = 0.4444-0.2353 0.2311 ( 763 PWs) bands (ev): -23.0195 -23.0195 -14.8802 -14.8802 -3.5225 -3.5225 -2.7169 -2.7169 0.5019 0.5019 2.4659 2.4659 4.7973 4.7973 10.1219 10.1219 19.0882 19.0882 20.8118 20.8118 22.3183 22.3183 23.9648 23.9648 27.3243 27.3243 29.7317 29.7317 31.9066 31.9066 k = 0.4375-0.2317 0.2275 ( 762 PWs) bands (ev): -23.0252 -23.0252 -14.8837 -14.8837 -3.5392 -3.5392 -2.6822 -2.6822 0.5084 0.5084 2.4841 2.4841 4.7994 4.7994 10.1300 10.1300 19.1065 19.1065 20.8057 20.8057 22.3261 22.3261 24.0089 24.0089 27.3254 27.3254 29.5395 29.5395 31.8784 31.8784 k = 0.4306-0.2280 0.2239 ( 762 PWs) bands (ev): -23.0317 -23.0317 -14.8876 -14.8876 -3.5567 -3.5567 -2.6448 -2.6448 0.5156 0.5156 2.5043 2.5043 4.8017 4.8017 10.1390 10.1390 19.1269 19.1269 20.7995 20.7995 22.3354 22.3354 24.0558 24.0558 27.3266 27.3266 29.3430 29.3430 31.8305 31.8305 k = 0.4236-0.2243 0.2203 ( 760 PWs) bands (ev): -23.0387 -23.0387 -14.8918 -14.8918 -3.5747 -3.5747 -2.6048 -2.6048 0.5235 0.5235 2.5266 2.5266 4.8043 4.8043 10.1489 10.1489 19.1493 19.1493 20.7932 20.7932 22.3465 22.3465 24.1051 24.1051 27.3279 27.3279 29.1432 29.1432 31.7645 31.7645 k = 0.4167-0.2206 0.2167 ( 760 PWs) bands (ev): -23.0463 -23.0463 -14.8964 -14.8964 -3.5931 -3.5931 -2.5626 -2.5626 0.5321 0.5321 2.5509 2.5509 4.8072 4.8072 10.1597 10.1597 19.1738 19.1738 20.7870 20.7870 22.3594 22.3594 24.1560 24.1560 27.3295 27.3295 28.9410 28.9410 31.6828 31.6828 k = 0.4097-0.2170 0.2130 ( 763 PWs) bands (ev): -23.0546 -23.0546 -14.9015 -14.9015 -3.6119 -3.6119 -2.5181 -2.5181 0.5415 0.5415 2.5772 2.5772 4.8103 4.8103 10.1714 10.1714 19.2003 19.2003 20.7812 20.7812 22.3740 22.3740 24.2079 24.2079 27.3311 27.3311 28.7374 28.7374 31.5878 31.5878 k = 0.4028-0.2133 0.2094 ( 763 PWs) bands (ev): -23.0634 -23.0634 -14.9068 -14.9068 -3.6309 -3.6309 -2.4716 -2.4716 0.5516 0.5516 2.6055 2.6055 4.8138 4.8138 10.1839 10.1839 19.2288 19.2288 20.7757 20.7757 22.3906 22.3906 24.2602 24.2602 27.3329 27.3329 28.5331 28.5331 31.4820 31.4820 k = 0.3958-0.2096 0.2058 ( 761 PWs) bands (ev): -23.0727 -23.0727 -14.9124 -14.9124 -3.6501 -3.6501 -2.4230 -2.4230 0.5624 0.5624 2.6357 2.6357 4.8175 4.8175 10.1973 10.1973 19.2593 19.2593 20.7709 20.7709 22.4090 22.4090 24.3121 24.3121 27.3346 27.3346 28.3288 28.3288 31.3677 31.3677 k = 0.3889-0.2059 0.2022 ( 760 PWs) bands (ev): -23.0826 -23.0826 -14.9184 -14.9184 -3.6695 -3.6695 -2.3725 -2.3725 0.5738 0.5738 2.6677 2.6677 4.8216 4.8216 10.2115 10.2115 19.2917 19.2917 20.7667 20.7667 22.4293 22.4293 24.3629 24.3629 27.3361 27.3361 28.1254 28.1254 31.2470 31.2470 k = 0.3819-0.2022 0.1986 ( 762 PWs) bands (ev): -23.0930 -23.0930 -14.9246 -14.9246 -3.6891 -3.6891 -2.3201 -2.3201 0.5860 0.5860 2.7016 2.7016 4.8260 4.8260 10.2265 10.2265 19.3258 19.3258 20.7634 20.7634 22.4514 22.4514 24.4119 24.4119 27.3369 27.3369 27.9240 27.9240 31.1217 31.1217 k = 0.3750-0.1986 0.1950 ( 763 PWs) bands (ev): -23.1038 -23.1038 -14.9312 -14.9312 -3.7088 -3.7088 -2.2660 -2.2660 0.5988 0.5988 2.7373 2.7373 4.8307 4.8307 10.2423 10.2423 19.3618 19.3618 20.7610 20.7610 22.4752 22.4752 24.4582 24.4582 27.3357 27.3357 27.7265 27.7265 30.9933 30.9933 k = 0.3681-0.1949 0.1914 ( 761 PWs) bands (ev): -23.1151 -23.1151 -14.9379 -14.9379 -3.7286 -3.7286 -2.2101 -2.2101 0.6122 0.6122 2.7747 2.7747 4.8358 4.8358 10.2588 10.2588 19.3994 19.3994 20.7597 20.7597 22.5007 22.5007 24.5010 24.5010 27.3268 27.3268 27.5393 27.5393 30.8633 30.8633 k = 0.3611-0.1912 0.1878 ( 760 PWs) bands (ev): -23.1269 -23.1269 -14.9450 -14.9450 -3.7486 -3.7486 -2.1525 -2.1525 0.6263 0.6263 2.8137 2.8137 4.8412 4.8412 10.2761 10.2761 19.4385 19.4385 20.7595 20.7595 22.5278 22.5278 24.5394 24.5394 27.2676 27.2676 27.4057 27.4057 30.7326 30.7326 k = 0.3542-0.1875 0.1842 ( 759 PWs) bands (ev): -23.1390 -23.1390 -14.9522 -14.9522 -3.7688 -3.7688 -2.0933 -2.0933 0.6411 0.6411 2.8543 2.8543 4.8470 4.8470 10.2941 10.2941 19.4791 19.4791 20.7607 20.7607 22.5563 22.5563 24.5725 24.5725 27.1098 27.1098 27.3745 27.3745 30.6024 30.6024 k = 0.3472-0.1839 0.1805 ( 760 PWs) bands (ev): -23.1516 -23.1516 -14.9597 -14.9597 -3.7891 -3.7891 -2.0326 -2.0326 0.6564 0.6564 2.8965 2.8965 4.8532 4.8532 10.3128 10.3128 19.5210 19.5210 20.7632 20.7632 22.5862 22.5862 24.5993 24.5993 26.9308 26.9308 27.3693 27.3693 30.4733 30.4733 k = 0.3403-0.1802 0.1769 ( 759 PWs) bands (ev): -23.1645 -23.1645 -14.9674 -14.9674 -3.8095 -3.8095 -1.9703 -1.9703 0.6723 0.6723 2.9401 2.9401 4.8597 4.8597 10.3321 10.3321 19.5639 19.5639 20.7672 20.7672 22.6172 22.6172 24.6185 24.6185 26.7533 26.7533 27.3684 27.3684 30.3460 30.3460 k = 0.3333-0.1765 0.1733 ( 760 PWs) bands (ev): -23.1777 -23.1777 -14.9753 -14.9753 -3.8301 -3.8301 -1.9066 -1.9066 0.6889 0.6889 2.9850 2.9850 4.8667 4.8667 10.3520 10.3520 19.6077 19.6077 20.7728 20.7728 22.6493 22.6493 24.6292 24.6292 26.5815 26.5815 27.3683 27.3683 30.2212 30.2212 k = 0.3264-0.1728 0.1697 ( 759 PWs) bands (ev): -23.1912 -23.1912 -14.9832 -14.9832 -3.8508 -3.8508 -1.8415 -1.8415 0.7060 0.7060 3.0312 3.0312 4.8741 4.8741 10.3725 10.3725 19.6520 19.6520 20.7801 20.7801 22.6822 22.6822 24.6299 24.6299 26.4177 26.4177 27.3680 27.3680 30.0993 30.0993 k = 0.3194-0.1692 0.1661 ( 759 PWs) bands (ev): -23.2051 -23.2051 -14.9914 -14.9914 -3.8717 -3.8717 -1.7751 -1.7751 0.7236 0.7236 3.0785 3.0785 4.8819 4.8819 10.3936 10.3936 19.6966 19.6966 20.7892 20.7892 22.7157 22.7157 24.6196 24.6196 26.2634 26.2634 27.3670 27.3670 29.9808 29.9808 k = 0.3125-0.1655 0.1625 ( 758 PWs) bands (ev): -23.2191 -23.2191 -14.9996 -14.9996 -3.8927 -3.8927 -1.7074 -1.7074 0.7419 0.7419 3.1269 3.1269 4.8901 4.8901 10.4152 10.4152 19.7411 19.7411 20.8002 20.8002 22.7496 22.7496 24.5970 24.5970 26.1203 26.1203 27.3648 27.3648 29.8661 29.8661 k = 0.3056-0.1618 0.1589 ( 757 PWs) bands (ev): -23.2334 -23.2334 -15.0080 -15.0080 -3.9139 -3.9139 -1.6386 -1.6386 0.7606 0.7606 3.1762 3.1762 4.8988 4.8988 10.4373 10.4373 19.7850 19.7850 20.8134 20.8134 22.7836 22.7836 24.5613 24.5613 25.9896 25.9896 27.3611 27.3611 29.7555 29.7555 k = 0.2986-0.1581 0.1553 ( 757 PWs) bands (ev): -23.2478 -23.2478 -15.0165 -15.0165 -3.9352 -3.9352 -1.5686 -1.5686 0.7798 0.7798 3.2264 3.2264 4.9079 4.9079 10.4598 10.4598 19.8277 19.8277 20.8290 20.8290 22.8175 22.8175 24.5123 24.5123 25.8721 25.8721 27.3554 27.3554 29.6495 29.6495 k = 0.2917-0.1544 0.1517 ( 757 PWs) bands (ev): -23.2624 -23.2624 -15.0250 -15.0250 -3.9566 -3.9566 -1.4975 -1.4975 0.7996 0.7996 3.2772 3.2772 4.9176 4.9176 10.4828 10.4828 19.8687 19.8687 20.8472 20.8472 22.8508 22.8508 24.4506 24.4506 25.7679 25.7679 27.3473 27.3473 29.5482 29.5482 k = 0.2847-0.1508 0.1480 ( 756 PWs) bands (ev): -23.2772 -23.2772 -15.0336 -15.0336 -3.9781 -3.9781 -1.4256 -1.4256 0.8198 0.8198 3.3286 3.3286 4.9277 4.9277 10.5061 10.5061 19.9071 19.9071 20.8683 20.8683 22.8831 22.8831 24.3776 24.3776 25.6765 25.6765 27.3363 27.3363 29.4521 29.4521 k = 0.2778-0.1471 0.1444 ( 758 PWs) bands (ev): -23.2920 -23.2920 -15.0423 -15.0423 -3.9998 -3.9998 -1.3527 -1.3527 0.8405 0.8405 3.3805 3.3805 4.9384 4.9384 10.5297 10.5297 19.9423 19.9423 20.8926 20.8926 22.9141 22.9141 24.2957 24.2957 25.5967 25.5967 27.3219 27.3219 29.3615 29.3615 k = 0.2708-0.1434 0.1408 ( 758 PWs) bands (ev): -23.3069 -23.3069 -15.0509 -15.0509 -4.0215 -4.0215 -1.2792 -1.2792 0.8617 0.8617 3.4326 3.4326 4.9496 4.9496 10.5537 10.5537 19.9733 19.9733 20.9205 20.9205 22.9432 22.9432 24.2076 24.2076 25.5266 25.5266 27.3037 27.3037 29.2768 29.2768 k = 0.2639-0.1397 0.1372 ( 760 PWs) bands (ev): -23.3219 -23.3219 -15.0595 -15.0595 -4.0432 -4.0432 -1.2049 -1.2049 0.8833 0.8833 3.4849 3.4849 4.9613 4.9613 10.5778 10.5778 19.9992 19.9992 20.9524 20.9524 22.9698 22.9698 24.1163 24.1163 25.4647 25.4647 27.2812 27.2812 29.1982 29.1982 k = 0.2569-0.1361 0.1336 ( 760 PWs) bands (ev): -23.3368 -23.3368 -15.0682 -15.0682 -4.0650 -4.0650 -1.1301 -1.1301 0.9053 0.9053 3.5371 3.5371 4.9737 4.9737 10.6022 10.6022 20.0193 20.0193 20.9884 20.9884 22.9933 22.9933 24.0250 24.0250 25.4094 25.4094 27.2539 27.2539 29.1262 29.1262 k = 0.2500-0.1324 0.1300 ( 759 PWs) bands (ev): -23.3518 -23.3518 -15.0767 -15.0767 -4.0869 -4.0869 -1.0549 -1.0549 0.9278 0.9278 3.5892 3.5892 4.9866 4.9866 10.6267 10.6267 20.0326 20.0326 21.0288 21.0288 23.0130 23.0130 23.9363 23.9363 25.3596 25.3596 27.2215 27.2215 29.0610 29.0610 k = 0.2431-0.1287 0.1264 ( 757 PWs) bands (ev): -23.3667 -23.3667 -15.0852 -15.0852 -4.1087 -4.1087 -0.9794 -0.9794 0.9507 0.9507 3.6409 3.6409 5.0002 5.0002 10.6514 10.6514 20.0385 20.0385 21.0737 21.0737 23.0283 23.0283 23.8526 23.8526 25.3145 25.3145 27.1839 27.1839 29.0028 29.0028 k = 0.2361-0.1250 0.1228 ( 760 PWs) bands (ev): -23.3815 -23.3815 -15.0937 -15.0937 -4.1304 -4.1304 -0.9037 -0.9037 0.9739 0.9739 3.6922 3.6922 5.0143 5.0143 10.6761 10.6761 20.0366 20.0366 21.1229 21.1229 23.0385 23.0385 23.7757 23.7757 25.2736 25.2736 27.1409 27.1409 28.9516 28.9516 k = 0.2292-0.1213 0.1192 ( 759 PWs) bands (ev): -23.3963 -23.3963 -15.1021 -15.1021 -4.1521 -4.1521 -0.8280 -0.8280 0.9976 0.9976 3.7428 3.7428 5.0292 5.0292 10.7008 10.7008 20.0264 20.0264 21.1763 21.1763 23.0433 23.0433 23.7070 23.7070 25.2368 25.2368 27.0928 27.0928 28.9073 28.9073 k = 0.2222-0.1177 0.1155 ( 760 PWs) bands (ev): -23.4109 -23.4109 -15.1104 -15.1104 -4.1737 -4.1737 -0.7524 -0.7524 1.0216 1.0216 3.7925 3.7925 5.0448 5.0448 10.7254 10.7254 20.0079 20.0079 21.2335 21.2335 23.0429 23.0429 23.6472 23.6472 25.2040 25.2040 27.0397 27.0397 28.8698 28.8698 k = 0.2153-0.1140 0.1119 ( 762 PWs) bands (ev): -23.4253 -23.4253 -15.1185 -15.1185 -4.1951 -4.1951 -0.6770 -0.6770 1.0461 1.0461 3.8412 3.8412 5.0610 5.0610 10.7500 10.7500 19.9810 19.9810 21.2941 21.2941 23.0378 23.0378 23.5960 23.5960 25.1754 25.1754 26.9823 26.9823 28.8386 28.8386 k = 0.2083-0.1103 0.1083 ( 765 PWs) bands (ev): -23.4396 -23.4396 -15.1266 -15.1266 -4.2164 -4.2164 -0.6021 -0.6021 1.0709 1.0709 3.8888 3.8888 5.0780 5.0780 10.7744 10.7744 19.9461 19.9461 21.3576 21.3576 23.0294 23.0294 23.5525 23.5525 25.1510 25.1510 26.9212 26.9212 28.8134 28.8134 k = 0.2014-0.1066 0.1047 ( 765 PWs) bands (ev): -23.4537 -23.4537 -15.1345 -15.1345 -4.2374 -4.2374 -0.5277 -0.5277 1.0961 1.0961 3.9350 3.9350 5.0957 5.0957 10.7987 10.7987 19.9034 19.9034 21.4236 21.4236 23.0191 23.0191 23.5152 23.5152 25.1310 25.1310 26.8570 26.8570 28.7935 28.7935 k = 0.1944-0.1030 0.1011 ( 765 PWs) bands (ev): -23.4675 -23.4675 -15.1422 -15.1422 -4.2582 -4.2582 -0.4542 -0.4542 1.1216 1.1216 3.9797 3.9797 5.1141 5.1141 10.8227 10.8227 19.8536 19.8536 21.4915 21.4915 23.0088 23.0088 23.4824 23.4824 25.1153 25.1153 26.7908 26.7908 28.7783 28.7783 k = 0.1875-0.0993 0.0975 ( 765 PWs) bands (ev): -23.4811 -23.4811 -15.1498 -15.1498 -4.2787 -4.2787 -0.3816 -0.3816 1.1476 1.1476 4.0228 4.0228 5.1332 5.1332 10.8464 10.8464 19.7972 19.7972 21.5609 21.5609 22.9999 22.9999 23.4526 23.4526 25.1040 25.1040 26.7232 26.7232 28.7672 28.7672 k = 0.1806-0.0956 0.0939 ( 764 PWs) bands (ev): -23.4944 -23.4944 -15.1572 -15.1572 -4.2988 -4.2988 -0.3101 -0.3101 1.1738 1.1738 4.0642 4.0642 5.1530 5.1530 10.8698 10.8698 19.7350 19.7350 21.6312 21.6312 22.9932 22.9932 23.4247 23.4247 25.0966 25.0966 26.6553 26.6553 28.7591 28.7591 k = 0.1736-0.0919 0.0903 ( 766 PWs) bands (ev): -23.5074 -23.5074 -15.1644 -15.1644 -4.3187 -4.3187 -0.2399 -0.2399 1.2005 1.2005 4.1037 4.1037 5.1735 5.1735 10.8928 10.8928 19.6677 19.6677 21.7020 21.7020 22.9892 22.9892 23.3982 23.3982 25.0929 25.0929 26.5879 26.5879 28.7529 28.7529 k = 0.1667-0.0883 0.0867 ( 766 PWs) bands (ev): -23.5201 -23.5201 -15.1714 -15.1714 -4.3380 -4.3380 -0.1713 -0.1713 1.2275 1.2275 4.1412 4.1412 5.1946 5.1946 10.9153 10.9153 19.5964 19.5964 21.7730 21.7730 22.9876 22.9876 23.3731 23.3731 25.0923 25.0923 26.5220 26.5220 28.7463 28.7463 k = 0.1597-0.0846 0.0830 ( 765 PWs) bands (ev): -23.5324 -23.5324 -15.1782 -15.1782 -4.3570 -4.3570 -0.1043 -0.1043 1.2548 1.2548 4.1767 4.1767 5.2163 5.2163 10.9374 10.9374 19.5217 19.5217 21.8436 21.8436 22.9876 22.9876 23.3502 23.3502 25.0941 25.0941 26.4582 26.4582 28.7340 28.7341 k = 0.1528-0.0809 0.0794 ( 765 PWs) bands (ev): -23.5444 -23.5444 -15.1848 -15.1848 -4.3755 -4.3755 -0.0393 -0.0393 1.2825 1.2825 4.2100 4.2100 5.2384 5.2384 10.9590 10.9590 19.4446 19.4446 21.9135 21.9135 22.9879 22.9879 23.3307 23.3307 25.0977 25.0977 26.3975 26.3975 28.7024 28.7024 k = 0.1458-0.0772 0.0758 ( 764 PWs) bands (ev): -23.5560 -23.5560 -15.1911 -15.1911 -4.3934 -4.3934 0.0236 0.0236 1.3104 1.3104 4.2413 4.2413 5.2609 5.2609 10.9799 10.9799 19.3659 19.3659 21.9823 21.9823 22.9864 22.9864 23.3162 23.3162 25.1024 25.1024 26.3405 26.3405 28.6348 28.6348 k = 0.1389-0.0735 0.0722 ( 763 PWs) bands (ev): -23.5671 -23.5671 -15.1972 -15.1972 -4.4108 -4.4108 0.0843 0.0843 1.3386 1.3386 4.2703 4.2703 5.2837 5.2837 11.0003 11.0003 19.2863 19.2863 22.0498 22.0498 22.9811 22.9811 23.3088 23.3088 25.1075 25.1075 26.2879 26.2879 28.5416 28.5416 k = 0.1319-0.0699 0.0686 ( 764 PWs) bands (ev): -23.5779 -23.5779 -15.2030 -15.2030 -4.4276 -4.4276 0.1425 0.1425 1.3669 1.3669 4.2973 4.2973 5.3066 5.3066 11.0199 11.0199 19.2067 19.2067 22.1156 22.1156 22.9704 22.9704 23.3096 23.3096 25.1125 25.1125 26.2401 26.2401 28.4404 28.4404 k = 0.1250-0.0662 0.0650 ( 766 PWs) bands (ev): -23.5882 -23.5882 -15.2087 -15.2087 -4.4438 -4.4438 0.1981 0.1981 1.3954 1.3954 4.3222 4.3222 5.3295 5.3295 11.0389 11.0389 19.1276 19.1276 22.1794 22.1794 22.9540 22.9540 23.3187 23.3187 25.1169 25.1169 26.1974 26.1974 28.3387 28.3387 k = 0.1181-0.0625 0.0614 ( 767 PWs) bands (ev): -23.5980 -23.5980 -15.2140 -15.2140 -4.4593 -4.4593 0.2509 0.2509 1.4239 1.4239 4.3450 4.3450 5.3522 5.3522 11.0571 11.0571 19.0498 19.0498 22.2411 22.2411 22.9325 22.9325 23.3352 23.3352 25.1203 25.1203 26.1601 26.1601 28.2393 28.2393 k = 0.1111-0.0588 0.0578 ( 768 PWs) bands (ev): -23.6074 -23.6074 -15.2191 -15.2191 -4.4741 -4.4741 0.3008 0.3008 1.4524 1.4524 4.3658 4.3658 5.3746 5.3746 11.0745 11.0745 18.9738 18.9738 22.3003 22.3003 22.9072 22.9072 23.3575 23.3575 25.1228 25.1228 26.1281 26.1281 28.1434 28.1434 k = 0.1042-0.0552 0.0542 ( 767 PWs) bands (ev): -23.6162 -23.6162 -15.2239 -15.2239 -4.4882 -4.4882 0.3478 0.3478 1.4806 1.4806 4.3847 4.3847 5.3966 5.3966 11.0910 11.0910 18.9002 18.9002 22.3570 22.3570 22.8795 22.8795 23.3836 23.3836 25.1243 25.1243 26.1010 26.1010 28.0516 28.0516 k = 0.0972-0.0515 0.0506 ( 765 PWs) bands (ev): -23.6246 -23.6246 -15.2284 -15.2284 -4.5015 -4.5015 0.3917 0.3917 1.5084 1.5084 4.4018 4.4018 5.4179 5.4179 11.1067 11.1067 18.8293 18.8293 22.4109 22.4109 22.8506 22.8506 23.4121 23.4121 25.1253 25.1253 26.0786 26.0786 27.9643 27.9643 k = 0.0903-0.0478 0.0469 ( 766 PWs) bands (ev): -23.6325 -23.6325 -15.2326 -15.2326 -4.5140 -4.5140 0.4325 0.4325 1.5357 1.5357 4.4171 4.4171 5.4385 5.4385 11.1214 11.1214 18.7617 18.7617 22.4617 22.4617 22.8215 22.8215 23.4417 23.4417 25.1259 25.1259 26.0603 26.0603 27.8819 27.8819 k = 0.0833-0.0441 0.0433 ( 765 PWs) bands (ev): -23.6398 -23.6398 -15.2365 -15.2365 -4.5258 -4.5258 0.4702 0.4702 1.5622 1.5622 4.4308 4.4308 5.4582 5.4582 11.1353 11.1353 18.6977 18.6977 22.5092 22.5092 22.7931 22.7931 23.4711 23.4711 25.1267 25.1267 26.0455 26.0455 27.8047 27.8047 k = 0.0764-0.0404 0.0397 ( 767 PWs) bands (ev): -23.6466 -23.6466 -15.2402 -15.2402 -4.5366 -4.5366 0.5046 0.5046 1.5878 1.5878 4.4430 4.4430 5.4768 5.4768 11.1481 11.1481 18.6376 18.6376 22.5530 22.5530 22.7662 22.7662 23.4996 23.4996 25.1279 25.1279 26.0335 26.0335 27.7327 27.7327 k = 0.0694-0.0368 0.0361 ( 766 PWs) bands (ev): -23.6528 -23.6528 -15.2435 -15.2435 -4.5466 -4.5466 0.5359 0.5359 1.6121 1.6121 4.4537 4.4537 5.4942 5.4942 11.1599 11.1599 18.5818 18.5818 22.5923 22.5923 22.7418 22.7418 23.5265 23.5265 25.1300 25.1300 26.0237 26.0237 27.6663 27.6663 k = 0.0625-0.0331 0.0325 ( 767 PWs) bands (ev): -23.6585 -23.6585 -15.2465 -15.2465 -4.5558 -4.5558 0.5641 0.5641 1.6351 1.6351 4.4630 4.4630 5.5103 5.5103 11.1707 11.1707 18.5306 18.5306 22.6251 22.6251 22.7222 22.7222 23.5513 23.5513 25.1330 25.1330 26.0157 26.0157 27.6055 27.6055 k = 0.0556-0.0294 0.0289 ( 767 PWs) bands (ev): -23.6636 -23.6636 -15.2492 -15.2492 -4.5640 -4.5640 0.5891 0.5891 1.6564 1.6564 4.4711 4.4711 5.5250 5.5250 11.1804 11.1804 18.4841 18.4841 22.6451 22.6451 22.7139 22.7139 23.5736 23.5736 25.1371 25.1371 26.0090 26.0090 27.5507 27.5507 k = 0.0486-0.0257 0.0253 ( 766 PWs) bands (ev): -23.6681 -23.6681 -15.2516 -15.2516 -4.5713 -4.5713 0.6111 0.6111 1.6758 1.6758 4.4780 4.4780 5.5382 5.5382 11.1890 11.1890 18.4426 18.4426 22.6451 22.6451 22.7241 22.7241 23.5932 23.5932 25.1420 25.1420 26.0033 26.0033 27.5018 27.5018 k = 0.0417-0.0221 0.0217 ( 768 PWs) bands (ev): -23.6721 -23.6721 -15.2537 -15.2537 -4.5777 -4.5777 0.6300 0.6300 1.6931 1.6931 4.4838 4.4838 5.5498 5.5498 11.1966 11.1966 18.4063 18.4063 22.6342 22.6342 22.7438 22.7438 23.6101 23.6101 25.1474 25.1474 25.9984 25.9984 27.4592 27.4592 k = 0.0347-0.0184 0.0181 ( 768 PWs) bands (ev): -23.6754 -23.6754 -15.2555 -15.2555 -4.5831 -4.5831 0.6459 0.6459 1.7081 1.7081 4.4886 4.4886 5.5598 5.5598 11.2030 11.2030 18.3753 18.3753 22.6215 22.6215 22.7639 22.7639 23.6242 23.6242 25.1531 25.1531 25.9942 25.9942 27.4228 27.4228 k = 0.0278-0.0147 0.0144 ( 768 PWs) bands (ev): -23.6781 -23.6781 -15.2569 -15.2569 -4.5875 -4.5875 0.6588 0.6588 1.7207 1.7207 4.4924 4.4924 5.5680 5.5680 11.2082 11.2082 18.3498 18.3498 22.6099 22.6099 22.7815 22.7815 23.6356 23.6356 25.1586 25.1586 25.9908 25.9908 27.3929 27.3929 k = 0.0208-0.0110 0.0108 ( 769 PWs) bands (ev): -23.6803 -23.6803 -15.2580 -15.2580 -4.5910 -4.5910 0.6689 0.6689 1.7306 1.7306 4.4953 4.4953 5.5744 5.5744 11.2123 11.2123 18.3299 18.3299 22.6005 22.6005 22.7955 22.7955 23.6443 23.6443 25.1634 25.1634 25.9880 25.9880 27.3695 27.3695 k = 0.0139-0.0074 0.0072 ( 769 PWs) bands (ev): -23.6818 -23.6818 -15.2588 -15.2588 -4.5935 -4.5935 0.6760 0.6760 1.7378 1.7378 4.4974 4.4974 5.5790 5.5790 11.2153 11.2153 18.3156 18.3156 22.5936 22.5936 22.8058 22.8058 23.6505 23.6505 25.1672 25.1672 25.9860 25.9860 27.3527 27.3527 k = 0.0069-0.0037 0.0036 ( 768 PWs) bands (ev): -23.6827 -23.6827 -15.2593 -15.2593 -4.5949 -4.5949 0.6803 0.6803 1.7422 1.7422 4.4986 4.4986 5.5818 5.5818 11.2170 11.2170 18.3070 18.3070 22.5894 22.5894 22.8120 22.8120 23.6541 23.6541 25.1696 25.1696 25.9847 25.9847 27.3426 27.3426 k = 0.0000 0.0000 0.0000 ( 771 PWs) bands (ev): -23.6831 -23.6831 -15.2595 -15.2595 -4.5954 -4.5954 0.6817 0.6817 1.7436 1.7436 4.4990 4.4990 5.5828 5.5828 11.2176 11.2176 18.3041 18.3041 22.5880 22.5880 22.8140 22.8140 23.6554 23.6554 25.1704 25.1704 25.9843 25.9843 27.3392 27.3392 Writing output data file Y.save init_run : 0.22s CPU 0.92s WALL ( 1 calls) electrons : 45.75s CPU 52.60s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.30s WALL ( 1 calls) potinit : 0.01s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 45.74s CPU 52.59s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 544 calls) cegterg : 40.27s CPU 41.28s WALL ( 575 calls) Called by sum_band: Called by *egterg: h_psi : 18.26s CPU 19.46s WALL ( 7526 calls) s_psi : 1.17s CPU 1.19s WALL ( 7526 calls) g_psi : 0.02s CPU 0.03s WALL ( 6407 calls) cdiaghg : 22.02s CPU 22.02s WALL ( 6951 calls) cegterg:over : 1.26s CPU 1.34s WALL ( 6407 calls) cegterg:upda : 0.90s CPU 0.85s WALL ( 6407 calls) cegterg:last : 0.48s CPU 0.56s WALL ( 1660 calls) cdiaghg:chol : 1.17s CPU 1.11s WALL ( 6951 calls) cdiaghg:inve : 0.50s CPU 0.52s WALL ( 6951 calls) cdiaghg:para : 1.27s CPU 1.31s WALL ( 13902 calls) Called by h_psi: h_psi:vloc : 15.60s CPU 16.67s WALL ( 7526 calls) h_psi:vnl : 2.64s CPU 2.76s WALL ( 7526 calls) add_vuspsi : 1.59s CPU 1.64s WALL ( 7526 calls) General routines calbec : 1.04s CPU 1.11s WALL ( 7526 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.69s CPU 15.70s WALL ( 606088 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.63s WALL ( 1088 calls) Parallel routines fft_scatter : 9.33s CPU 9.90s WALL ( 606111 calls) PWSCF : 0m56.10s CPU 1m55.88s WALL This run was terminated on: 21:21:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=