Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:34:19 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: ./LiN3.save/ 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 30 30 8 1172 1172 176 Max 31 31 9 1177 1177 183 Sum 1087 1087 313 42261 42261 6479 bravais-lattice index = 14 lattice parameter (alat) = 6.1727 a.u. unit-cell volume = 299.3992 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.172703 celldm(2)= 1.000000 celldm(3)= 1.524283 celldm(4)= 0.257573 celldm(5)= 0.257573 celldm(6)= 0.483784 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.483784 0.875187 0.000000 ) a(3) = ( 0.392615 0.231578 1.454532 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.552778 -0.181917 ) b(2) = ( 0.000000 1.142612 -0.181917 ) b(3) = ( 0.000000 0.000000 0.687506 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) N 5.00 14.00670 N( 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= 465 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 2) = ( 0.0084746 0.0049986 -0.0030833), wk = 0.0021505 k( 3) = ( 0.0169491 0.0099972 -0.0061667), wk = 0.0021505 k( 4) = ( 0.0254237 0.0149958 -0.0092500), wk = 0.0021505 k( 5) = ( 0.0338983 0.0199944 -0.0123333), wk = 0.0021505 k( 6) = ( 0.0423729 0.0249930 -0.0154167), wk = 0.0021505 k( 7) = ( 0.0508475 0.0299916 -0.0185000), wk = 0.0021505 k( 8) = ( 0.0593220 0.0349902 -0.0215833), wk = 0.0021505 k( 9) = ( 0.0677966 0.0399888 -0.0246667), wk = 0.0021505 k( 10) = ( 0.0762712 0.0449874 -0.0277500), wk = 0.0021505 k( 11) = ( 0.0847458 0.0499860 -0.0308333), wk = 0.0021505 k( 12) = ( 0.0932203 0.0549846 -0.0339167), wk = 0.0021505 k( 13) = ( 0.1016949 0.0599832 -0.0370000), wk = 0.0021505 k( 14) = ( 0.1101695 0.0649818 -0.0400833), wk = 0.0021505 k( 15) = ( 0.1186441 0.0699804 -0.0431667), wk = 0.0021505 k( 16) = ( 0.1271186 0.0749790 -0.0462500), wk = 0.0021505 k( 17) = ( 0.1355932 0.0799776 -0.0493333), wk = 0.0021505 k( 18) = ( 0.1440678 0.0849762 -0.0524166), wk = 0.0021505 k( 19) = ( 0.1525424 0.0899748 -0.0555000), wk = 0.0021505 k( 20) = ( 0.1610169 0.0949734 -0.0585833), wk = 0.0021505 k( 21) = ( 0.1694915 0.0999720 -0.0616666), wk = 0.0021505 k( 22) = ( 0.1779661 0.1049706 -0.0647500), wk = 0.0021505 k( 23) = ( 0.1864407 0.1099692 -0.0678333), wk = 0.0021505 k( 24) = ( 0.1949153 0.1149678 -0.0709166), wk = 0.0021505 k( 25) = ( 0.2033898 0.1199664 -0.0740000), wk = 0.0021505 k( 26) = ( 0.2118644 0.1249650 -0.0770833), wk = 0.0021505 k( 27) = ( 0.2203390 0.1299636 -0.0801666), wk = 0.0021505 k( 28) = ( 0.2288136 0.1349622 -0.0832500), wk = 0.0021505 k( 29) = ( 0.2372881 0.1399608 -0.0863333), wk = 0.0021505 k( 30) = ( 0.2457627 0.1449594 -0.0894166), wk = 0.0021505 k( 31) = ( 0.2542373 0.1499580 -0.0925000), wk = 0.0021505 k( 32) = ( 0.2627119 0.1549566 -0.0955833), wk = 0.0021505 k( 33) = ( 0.2711864 0.1599552 -0.0986666), wk = 0.0021505 k( 34) = ( 0.2796610 0.1649538 -0.1017500), wk = 0.0021505 k( 35) = ( 0.2881356 0.1699524 -0.1048333), wk = 0.0021505 k( 36) = ( 0.2966102 0.1749510 -0.1079166), wk = 0.0021505 k( 37) = ( 0.3050848 0.1799496 -0.1110000), wk = 0.0021505 k( 38) = ( 0.3135593 0.1849482 -0.1140833), wk = 0.0021505 k( 39) = ( 0.3220339 0.1899468 -0.1171666), wk = 0.0021505 k( 40) = ( 0.3305085 0.1949454 -0.1202499), wk = 0.0021505 k( 41) = ( 0.3389831 0.1999440 -0.1233333), wk = 0.0021505 k( 42) = ( 0.3474576 0.2049426 -0.1264166), wk = 0.0021505 k( 43) = ( 0.3559322 0.2099412 -0.1294999), wk = 0.0021505 k( 44) = ( 0.3644068 0.2149398 -0.1325833), wk = 0.0021505 k( 45) = ( 0.3728814 0.2199384 -0.1356666), wk = 0.0021505 k( 46) = ( 0.3813559 0.2249370 -0.1387499), wk = 0.0021505 k( 47) = ( 0.3898305 0.2299356 -0.1418333), wk = 0.0021505 k( 48) = ( 0.3983051 0.2349342 -0.1449166), wk = 0.0021505 k( 49) = ( 0.4067797 0.2399328 -0.1479999), wk = 0.0021505 k( 50) = ( 0.4152542 0.2449314 -0.1510833), wk = 0.0021505 k( 51) = ( 0.4237288 0.2499300 -0.1541666), wk = 0.0021505 k( 52) = ( 0.4322034 0.2549286 -0.1572499), wk = 0.0021505 k( 53) = ( 0.4406780 0.2599272 -0.1603333), wk = 0.0021505 k( 54) = ( 0.4491525 0.2649258 -0.1634166), wk = 0.0021505 k( 55) = ( 0.4576271 0.2699244 -0.1664999), wk = 0.0021505 k( 56) = ( 0.4661017 0.2749230 -0.1695833), wk = 0.0021505 k( 57) = ( 0.4745763 0.2799216 -0.1726666), wk = 0.0021505 k( 58) = ( 0.4830508 0.2849202 -0.1757499), wk = 0.0021505 k( 59) = ( 0.4915254 0.2899188 -0.1788333), wk = 0.0021505 k( 60) = ( 0.5000000 0.2949174 -0.1819166), wk = 0.0021505 k( 61) = ( 0.5000000 0.2949174 -0.1819166), wk = 0.0021505 k( 62) = ( 0.5025696 0.2964330 -0.1723968), wk = 0.0021505 k( 63) = ( 0.5051393 0.2979487 -0.1628770), wk = 0.0021505 k( 64) = ( 0.5077089 0.2994643 -0.1533572), wk = 0.0021505 k( 65) = ( 0.5102785 0.3009800 -0.1438374), wk = 0.0021505 k( 66) = ( 0.5128481 0.3024956 -0.1343176), wk = 0.0021505 k( 67) = ( 0.5154178 0.3040113 -0.1247978), wk = 0.0021505 k( 68) = ( 0.5179874 0.3055270 -0.1152780), wk = 0.0021505 k( 69) = ( 0.5205570 0.3070426 -0.1057582), wk = 0.0021505 k( 70) = ( 0.5231267 0.3085583 -0.0962384), wk = 0.0021505 k( 71) = ( 0.5256963 0.3100739 -0.0867186), wk = 0.0021505 k( 72) = ( 0.5282659 0.3115896 -0.0771988), wk = 0.0021505 k( 73) = ( 0.5308356 0.3131053 -0.0676790), wk = 0.0021505 k( 74) = ( 0.5334052 0.3146209 -0.0581592), wk = 0.0021505 k( 75) = ( 0.5359748 0.3161366 -0.0486394), wk = 0.0021505 k( 76) = ( 0.5385445 0.3176522 -0.0391196), wk = 0.0021505 k( 77) = ( 0.5411141 0.3191679 -0.0295998), wk = 0.0021505 k( 78) = ( 0.5436837 0.3206835 -0.0200800), wk = 0.0021505 k( 79) = ( 0.5436837 0.3206835 -0.0200800), wk = 0.0021505 k( 80) = ( 0.5413846 0.3193274 -0.0105055), wk = 0.0021505 k( 81) = ( 0.5390854 0.3179713 -0.0009309), wk = 0.0021505 k( 82) = ( 0.5367863 0.3166152 0.0086436), wk = 0.0021505 k( 83) = ( 0.5344872 0.3152591 0.0182182), wk = 0.0021505 k( 84) = ( 0.5321880 0.3139030 0.0277927), wk = 0.0021505 k( 85) = ( 0.5298889 0.3125469 0.0373673), wk = 0.0021505 k( 86) = ( 0.5275897 0.3111907 0.0469419), wk = 0.0021505 k( 87) = ( 0.5252906 0.3098346 0.0565164), wk = 0.0021505 k( 88) = ( 0.5229914 0.3084785 0.0660910), wk = 0.0021505 k( 89) = ( 0.5206923 0.3071224 0.0756655), wk = 0.0021505 k( 90) = ( 0.5183931 0.3057663 0.0852401), wk = 0.0021505 k( 91) = ( 0.5160940 0.3044102 0.0948146), wk = 0.0021505 k( 92) = ( 0.5137949 0.3030541 0.1043892), wk = 0.0021505 k( 93) = ( 0.5114957 0.3016979 0.1139638), wk = 0.0021505 k( 94) = ( 0.5091966 0.3003418 0.1235383), wk = 0.0021505 k( 95) = ( 0.5068974 0.2989857 0.1331129), wk = 0.0021505 k( 96) = ( 0.5045983 0.2976296 0.1426874), wk = 0.0021505 k( 97) = ( 0.5022991 0.2962735 0.1522620), wk = 0.0021505 k( 98) = ( 0.5000000 0.2949174 0.1618365), wk = 0.0021505 k( 99) = ( 0.5000000 0.2949174 0.1618365), wk = 0.0021505 k( 100) = ( 0.5051879 0.2861219 0.1618365), wk = 0.0021505 k( 101) = ( 0.5103757 0.2773264 0.1618365), wk = 0.0021505 k( 102) = ( 0.5155636 0.2685310 0.1618365), wk = 0.0021505 k( 103) = ( 0.5207515 0.2597355 0.1618365), wk = 0.0021505 k( 104) = ( 0.5259393 0.2509401 0.1618365), wk = 0.0021505 k( 105) = ( 0.5311272 0.2421446 0.1618365), wk = 0.0021505 k( 106) = ( 0.5363151 0.2333491 0.1618365), wk = 0.0021505 k( 107) = ( 0.5415030 0.2245537 0.1618365), wk = 0.0021505 k( 108) = ( 0.5466908 0.2157582 0.1618365), wk = 0.0021505 k( 109) = ( 0.5518787 0.2069627 0.1618365), wk = 0.0021505 k( 110) = ( 0.5570666 0.1981673 0.1618365), wk = 0.0021505 k( 111) = ( 0.5622544 0.1893718 0.1618365), wk = 0.0021505 k( 112) = ( 0.5674423 0.1805764 0.1618365), wk = 0.0021505 k( 113) = ( 0.5726302 0.1717809 0.1618365), wk = 0.0021505 k( 114) = ( 0.5778180 0.1629854 0.1618365), wk = 0.0021505 k( 115) = ( 0.5830059 0.1541900 0.1618365), wk = 0.0021505 k( 116) = ( 0.5881938 0.1453945 0.1618365), wk = 0.0021505 k( 117) = ( 0.5933816 0.1365991 0.1618365), wk = 0.0021505 k( 118) = ( 0.5985695 0.1278036 0.1618365), wk = 0.0021505 k( 119) = ( 0.6037574 0.1190081 0.1618365), wk = 0.0021505 k( 120) = ( 0.6089452 0.1102127 0.1618365), wk = 0.0021505 k( 121) = ( 0.6141331 0.1014172 0.1618365), wk = 0.0021505 k( 122) = ( 0.6193210 0.0926217 0.1618365), wk = 0.0021505 k( 123) = ( 0.6245089 0.0838263 0.1618365), wk = 0.0021505 k( 124) = ( 0.6296967 0.0750308 0.1618365), wk = 0.0021505 k( 125) = ( 0.6348846 0.0662354 0.1618365), wk = 0.0021505 k( 126) = ( 0.6400725 0.0574399 0.1618365), wk = 0.0021505 k( 127) = ( 0.6452603 0.0486444 0.1618365), wk = 0.0021505 k( 128) = ( 0.6504482 0.0398490 0.1618365), wk = 0.0021505 k( 129) = ( 0.6556361 0.0310535 0.1618365), wk = 0.0021505 k( 130) = ( 0.6608239 0.0222581 0.1618365), wk = 0.0021505 k( 131) = ( 0.6660118 0.0134626 0.1618365), wk = 0.0021505 k( 132) = ( 0.6711997 0.0046671 0.1618365), wk = 0.0021505 k( 133) = ( 0.6763875 -0.0041283 0.1618365), wk = 0.0021505 k( 134) = ( 0.6815754 -0.0129238 0.1618365), wk = 0.0021505 k( 135) = ( 0.6867633 -0.0217193 0.1618365), wk = 0.0021505 k( 136) = ( 0.3132367 -0.5310585 0.3437531), wk = 0.0021505 k( 137) = ( 0.3080161 -0.5222075 0.3437531), wk = 0.0021505 k( 138) = ( 0.3027955 -0.5133565 0.3437531), wk = 0.0021505 k( 139) = ( 0.2975749 -0.5045056 0.3437531), wk = 0.0021505 k( 140) = ( 0.2923543 -0.4956546 0.3437531), wk = 0.0021505 k( 141) = ( 0.2871337 -0.4868036 0.3437531), wk = 0.0021505 k( 142) = ( 0.2819131 -0.4779526 0.3437531), wk = 0.0021505 k( 143) = ( 0.2766924 -0.4691017 0.3437531), wk = 0.0021505 k( 144) = ( 0.2714718 -0.4602507 0.3437531), wk = 0.0021505 k( 145) = ( 0.2662512 -0.4513997 0.3437531), wk = 0.0021505 k( 146) = ( 0.2610306 -0.4425487 0.3437531), wk = 0.0021505 k( 147) = ( 0.2558100 -0.4336978 0.3437531), wk = 0.0021505 k( 148) = ( 0.2505894 -0.4248468 0.3437531), wk = 0.0021505 k( 149) = ( 0.2453688 -0.4159958 0.3437531), wk = 0.0021505 k( 150) = ( 0.2401482 -0.4071448 0.3437531), wk = 0.0021505 k( 151) = ( 0.2349276 -0.3982939 0.3437531), wk = 0.0021505 k( 152) = ( 0.2297069 -0.3894429 0.3437531), wk = 0.0021505 k( 153) = ( 0.2244863 -0.3805919 0.3437531), wk = 0.0021505 k( 154) = ( 0.2192657 -0.3717409 0.3437531), wk = 0.0021505 k( 155) = ( 0.2140451 -0.3628900 0.3437531), wk = 0.0021505 k( 156) = ( 0.2088245 -0.3540390 0.3437531), wk = 0.0021505 k( 157) = ( 0.2036039 -0.3451880 0.3437531), wk = 0.0021505 k( 158) = ( 0.1983833 -0.3363370 0.3437531), wk = 0.0021505 k( 159) = ( 0.1931626 -0.3274861 0.3437531), wk = 0.0021505 k( 160) = ( 0.1879420 -0.3186351 0.3437531), wk = 0.0021505 k( 161) = ( 0.1827214 -0.3097841 0.3437531), wk = 0.0021505 k( 162) = ( 0.1775008 -0.3009331 0.3437531), wk = 0.0021505 k( 163) = ( 0.1722802 -0.2920822 0.3437531), wk = 0.0021505 k( 164) = ( 0.1670596 -0.2832312 0.3437531), wk = 0.0021505 k( 165) = ( 0.1618390 -0.2743802 0.3437531), wk = 0.0021505 k( 166) = ( 0.1566184 -0.2655292 0.3437531), wk = 0.0021505 k( 167) = ( 0.1513977 -0.2566783 0.3437531), wk = 0.0021505 k( 168) = ( 0.1461771 -0.2478273 0.3437531), wk = 0.0021505 k( 169) = ( 0.1409565 -0.2389763 0.3437531), wk = 0.0021505 k( 170) = ( 0.1357359 -0.2301253 0.3437531), wk = 0.0021505 k( 171) = ( 0.1305153 -0.2212744 0.3437531), wk = 0.0021505 k( 172) = ( 0.1252947 -0.2124234 0.3437531), wk = 0.0021505 k( 173) = ( 0.1200741 -0.2035724 0.3437531), wk = 0.0021505 k( 174) = ( 0.1148535 -0.1947214 0.3437531), wk = 0.0021505 k( 175) = ( 0.1096329 -0.1858705 0.3437531), wk = 0.0021505 k( 176) = ( 0.1044122 -0.1770195 0.3437531), wk = 0.0021505 k( 177) = ( 0.0991916 -0.1681685 0.3437531), wk = 0.0021505 k( 178) = ( 0.0939710 -0.1593175 0.3437531), wk = 0.0021505 k( 179) = ( 0.0887504 -0.1504666 0.3437531), wk = 0.0021505 k( 180) = ( 0.0835298 -0.1416156 0.3437531), wk = 0.0021505 k( 181) = ( 0.0783092 -0.1327646 0.3437531), wk = 0.0021505 k( 182) = ( 0.0730886 -0.1239136 0.3437531), wk = 0.0021505 k( 183) = ( 0.0678680 -0.1150627 0.3437531), wk = 0.0021505 k( 184) = ( 0.0626474 -0.1062117 0.3437531), wk = 0.0021505 k( 185) = ( 0.0574267 -0.0973607 0.3437531), wk = 0.0021505 k( 186) = ( 0.0522061 -0.0885097 0.3437531), wk = 0.0021505 k( 187) = ( 0.0469855 -0.0796588 0.3437531), wk = 0.0021505 k( 188) = ( 0.0417649 -0.0708078 0.3437531), wk = 0.0021505 k( 189) = ( 0.0365443 -0.0619568 0.3437531), wk = 0.0021505 k( 190) = ( 0.0313237 -0.0531058 0.3437531), wk = 0.0021505 k( 191) = ( 0.0261031 -0.0442549 0.3437531), wk = 0.0021505 k( 192) = ( 0.0208825 -0.0354039 0.3437531), wk = 0.0021505 k( 193) = ( 0.0156618 -0.0265529 0.3437531), wk = 0.0021505 k( 194) = ( 0.0104412 -0.0177019 0.3437531), wk = 0.0021505 k( 195) = ( 0.0052206 -0.0088510 0.3437531), wk = 0.0021505 k( 196) = ( 0.0000000 0.0000000 0.3437531), wk = 0.0021505 k( 197) = ( 0.0000000 0.0000000 0.3437531), wk = 0.0021505 k( 198) = ( 0.0089474 0.0052775 0.3437531), wk = 0.0021505 k( 199) = ( 0.0178948 0.0105550 0.3437531), wk = 0.0021505 k( 200) = ( 0.0268421 0.0158324 0.3437531), wk = 0.0021505 k( 201) = ( 0.0357895 0.0211099 0.3437531), wk = 0.0021505 k( 202) = ( 0.0447369 0.0263874 0.3437531), wk = 0.0021505 k( 203) = ( 0.0536843 0.0316648 0.3437531), wk = 0.0021505 k( 204) = ( 0.0626316 0.0369423 0.3437531), wk = 0.0021505 k( 205) = ( 0.0715790 0.0422198 0.3437531), wk = 0.0021505 k( 206) = ( 0.0805264 0.0474973 0.3437531), wk = 0.0021505 k( 207) = ( 0.0894738 0.0527747 0.3437531), wk = 0.0021505 k( 208) = ( 0.0984212 0.0580522 0.3437531), wk = 0.0021505 k( 209) = ( 0.1073685 0.0633297 0.3437531), wk = 0.0021505 k( 210) = ( 0.1163159 0.0686072 0.3437531), wk = 0.0021505 k( 211) = ( 0.1252633 0.0738846 0.3437531), wk = 0.0021505 k( 212) = ( 0.1342107 0.0791621 0.3437531), wk = 0.0021505 k( 213) = ( 0.1431581 0.0844396 0.3437531), wk = 0.0021505 k( 214) = ( 0.1521054 0.0897171 0.3437531), wk = 0.0021505 k( 215) = ( 0.1610528 0.0949945 0.3437531), wk = 0.0021505 k( 216) = ( 0.1700002 0.1002720 0.3437531), wk = 0.0021505 k( 217) = ( 0.1789476 0.1055495 0.3437531), wk = 0.0021505 k( 218) = ( 0.1878949 0.1108270 0.3437531), wk = 0.0021505 k( 219) = ( 0.1968423 0.1161044 0.3437531), wk = 0.0021505 k( 220) = ( 0.2057897 0.1213819 0.3437531), wk = 0.0021505 k( 221) = ( 0.2147371 0.1266594 0.3437531), wk = 0.0021505 k( 222) = ( 0.2236845 0.1319369 0.3437531), wk = 0.0021505 k( 223) = ( 0.2326318 0.1372143 0.3437531), wk = 0.0021505 k( 224) = ( 0.2415792 0.1424918 0.3437531), wk = 0.0021505 k( 225) = ( 0.2505266 0.1477693 0.3437531), wk = 0.0021505 k( 226) = ( 0.2594740 0.1530468 0.3437531), wk = 0.0021505 k( 227) = ( 0.2684213 0.1583242 0.3437531), wk = 0.0021505 k( 228) = ( 0.2773687 0.1636017 0.3437531), wk = 0.0021505 k( 229) = ( 0.2863161 0.1688792 0.3437531), wk = 0.0021505 k( 230) = ( 0.2952635 0.1741566 0.3437531), wk = 0.0021505 k( 231) = ( 0.3042108 0.1794341 0.3437531), wk = 0.0021505 k( 232) = ( 0.3131582 0.1847116 0.3437531), wk = 0.0021505 k( 233) = ( 0.3221056 0.1899891 0.3437531), wk = 0.0021505 k( 234) = ( 0.3310530 0.1952665 0.3437531), wk = 0.0021505 k( 235) = ( 0.3400004 0.2005440 0.3437531), wk = 0.0021505 k( 236) = ( 0.3489477 0.2058215 0.3437531), wk = 0.0021505 k( 237) = ( 0.3578951 0.2110990 0.3437531), wk = 0.0021505 k( 238) = ( 0.3668425 0.2163764 0.3437531), wk = 0.0021505 k( 239) = ( 0.3757899 0.2216539 0.3437531), wk = 0.0021505 k( 240) = ( 0.3847372 0.2269314 0.3437531), wk = 0.0021505 k( 241) = ( 0.3936846 0.2322089 0.3437531), wk = 0.0021505 k( 242) = ( 0.4026320 0.2374863 0.3437531), wk = 0.0021505 k( 243) = ( 0.4115794 0.2427638 0.3437531), wk = 0.0021505 k( 244) = ( 0.4205268 0.2480413 0.3437531), wk = 0.0021505 k( 245) = ( 0.4294741 0.2533188 0.3437531), wk = 0.0021505 k( 246) = ( 0.4384215 0.2585962 0.3437531), wk = 0.0021505 k( 247) = ( 0.4473689 0.2638737 0.3437531), wk = 0.0021505 k( 248) = ( 0.4563163 0.2691512 0.3437531), wk = 0.0021505 k( 249) = ( 0.5000000 0.2949174 -0.1819166), wk = 0.0021505 k( 250) = ( 0.5051494 0.2861871 -0.1819166), wk = 0.0021505 k( 251) = ( 0.5102988 0.2774569 -0.1819166), wk = 0.0021505 k( 252) = ( 0.5154482 0.2687266 -0.1819166), wk = 0.0021505 k( 253) = ( 0.5205976 0.2599964 -0.1819166), wk = 0.0021505 k( 254) = ( 0.5257470 0.2512662 -0.1819166), wk = 0.0021505 k( 255) = ( 0.5308964 0.2425359 -0.1819166), wk = 0.0021505 k( 256) = ( 0.5360458 0.2338057 -0.1819166), wk = 0.0021505 k( 257) = ( 0.5411952 0.2250754 -0.1819166), wk = 0.0021505 k( 258) = ( 0.5463446 0.2163452 -0.1819166), wk = 0.0021505 k( 259) = ( 0.5514940 0.2076149 -0.1819166), wk = 0.0021505 k( 260) = ( 0.5566434 0.1988847 -0.1819166), wk = 0.0021505 k( 261) = ( 0.5617928 0.1901544 -0.1819166), wk = 0.0021505 k( 262) = ( 0.5669422 0.1814242 -0.1819166), wk = 0.0021505 k( 263) = ( 0.5720916 0.1726940 -0.1819166), wk = 0.0021505 k( 264) = ( 0.5772410 0.1639637 -0.1819166), wk = 0.0021505 k( 265) = ( 0.5823904 0.1552335 -0.1819166), wk = 0.0021505 k( 266) = ( 0.5875398 0.1465032 -0.1819166), wk = 0.0021505 k( 267) = ( 0.5926892 0.1377730 -0.1819166), wk = 0.0021505 k( 268) = ( 0.5978386 0.1290427 -0.1819166), wk = 0.0021505 k( 269) = ( 0.6029880 0.1203125 -0.1819166), wk = 0.0021505 k( 270) = ( 0.6081374 0.1115823 -0.1819166), wk = 0.0021505 k( 271) = ( 0.6132868 0.1028520 -0.1819166), wk = 0.0021505 k( 272) = ( 0.6184362 0.0941218 -0.1819166), wk = 0.0021505 k( 273) = ( 0.6235856 0.0853915 -0.1819166), wk = 0.0021505 k( 274) = ( 0.6287350 0.0766613 -0.1819166), wk = 0.0021505 k( 275) = ( 0.6338844 0.0679310 -0.1819166), wk = 0.0021505 k( 276) = ( 0.6390338 0.0592008 -0.1819166), wk = 0.0021505 k( 277) = ( 0.6441832 0.0504706 -0.1819166), wk = 0.0021505 k( 278) = ( 0.6493326 0.0417403 -0.1819166), wk = 0.0021505 k( 279) = ( 0.6544820 0.0330101 -0.1819166), wk = 0.0021505 k( 280) = ( 0.3455180 -0.5857878 0.0000000), wk = 0.0021505 k( 281) = ( 0.3402829 -0.5769122 0.0000000), wk = 0.0021505 k( 282) = ( 0.3350477 -0.5680366 0.0000000), wk = 0.0021505 k( 283) = ( 0.3298126 -0.5591611 0.0000000), wk = 0.0021505 k( 284) = ( 0.3245775 -0.5502855 0.0000000), wk = 0.0021505 k( 285) = ( 0.3193424 -0.5414099 0.0000000), wk = 0.0021505 k( 286) = ( 0.3141073 -0.5325344 0.0000000), wk = 0.0021505 k( 287) = ( 0.3088721 -0.5236588 0.0000000), wk = 0.0021505 k( 288) = ( 0.3036370 -0.5147832 0.0000000), wk = 0.0021505 k( 289) = ( 0.2984019 -0.5059077 0.0000000), wk = 0.0021505 k( 290) = ( 0.2931668 -0.4970321 0.0000000), wk = 0.0021505 k( 291) = ( 0.2879316 -0.4881565 0.0000000), wk = 0.0021505 k( 292) = ( 0.2826965 -0.4792809 0.0000000), wk = 0.0021505 k( 293) = ( 0.2774614 -0.4704053 0.0000000), wk = 0.0021505 k( 294) = ( 0.2722263 -0.4615298 0.0000000), wk = 0.0021505 k( 295) = ( 0.2669912 -0.4526542 0.0000000), wk = 0.0021505 k( 296) = ( 0.2617561 -0.4437786 0.0000000), wk = 0.0021505 k( 297) = ( 0.2565209 -0.4349031 0.0000000), wk = 0.0021505 k( 298) = ( 0.2512858 -0.4260275 0.0000000), wk = 0.0021505 k( 299) = ( 0.2460507 -0.4171519 0.0000000), wk = 0.0021505 k( 300) = ( 0.2408156 -0.4082763 0.0000000), wk = 0.0021505 k( 301) = ( 0.2355804 -0.3994008 0.0000000), wk = 0.0021505 k( 302) = ( 0.2303453 -0.3905252 0.0000000), wk = 0.0021505 k( 303) = ( 0.2251102 -0.3816496 0.0000000), wk = 0.0021505 k( 304) = ( 0.2198751 -0.3727741 0.0000000), wk = 0.0021505 k( 305) = ( 0.2146400 -0.3638985 0.0000000), wk = 0.0021505 k( 306) = ( 0.2094048 -0.3550229 0.0000000), wk = 0.0021505 k( 307) = ( 0.2041697 -0.3461473 0.0000000), wk = 0.0021505 k( 308) = ( 0.1989346 -0.3372718 0.0000000), wk = 0.0021505 k( 309) = ( 0.1936995 -0.3283962 0.0000000), wk = 0.0021505 k( 310) = ( 0.1884644 -0.3195206 0.0000000), wk = 0.0021505 k( 311) = ( 0.1832292 -0.3106450 0.0000000), wk = 0.0021505 k( 312) = ( 0.1779941 -0.3017695 0.0000000), wk = 0.0021505 k( 313) = ( 0.1727590 -0.2928939 0.0000000), wk = 0.0021505 k( 314) = ( 0.1675239 -0.2840183 0.0000000), wk = 0.0021505 k( 315) = ( 0.1622888 -0.2751428 0.0000000), wk = 0.0021505 k( 316) = ( 0.1570536 -0.2662672 0.0000000), wk = 0.0021505 k( 317) = ( 0.1518185 -0.2573916 0.0000000), wk = 0.0021505 k( 318) = ( 0.1465834 -0.2485160 0.0000000), wk = 0.0021505 k( 319) = ( 0.1413483 -0.2396405 0.0000000), wk = 0.0021505 k( 320) = ( 0.1361131 -0.2307649 0.0000000), wk = 0.0021505 k( 321) = ( 0.1308780 -0.2218893 0.0000000), wk = 0.0021505 k( 322) = ( 0.1256429 -0.2130137 0.0000000), wk = 0.0021505 k( 323) = ( 0.1204078 -0.2041382 0.0000000), wk = 0.0021505 k( 324) = ( 0.1151727 -0.1952626 0.0000000), wk = 0.0021505 k( 325) = ( 0.1099375 -0.1863870 0.0000000), wk = 0.0021505 k( 326) = ( 0.1047024 -0.1775115 0.0000000), wk = 0.0021505 k( 327) = ( 0.0994673 -0.1686359 0.0000000), wk = 0.0021505 k( 328) = ( 0.0942322 -0.1597603 0.0000000), wk = 0.0021505 k( 329) = ( 0.0889971 -0.1508847 0.0000000), wk = 0.0021505 k( 330) = ( 0.0837619 -0.1420092 0.0000000), wk = 0.0021505 k( 331) = ( 0.0785268 -0.1331336 0.0000000), wk = 0.0021505 k( 332) = ( 0.0732917 -0.1242580 0.0000000), wk = 0.0021505 k( 333) = ( 0.0680566 -0.1153824 0.0000000), wk = 0.0021505 k( 334) = ( 0.0628215 -0.1065069 0.0000000), wk = 0.0021505 k( 335) = ( 0.0575863 -0.0976313 0.0000000), wk = 0.0021505 k( 336) = ( 0.0523512 -0.0887557 0.0000000), wk = 0.0021505 k( 337) = ( 0.0471161 -0.0798802 0.0000000), wk = 0.0021505 k( 338) = ( 0.0418810 -0.0710046 0.0000000), wk = 0.0021505 k( 339) = ( 0.0366459 -0.0621290 0.0000000), wk = 0.0021505 k( 340) = ( 0.0314107 -0.0532534 0.0000000), wk = 0.0021505 k( 341) = ( 0.0261756 -0.0443779 0.0000000), wk = 0.0021505 k( 342) = ( 0.0209405 -0.0355023 0.0000000), wk = 0.0021505 k( 343) = ( 0.0157054 -0.0266267 0.0000000), wk = 0.0021505 k( 344) = ( 0.0104702 -0.0177511 0.0000000), wk = 0.0021505 k( 345) = ( 0.0052351 -0.0088756 0.0000000), wk = 0.0021505 k( 346) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 347) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 348) = ( 0.0089286 -0.0049355 -0.0016243), wk = 0.0021505 k( 349) = ( 0.0178571 -0.0098710 -0.0032485), wk = 0.0021505 k( 350) = ( 0.0267857 -0.0148065 -0.0048728), wk = 0.0021505 k( 351) = ( 0.0357143 -0.0197421 -0.0064970), wk = 0.0021505 k( 352) = ( 0.0446429 -0.0246776 -0.0081213), wk = 0.0021505 k( 353) = ( 0.0535714 -0.0296131 -0.0097455), wk = 0.0021505 k( 354) = ( 0.0625000 -0.0345486 -0.0113698), wk = 0.0021505 k( 355) = ( 0.0714286 -0.0394841 -0.0129940), wk = 0.0021505 k( 356) = ( 0.0803571 -0.0444196 -0.0146183), wk = 0.0021505 k( 357) = ( 0.0892857 -0.0493552 -0.0162426), wk = 0.0021505 k( 358) = ( 0.0982143 -0.0542907 -0.0178668), wk = 0.0021505 k( 359) = ( 0.1071429 -0.0592262 -0.0194911), wk = 0.0021505 k( 360) = ( 0.1160714 -0.0641617 -0.0211153), wk = 0.0021505 k( 361) = ( 0.1250000 -0.0690972 -0.0227396), wk = 0.0021505 k( 362) = ( 0.1339286 -0.0740327 -0.0243638), wk = 0.0021505 k( 363) = ( 0.1428571 -0.0789682 -0.0259881), wk = 0.0021505 k( 364) = ( 0.1517857 -0.0839038 -0.0276123), wk = 0.0021505 k( 365) = ( 0.1607143 -0.0888393 -0.0292366), wk = 0.0021505 k( 366) = ( 0.1696429 -0.0937748 -0.0308609), wk = 0.0021505 k( 367) = ( 0.1785714 -0.0987103 -0.0324851), wk = 0.0021505 k( 368) = ( 0.1875000 -0.1036458 -0.0341094), wk = 0.0021505 k( 369) = ( 0.1964286 -0.1085813 -0.0357336), wk = 0.0021505 k( 370) = ( 0.2053571 -0.1135169 -0.0373579), wk = 0.0021505 k( 371) = ( 0.2142857 -0.1184524 -0.0389821), wk = 0.0021505 k( 372) = ( 0.2232143 -0.1233879 -0.0406064), wk = 0.0021505 k( 373) = ( 0.2321429 -0.1283234 -0.0422306), wk = 0.0021505 k( 374) = ( 0.2410714 -0.1332589 -0.0438549), wk = 0.0021505 k( 375) = ( 0.2500000 -0.1381944 -0.0454791), wk = 0.0021505 k( 376) = ( 0.2589286 -0.1431299 -0.0471034), wk = 0.0021505 k( 377) = ( 0.2678571 -0.1480655 -0.0487277), wk = 0.0021505 k( 378) = ( 0.2767857 -0.1530010 -0.0503519), wk = 0.0021505 k( 379) = ( 0.2857143 -0.1579365 -0.0519762), wk = 0.0021505 k( 380) = ( 0.2946429 -0.1628720 -0.0536004), wk = 0.0021505 k( 381) = ( 0.3035714 -0.1678075 -0.0552247), wk = 0.0021505 k( 382) = ( 0.3125000 -0.1727430 -0.0568489), wk = 0.0021505 k( 383) = ( 0.3214286 -0.1776786 -0.0584732), wk = 0.0021505 k( 384) = ( 0.3303571 -0.1826141 -0.0600974), wk = 0.0021505 k( 385) = ( 0.3392857 -0.1875496 -0.0617217), wk = 0.0021505 k( 386) = ( 0.3482143 -0.1924851 -0.0633460), wk = 0.0021505 k( 387) = ( 0.3571429 -0.1974206 -0.0649702), wk = 0.0021505 k( 388) = ( 0.3660714 -0.2023561 -0.0665945), wk = 0.0021505 k( 389) = ( 0.3750000 -0.2072916 -0.0682187), wk = 0.0021505 k( 390) = ( 0.3839286 -0.2122272 -0.0698430), wk = 0.0021505 k( 391) = ( 0.3928571 -0.2171627 -0.0714672), wk = 0.0021505 k( 392) = ( 0.4017857 -0.2220982 -0.0730915), wk = 0.0021505 k( 393) = ( 0.4107143 -0.2270337 -0.0747157), wk = 0.0021505 k( 394) = ( 0.4196429 -0.2319692 -0.0763400), wk = 0.0021505 k( 395) = ( 0.4285714 -0.2369047 -0.0779643), wk = 0.0021505 k( 396) = ( 0.4375000 -0.2418403 -0.0795885), wk = 0.0021505 k( 397) = ( 0.4464286 -0.2467758 -0.0812128), wk = 0.0021505 k( 398) = ( 0.4553571 -0.2517113 -0.0828370), wk = 0.0021505 k( 399) = ( 0.4642857 -0.2566468 -0.0844613), wk = 0.0021505 k( 400) = ( 0.4732143 -0.2615823 -0.0860855), wk = 0.0021505 k( 401) = ( 0.4821429 -0.2665178 -0.0877098), wk = 0.0021505 k( 402) = ( 0.4910714 -0.2714533 -0.0893340), wk = 0.0021505 k( 403) = ( 0.5000000 -0.2763889 -0.0909583), wk = 0.0021505 k( 404) = ( 0.5000000 -0.2763889 0.2527948), wk = 0.0021505 k( 405) = ( 0.4918033 -0.2718579 0.2486507), wk = 0.0021505 k( 406) = ( 0.4836066 -0.2673269 0.2445065), wk = 0.0021505 k( 407) = ( 0.4754098 -0.2627960 0.2403623), wk = 0.0021505 k( 408) = ( 0.4672131 -0.2582650 0.2362181), wk = 0.0021505 k( 409) = ( 0.4590164 -0.2537340 0.2320740), wk = 0.0021505 k( 410) = ( 0.4508197 -0.2492031 0.2279298), wk = 0.0021505 k( 411) = ( 0.4426230 -0.2446721 0.2237856), wk = 0.0021505 k( 412) = ( 0.4344262 -0.2401411 0.2196414), wk = 0.0021505 k( 413) = ( 0.4262295 -0.2356102 0.2154972), wk = 0.0021505 k( 414) = ( 0.4180328 -0.2310792 0.2113531), wk = 0.0021505 k( 415) = ( 0.4098361 -0.2265483 0.2072089), wk = 0.0021505 k( 416) = ( 0.4016393 -0.2220173 0.2030647), wk = 0.0021505 k( 417) = ( 0.3934426 -0.2174863 0.1989205), wk = 0.0021505 k( 418) = ( 0.3852459 -0.2129554 0.1947764), wk = 0.0021505 k( 419) = ( 0.3770492 -0.2084244 0.1906322), wk = 0.0021505 k( 420) = ( 0.3688525 -0.2038934 0.1864880), wk = 0.0021505 k( 421) = ( 0.3606557 -0.1993625 0.1823438), wk = 0.0021505 k( 422) = ( 0.3524590 -0.1948315 0.1781996), wk = 0.0021505 k( 423) = ( 0.3442623 -0.1903005 0.1740555), wk = 0.0021505 k( 424) = ( 0.3360656 -0.1857696 0.1699113), wk = 0.0021505 k( 425) = ( 0.3278688 -0.1812386 0.1657671), wk = 0.0021505 k( 426) = ( 0.3196721 -0.1767076 0.1616229), wk = 0.0021505 k( 427) = ( 0.3114754 -0.1721767 0.1574788), wk = 0.0021505 k( 428) = ( 0.3032787 -0.1676457 0.1533346), wk = 0.0021505 k( 429) = ( 0.2950820 -0.1631147 0.1491904), wk = 0.0021505 k( 430) = ( 0.2868852 -0.1585838 0.1450462), wk = 0.0021505 k( 431) = ( 0.2786885 -0.1540528 0.1409020), wk = 0.0021505 k( 432) = ( 0.2704918 -0.1495218 0.1367579), wk = 0.0021505 k( 433) = ( 0.2622951 -0.1449909 0.1326137), wk = 0.0021505 k( 434) = ( 0.2540984 -0.1404599 0.1284695), wk = 0.0021505 k( 435) = ( 0.2459016 -0.1359289 0.1243253), wk = 0.0021505 k( 436) = ( 0.2377049 -0.1313980 0.1201812), wk = 0.0021505 k( 437) = ( 0.2295082 -0.1268670 0.1160370), wk = 0.0021505 k( 438) = ( 0.2213115 -0.1223361 0.1118928), wk = 0.0021505 k( 439) = ( 0.2131147 -0.1178051 0.1077486), wk = 0.0021505 k( 440) = ( 0.2049180 -0.1132741 0.1036044), wk = 0.0021505 k( 441) = ( 0.1967213 -0.1087432 0.0994603), wk = 0.0021505 k( 442) = ( 0.1885246 -0.1042122 0.0953161), wk = 0.0021505 k( 443) = ( 0.1803279 -0.0996812 0.0911719), wk = 0.0021505 k( 444) = ( 0.1721312 -0.0951503 0.0870277), wk = 0.0021505 k( 445) = ( 0.1639344 -0.0906193 0.0828836), wk = 0.0021505 k( 446) = ( 0.1557377 -0.0860883 0.0787394), wk = 0.0021505 k( 447) = ( 0.1475410 -0.0815574 0.0745952), wk = 0.0021505 k( 448) = ( 0.1393443 -0.0770264 0.0704510), wk = 0.0021505 k( 449) = ( 0.1311475 -0.0724954 0.0663068), wk = 0.0021505 k( 450) = ( 0.1229508 -0.0679645 0.0621627), wk = 0.0021505 k( 451) = ( 0.1147541 -0.0634335 0.0580185), wk = 0.0021505 k( 452) = ( 0.1065574 -0.0589025 0.0538743), wk = 0.0021505 k( 453) = ( 0.0983607 -0.0543716 0.0497301), wk = 0.0021505 k( 454) = ( 0.0901639 -0.0498406 0.0455860), wk = 0.0021505 k( 455) = ( 0.0819672 -0.0453096 0.0414418), wk = 0.0021505 k( 456) = ( 0.0737705 -0.0407787 0.0372976), wk = 0.0021505 k( 457) = ( 0.0655738 -0.0362477 0.0331534), wk = 0.0021505 k( 458) = ( 0.0573770 -0.0317168 0.0290092), wk = 0.0021505 k( 459) = ( 0.0491803 -0.0271858 0.0248651), wk = 0.0021505 k( 460) = ( 0.0409836 -0.0226548 0.0207209), wk = 0.0021505 k( 461) = ( 0.0327869 -0.0181239 0.0165767), wk = 0.0021505 k( 462) = ( 0.0245902 -0.0135929 0.0124325), wk = 0.0021505 k( 463) = ( 0.0163934 -0.0090619 0.0082884), wk = 0.0021505 k( 464) = ( 0.0081967 -0.0045310 0.0041442), wk = 0.0021505 k( 465) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 2) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0021505 k( 3) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0021505 k( 4) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0021505 k( 5) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0021505 k( 6) = ( 0.0423729 0.0423729 0.0000000), wk = 0.0021505 k( 7) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0021505 k( 8) = ( 0.0593220 0.0593220 0.0000000), wk = 0.0021505 k( 9) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0021505 k( 10) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0021505 k( 11) = ( 0.0847458 0.0847458 0.0000000), wk = 0.0021505 k( 12) = ( 0.0932203 0.0932203 0.0000000), wk = 0.0021505 k( 13) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0021505 k( 14) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0021505 k( 15) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0021505 k( 16) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0021505 k( 17) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0021505 k( 18) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0021505 k( 19) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0021505 k( 20) = ( 0.1610169 0.1610169 0.0000000), wk = 0.0021505 k( 21) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0021505 k( 22) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0021505 k( 23) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0021505 k( 24) = ( 0.1949153 0.1949152 -0.0000000), wk = 0.0021505 k( 25) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0021505 k( 26) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0021505 k( 27) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0021505 k( 28) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0021505 k( 29) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0021505 k( 30) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0021505 k( 31) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0021505 k( 32) = ( 0.2627119 0.2627119 -0.0000000), wk = 0.0021505 k( 33) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0021505 k( 34) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0021505 k( 35) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0021505 k( 36) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0021505 k( 37) = ( 0.3050848 0.3050847 -0.0000000), wk = 0.0021505 k( 38) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0021505 k( 39) = ( 0.3220339 0.3220339 0.0000000), wk = 0.0021505 k( 40) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0021505 k( 41) = ( 0.3389831 0.3389831 0.0000000), wk = 0.0021505 k( 42) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0021505 k( 43) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0021505 k( 44) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0021505 k( 45) = ( 0.3728814 0.3728814 0.0000000), wk = 0.0021505 k( 46) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0021505 k( 47) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0021505 k( 48) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0021505 k( 49) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0021505 k( 50) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0021505 k( 51) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0021505 k( 52) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0021505 k( 53) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0021505 k( 54) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0021505 k( 55) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0021505 k( 56) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0021505 k( 57) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0021505 k( 58) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0021505 k( 59) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0021505 k( 60) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021505 k( 61) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021505 k( 62) = ( 0.5025696 0.5025696 0.0152067), wk = 0.0021505 k( 63) = ( 0.5051393 0.5051393 0.0304134), wk = 0.0021505 k( 64) = ( 0.5077089 0.5077089 0.0456201), wk = 0.0021505 k( 65) = ( 0.5102785 0.5102785 0.0608269), wk = 0.0021505 k( 66) = ( 0.5128481 0.5128481 0.0760336), wk = 0.0021505 k( 67) = ( 0.5154178 0.5154178 0.0912403), wk = 0.0021505 k( 68) = ( 0.5179874 0.5179874 0.1064470), wk = 0.0021505 k( 69) = ( 0.5205570 0.5205570 0.1216537), wk = 0.0021505 k( 70) = ( 0.5231267 0.5231267 0.1368605), wk = 0.0021505 k( 71) = ( 0.5256963 0.5256963 0.1520672), wk = 0.0021505 k( 72) = ( 0.5282659 0.5282659 0.1672739), wk = 0.0021505 k( 73) = ( 0.5308356 0.5308356 0.1824806), wk = 0.0021505 k( 74) = ( 0.5334052 0.5334052 0.1976873), wk = 0.0021505 k( 75) = ( 0.5359748 0.5359748 0.2128940), wk = 0.0021505 k( 76) = ( 0.5385445 0.5385445 0.2281008), wk = 0.0021505 k( 77) = ( 0.5411141 0.5411141 0.2433075), wk = 0.0021505 k( 78) = ( 0.5436837 0.5436837 0.2585142), wk = 0.0021505 k( 79) = ( 0.5436837 0.5436837 0.2585142), wk = 0.0021505 k( 80) = ( 0.5413846 0.5413846 0.2712240), wk = 0.0021505 k( 81) = ( 0.5390854 0.5390854 0.2839338), wk = 0.0021505 k( 82) = ( 0.5367863 0.5367863 0.2966435), wk = 0.0021505 k( 83) = ( 0.5344872 0.5344872 0.3093533), wk = 0.0021505 k( 84) = ( 0.5321880 0.5321880 0.3220631), wk = 0.0021505 k( 85) = ( 0.5298889 0.5298889 0.3347729), wk = 0.0021505 k( 86) = ( 0.5275897 0.5275897 0.3474826), wk = 0.0021505 k( 87) = ( 0.5252906 0.5252906 0.3601924), wk = 0.0021505 k( 88) = ( 0.5229914 0.5229914 0.3729022), wk = 0.0021505 k( 89) = ( 0.5206923 0.5206923 0.3856120), wk = 0.0021505 k( 90) = ( 0.5183931 0.5183931 0.3983218), wk = 0.0021505 k( 91) = ( 0.5160940 0.5160940 0.4110315), wk = 0.0021505 k( 92) = ( 0.5137949 0.5137949 0.4237413), wk = 0.0021505 k( 93) = ( 0.5114957 0.5114957 0.4364511), wk = 0.0021505 k( 94) = ( 0.5091966 0.5091966 0.4491609), wk = 0.0021505 k( 95) = ( 0.5068974 0.5068974 0.4618707), wk = 0.0021505 k( 96) = ( 0.5045983 0.5045983 0.4745804), wk = 0.0021505 k( 97) = ( 0.5022991 0.5022991 0.4872902), wk = 0.0021505 k( 98) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021505 k( 99) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021505 k( 100) = ( 0.5051879 0.4948121 0.5000000), wk = 0.0021505 k( 101) = ( 0.5103757 0.4896243 0.5000000), wk = 0.0021505 k( 102) = ( 0.5155636 0.4844364 0.5000000), wk = 0.0021505 k( 103) = ( 0.5207515 0.4792485 0.5000000), wk = 0.0021505 k( 104) = ( 0.5259393 0.4740607 0.5000000), wk = 0.0021505 k( 105) = ( 0.5311272 0.4688728 0.5000000), wk = 0.0021505 k( 106) = ( 0.5363151 0.4636849 0.5000000), wk = 0.0021505 k( 107) = ( 0.5415030 0.4584970 0.5000000), wk = 0.0021505 k( 108) = ( 0.5466908 0.4533092 0.5000000), wk = 0.0021505 k( 109) = ( 0.5518787 0.4481213 0.5000000), wk = 0.0021505 k( 110) = ( 0.5570666 0.4429334 0.5000000), wk = 0.0021505 k( 111) = ( 0.5622544 0.4377456 0.5000000), wk = 0.0021505 k( 112) = ( 0.5674423 0.4325577 0.5000000), wk = 0.0021505 k( 113) = ( 0.5726302 0.4273698 0.5000000), wk = 0.0021505 k( 114) = ( 0.5778180 0.4221820 0.5000000), wk = 0.0021505 k( 115) = ( 0.5830059 0.4169941 0.5000000), wk = 0.0021505 k( 116) = ( 0.5881938 0.4118062 0.5000000), wk = 0.0021505 k( 117) = ( 0.5933816 0.4066184 0.5000000), wk = 0.0021505 k( 118) = ( 0.5985695 0.4014305 0.5000000), wk = 0.0021505 k( 119) = ( 0.6037574 0.3962426 0.5000000), wk = 0.0021505 k( 120) = ( 0.6089452 0.3910548 0.5000000), wk = 0.0021505 k( 121) = ( 0.6141331 0.3858669 0.5000000), wk = 0.0021505 k( 122) = ( 0.6193210 0.3806790 0.5000000), wk = 0.0021505 k( 123) = ( 0.6245089 0.3754911 0.5000000), wk = 0.0021505 k( 124) = ( 0.6296967 0.3703033 0.5000000), wk = 0.0021505 k( 125) = ( 0.6348846 0.3651154 0.5000000), wk = 0.0021505 k( 126) = ( 0.6400725 0.3599275 0.5000000), wk = 0.0021505 k( 127) = ( 0.6452603 0.3547397 0.5000000), wk = 0.0021505 k( 128) = ( 0.6504482 0.3495518 0.5000000), wk = 0.0021505 k( 129) = ( 0.6556361 0.3443639 0.5000000), wk = 0.0021505 k( 130) = ( 0.6608239 0.3391761 0.5000000), wk = 0.0021505 k( 131) = ( 0.6660118 0.3339882 0.5000000), wk = 0.0021505 k( 132) = ( 0.6711997 0.3288003 0.5000000), wk = 0.0021505 k( 133) = ( 0.6763875 0.3236125 0.5000000), wk = 0.0021505 k( 134) = ( 0.6815754 0.3184246 0.5000000), wk = 0.0021505 k( 135) = ( 0.6867633 0.3132367 0.5000000), wk = 0.0021505 k( 136) = ( 0.3132367 -0.3132367 0.5000000), wk = 0.0021505 k( 137) = ( 0.3080161 -0.3080161 0.5000000), wk = 0.0021505 k( 138) = ( 0.3027955 -0.3027955 0.5000000), wk = 0.0021505 k( 139) = ( 0.2975749 -0.2975749 0.5000000), wk = 0.0021505 k( 140) = ( 0.2923543 -0.2923543 0.5000000), wk = 0.0021505 k( 141) = ( 0.2871337 -0.2871337 0.5000000), wk = 0.0021505 k( 142) = ( 0.2819131 -0.2819131 0.5000000), wk = 0.0021505 k( 143) = ( 0.2766924 -0.2766924 0.5000000), wk = 0.0021505 k( 144) = ( 0.2714718 -0.2714718 0.5000000), wk = 0.0021505 k( 145) = ( 0.2662512 -0.2662512 0.5000000), wk = 0.0021505 k( 146) = ( 0.2610306 -0.2610306 0.5000000), wk = 0.0021505 k( 147) = ( 0.2558100 -0.2558100 0.5000000), wk = 0.0021505 k( 148) = ( 0.2505894 -0.2505894 0.5000000), wk = 0.0021505 k( 149) = ( 0.2453688 -0.2453688 0.5000000), wk = 0.0021505 k( 150) = ( 0.2401482 -0.2401482 0.5000000), wk = 0.0021505 k( 151) = ( 0.2349276 -0.2349276 0.5000000), wk = 0.0021505 k( 152) = ( 0.2297069 -0.2297069 0.5000000), wk = 0.0021505 k( 153) = ( 0.2244863 -0.2244863 0.5000000), wk = 0.0021505 k( 154) = ( 0.2192657 -0.2192657 0.5000000), wk = 0.0021505 k( 155) = ( 0.2140451 -0.2140451 0.5000000), wk = 0.0021505 k( 156) = ( 0.2088245 -0.2088245 0.5000000), wk = 0.0021505 k( 157) = ( 0.2036039 -0.2036039 0.5000000), wk = 0.0021505 k( 158) = ( 0.1983833 -0.1983833 0.5000000), wk = 0.0021505 k( 159) = ( 0.1931626 -0.1931626 0.5000000), wk = 0.0021505 k( 160) = ( 0.1879420 -0.1879420 0.5000000), wk = 0.0021505 k( 161) = ( 0.1827214 -0.1827214 0.5000000), wk = 0.0021505 k( 162) = ( 0.1775008 -0.1775008 0.5000000), wk = 0.0021505 k( 163) = ( 0.1722802 -0.1722802 0.5000000), wk = 0.0021505 k( 164) = ( 0.1670596 -0.1670596 0.5000000), wk = 0.0021505 k( 165) = ( 0.1618390 -0.1618390 0.5000000), wk = 0.0021505 k( 166) = ( 0.1566184 -0.1566184 0.5000000), wk = 0.0021505 k( 167) = ( 0.1513977 -0.1513977 0.5000000), wk = 0.0021505 k( 168) = ( 0.1461771 -0.1461771 0.5000000), wk = 0.0021505 k( 169) = ( 0.1409565 -0.1409565 0.5000000), wk = 0.0021505 k( 170) = ( 0.1357359 -0.1357359 0.5000000), wk = 0.0021505 k( 171) = ( 0.1305153 -0.1305153 0.5000000), wk = 0.0021505 k( 172) = ( 0.1252947 -0.1252947 0.5000000), wk = 0.0021505 k( 173) = ( 0.1200741 -0.1200741 0.5000000), wk = 0.0021505 k( 174) = ( 0.1148535 -0.1148535 0.5000000), wk = 0.0021505 k( 175) = ( 0.1096329 -0.1096329 0.5000000), wk = 0.0021505 k( 176) = ( 0.1044122 -0.1044122 0.5000000), wk = 0.0021505 k( 177) = ( 0.0991916 -0.0991916 0.5000000), wk = 0.0021505 k( 178) = ( 0.0939710 -0.0939710 0.5000000), wk = 0.0021505 k( 179) = ( 0.0887504 -0.0887504 0.5000000), wk = 0.0021505 k( 180) = ( 0.0835298 -0.0835298 0.5000000), wk = 0.0021505 k( 181) = ( 0.0783092 -0.0783092 0.5000000), wk = 0.0021505 k( 182) = ( 0.0730886 -0.0730886 0.5000000), wk = 0.0021505 k( 183) = ( 0.0678680 -0.0678680 0.5000000), wk = 0.0021505 k( 184) = ( 0.0626474 -0.0626474 0.5000000), wk = 0.0021505 k( 185) = ( 0.0574267 -0.0574267 0.5000000), wk = 0.0021505 k( 186) = ( 0.0522061 -0.0522061 0.5000000), wk = 0.0021505 k( 187) = ( 0.0469855 -0.0469855 0.5000000), wk = 0.0021505 k( 188) = ( 0.0417649 -0.0417649 0.5000000), wk = 0.0021505 k( 189) = ( 0.0365443 -0.0365443 0.5000000), wk = 0.0021505 k( 190) = ( 0.0313237 -0.0313237 0.5000000), wk = 0.0021505 k( 191) = ( 0.0261031 -0.0261031 0.5000000), wk = 0.0021505 k( 192) = ( 0.0208825 -0.0208825 0.5000000), wk = 0.0021505 k( 193) = ( 0.0156618 -0.0156618 0.5000000), wk = 0.0021505 k( 194) = ( 0.0104412 -0.0104412 0.5000000), wk = 0.0021505 k( 195) = ( 0.0052206 -0.0052206 0.5000000), wk = 0.0021505 k( 196) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021505 k( 197) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021505 k( 198) = ( 0.0089474 0.0089474 0.5047350), wk = 0.0021505 k( 199) = ( 0.0178948 0.0178948 0.5094700), wk = 0.0021505 k( 200) = ( 0.0268421 0.0268421 0.5142050), wk = 0.0021505 k( 201) = ( 0.0357895 0.0357895 0.5189401), wk = 0.0021505 k( 202) = ( 0.0447369 0.0447369 0.5236751), wk = 0.0021505 k( 203) = ( 0.0536843 0.0536843 0.5284101), wk = 0.0021505 k( 204) = ( 0.0626316 0.0626316 0.5331451), wk = 0.0021505 k( 205) = ( 0.0715790 0.0715790 0.5378801), wk = 0.0021505 k( 206) = ( 0.0805264 0.0805264 0.5426151), wk = 0.0021505 k( 207) = ( 0.0894738 0.0894738 0.5473502), wk = 0.0021505 k( 208) = ( 0.0984212 0.0984212 0.5520852), wk = 0.0021505 k( 209) = ( 0.1073685 0.1073685 0.5568202), wk = 0.0021505 k( 210) = ( 0.1163159 0.1163159 0.5615552), wk = 0.0021505 k( 211) = ( 0.1252633 0.1252633 0.5662902), wk = 0.0021505 k( 212) = ( 0.1342107 0.1342107 0.5710252), wk = 0.0021505 k( 213) = ( 0.1431581 0.1431580 0.5757602), wk = 0.0021505 k( 214) = ( 0.1521054 0.1521054 0.5804953), wk = 0.0021505 k( 215) = ( 0.1610528 0.1610528 0.5852303), wk = 0.0021505 k( 216) = ( 0.1700002 0.1700002 0.5899653), wk = 0.0021505 k( 217) = ( 0.1789476 0.1789476 0.5947003), wk = 0.0021505 k( 218) = ( 0.1878949 0.1878949 0.5994353), wk = 0.0021505 k( 219) = ( 0.1968423 0.1968423 0.6041703), wk = 0.0021505 k( 220) = ( 0.2057897 0.2057897 0.6089054), wk = 0.0021505 k( 221) = ( 0.2147371 0.2147371 0.6136404), wk = 0.0021505 k( 222) = ( 0.2236845 0.2236844 0.6183754), wk = 0.0021505 k( 223) = ( 0.2326318 0.2326318 0.6231104), wk = 0.0021505 k( 224) = ( 0.2415792 0.2415792 0.6278454), wk = 0.0021505 k( 225) = ( 0.2505266 0.2505266 0.6325804), wk = 0.0021505 k( 226) = ( 0.2594740 0.2594740 0.6373155), wk = 0.0021505 k( 227) = ( 0.2684213 0.2684213 0.6420505), wk = 0.0021505 k( 228) = ( 0.2773687 0.2773687 0.6467855), wk = 0.0021505 k( 229) = ( 0.2863161 0.2863161 0.6515205), wk = 0.0021505 k( 230) = ( 0.2952635 0.2952635 0.6562555), wk = 0.0021505 k( 231) = ( 0.3042108 0.3042108 0.6609905), wk = 0.0021505 k( 232) = ( 0.3131582 0.3131582 0.6657255), wk = 0.0021505 k( 233) = ( 0.3221056 0.3221056 0.6704606), wk = 0.0021505 k( 234) = ( 0.3310530 0.3310530 0.6751956), wk = 0.0021505 k( 235) = ( 0.3400004 0.3400004 0.6799306), wk = 0.0021505 k( 236) = ( 0.3489477 0.3489477 0.6846656), wk = 0.0021505 k( 237) = ( 0.3578951 0.3578951 0.6894006), wk = 0.0021505 k( 238) = ( 0.3668425 0.3668425 0.6941356), wk = 0.0021505 k( 239) = ( 0.3757899 0.3757899 0.6988707), wk = 0.0021505 k( 240) = ( 0.3847372 0.3847372 0.7036057), wk = 0.0021505 k( 241) = ( 0.3936846 0.3936846 0.7083407), wk = 0.0021505 k( 242) = ( 0.4026320 0.4026320 0.7130757), wk = 0.0021505 k( 243) = ( 0.4115794 0.4115794 0.7178107), wk = 0.0021505 k( 244) = ( 0.4205268 0.4205268 0.7225457), wk = 0.0021505 k( 245) = ( 0.4294741 0.4294741 0.7272808), wk = 0.0021505 k( 246) = ( 0.4384215 0.4384215 0.7320158), wk = 0.0021505 k( 247) = ( 0.4473689 0.4473689 0.7367508), wk = 0.0021505 k( 248) = ( 0.4563163 0.4563163 0.7414858), wk = 0.0021505 k( 249) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021505 k( 250) = ( 0.5051494 0.4948506 -0.0000000), wk = 0.0021505 k( 251) = ( 0.5102988 0.4897012 -0.0000000), wk = 0.0021505 k( 252) = ( 0.5154482 0.4845518 -0.0000000), wk = 0.0021505 k( 253) = ( 0.5205976 0.4794024 -0.0000000), wk = 0.0021505 k( 254) = ( 0.5257470 0.4742530 -0.0000000), wk = 0.0021505 k( 255) = ( 0.5308964 0.4691036 -0.0000000), wk = 0.0021505 k( 256) = ( 0.5360458 0.4639542 -0.0000000), wk = 0.0021505 k( 257) = ( 0.5411952 0.4588048 -0.0000000), wk = 0.0021505 k( 258) = ( 0.5463446 0.4536554 -0.0000000), wk = 0.0021505 k( 259) = ( 0.5514940 0.4485060 -0.0000000), wk = 0.0021505 k( 260) = ( 0.5566434 0.4433566 -0.0000000), wk = 0.0021505 k( 261) = ( 0.5617928 0.4382072 -0.0000000), wk = 0.0021505 k( 262) = ( 0.5669422 0.4330578 -0.0000000), wk = 0.0021505 k( 263) = ( 0.5720916 0.4279084 0.0000000), wk = 0.0021505 k( 264) = ( 0.5772410 0.4227590 -0.0000000), wk = 0.0021505 k( 265) = ( 0.5823904 0.4176096 -0.0000000), wk = 0.0021505 k( 266) = ( 0.5875398 0.4124602 -0.0000000), wk = 0.0021505 k( 267) = ( 0.5926892 0.4073108 -0.0000000), wk = 0.0021505 k( 268) = ( 0.5978386 0.4021614 -0.0000000), wk = 0.0021505 k( 269) = ( 0.6029880 0.3970120 -0.0000000), wk = 0.0021505 k( 270) = ( 0.6081374 0.3918626 -0.0000000), wk = 0.0021505 k( 271) = ( 0.6132868 0.3867132 -0.0000000), wk = 0.0021505 k( 272) = ( 0.6184362 0.3815638 -0.0000000), wk = 0.0021505 k( 273) = ( 0.6235856 0.3764144 -0.0000000), wk = 0.0021505 k( 274) = ( 0.6287350 0.3712650 0.0000000), wk = 0.0021505 k( 275) = ( 0.6338844 0.3661156 -0.0000000), wk = 0.0021505 k( 276) = ( 0.6390338 0.3609662 -0.0000000), wk = 0.0021505 k( 277) = ( 0.6441832 0.3558168 -0.0000000), wk = 0.0021505 k( 278) = ( 0.6493326 0.3506674 -0.0000000), wk = 0.0021505 k( 279) = ( 0.6544820 0.3455180 -0.0000000), wk = 0.0021505 k( 280) = ( 0.3455180 -0.3455180 0.0000000), wk = 0.0021505 k( 281) = ( 0.3402829 -0.3402829 0.0000000), wk = 0.0021505 k( 282) = ( 0.3350477 -0.3350477 -0.0000000), wk = 0.0021505 k( 283) = ( 0.3298126 -0.3298126 0.0000000), wk = 0.0021505 k( 284) = ( 0.3245775 -0.3245775 0.0000000), wk = 0.0021505 k( 285) = ( 0.3193424 -0.3193424 0.0000000), wk = 0.0021505 k( 286) = ( 0.3141073 -0.3141073 0.0000000), wk = 0.0021505 k( 287) = ( 0.3088721 -0.3088721 0.0000000), wk = 0.0021505 k( 288) = ( 0.3036370 -0.3036370 -0.0000000), wk = 0.0021505 k( 289) = ( 0.2984019 -0.2984019 -0.0000000), wk = 0.0021505 k( 290) = ( 0.2931668 -0.2931668 0.0000000), wk = 0.0021505 k( 291) = ( 0.2879316 -0.2879316 0.0000000), wk = 0.0021505 k( 292) = ( 0.2826965 -0.2826965 0.0000000), wk = 0.0021505 k( 293) = ( 0.2774614 -0.2774614 0.0000000), wk = 0.0021505 k( 294) = ( 0.2722263 -0.2722263 0.0000000), wk = 0.0021505 k( 295) = ( 0.2669912 -0.2669912 0.0000000), wk = 0.0021505 k( 296) = ( 0.2617561 -0.2617560 0.0000000), wk = 0.0021505 k( 297) = ( 0.2565209 -0.2565209 -0.0000000), wk = 0.0021505 k( 298) = ( 0.2512858 -0.2512858 0.0000000), wk = 0.0021505 k( 299) = ( 0.2460507 -0.2460507 0.0000000), wk = 0.0021505 k( 300) = ( 0.2408156 -0.2408156 0.0000000), wk = 0.0021505 k( 301) = ( 0.2355804 -0.2355804 0.0000000), wk = 0.0021505 k( 302) = ( 0.2303453 -0.2303453 0.0000000), wk = 0.0021505 k( 303) = ( 0.2251102 -0.2251102 0.0000000), wk = 0.0021505 k( 304) = ( 0.2198751 -0.2198751 0.0000000), wk = 0.0021505 k( 305) = ( 0.2146400 -0.2146400 0.0000000), wk = 0.0021505 k( 306) = ( 0.2094048 -0.2094048 0.0000000), wk = 0.0021505 k( 307) = ( 0.2041697 -0.2041697 -0.0000000), wk = 0.0021505 k( 308) = ( 0.1989346 -0.1989346 0.0000000), wk = 0.0021505 k( 309) = ( 0.1936995 -0.1936995 0.0000000), wk = 0.0021505 k( 310) = ( 0.1884644 -0.1884644 0.0000000), wk = 0.0021505 k( 311) = ( 0.1832292 -0.1832292 -0.0000000), wk = 0.0021505 k( 312) = ( 0.1779941 -0.1779941 0.0000000), wk = 0.0021505 k( 313) = ( 0.1727590 -0.1727590 0.0000000), wk = 0.0021505 k( 314) = ( 0.1675239 -0.1675239 -0.0000000), wk = 0.0021505 k( 315) = ( 0.1622888 -0.1622888 0.0000000), wk = 0.0021505 k( 316) = ( 0.1570536 -0.1570536 0.0000000), wk = 0.0021505 k( 317) = ( 0.1518185 -0.1518185 -0.0000000), wk = 0.0021505 k( 318) = ( 0.1465834 -0.1465834 0.0000000), wk = 0.0021505 k( 319) = ( 0.1413483 -0.1413483 0.0000000), wk = 0.0021505 k( 320) = ( 0.1361131 -0.1361131 0.0000000), wk = 0.0021505 k( 321) = ( 0.1308780 -0.1308780 0.0000000), wk = 0.0021505 k( 322) = ( 0.1256429 -0.1256429 0.0000000), wk = 0.0021505 k( 323) = ( 0.1204078 -0.1204078 0.0000000), wk = 0.0021505 k( 324) = ( 0.1151727 -0.1151727 0.0000000), wk = 0.0021505 k( 325) = ( 0.1099375 -0.1099375 0.0000000), wk = 0.0021505 k( 326) = ( 0.1047024 -0.1047024 0.0000000), wk = 0.0021505 k( 327) = ( 0.0994673 -0.0994673 0.0000000), wk = 0.0021505 k( 328) = ( 0.0942322 -0.0942322 0.0000000), wk = 0.0021505 k( 329) = ( 0.0889971 -0.0889971 -0.0000000), wk = 0.0021505 k( 330) = ( 0.0837619 -0.0837619 0.0000000), wk = 0.0021505 k( 331) = ( 0.0785268 -0.0785268 0.0000000), wk = 0.0021505 k( 332) = ( 0.0732917 -0.0732917 0.0000000), wk = 0.0021505 k( 333) = ( 0.0680566 -0.0680566 0.0000000), wk = 0.0021505 k( 334) = ( 0.0628215 -0.0628214 0.0000000), wk = 0.0021505 k( 335) = ( 0.0575863 -0.0575863 0.0000000), wk = 0.0021505 k( 336) = ( 0.0523512 -0.0523512 0.0000000), wk = 0.0021505 k( 337) = ( 0.0471161 -0.0471161 0.0000000), wk = 0.0021505 k( 338) = ( 0.0418810 -0.0418810 0.0000000), wk = 0.0021505 k( 339) = ( 0.0366459 -0.0366459 -0.0000000), wk = 0.0021505 k( 340) = ( 0.0314107 -0.0314107 0.0000000), wk = 0.0021505 k( 341) = ( 0.0261756 -0.0261756 0.0000000), wk = 0.0021505 k( 342) = ( 0.0209405 -0.0209405 0.0000000), wk = 0.0021505 k( 343) = ( 0.0157054 -0.0157054 0.0000000), wk = 0.0021505 k( 344) = ( 0.0104702 -0.0104702 0.0000000), wk = 0.0021505 k( 345) = ( 0.0052351 -0.0052351 0.0000000), wk = 0.0021505 k( 346) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 347) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 348) = ( 0.0089286 0.0000000 -0.0000000), wk = 0.0021505 k( 349) = ( 0.0178571 0.0000000 -0.0000000), wk = 0.0021505 k( 350) = ( 0.0267857 0.0000000 -0.0000000), wk = 0.0021505 k( 351) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0021505 k( 352) = ( 0.0446429 -0.0000000 -0.0000000), wk = 0.0021505 k( 353) = ( 0.0535714 -0.0000000 -0.0000000), wk = 0.0021505 k( 354) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0021505 k( 355) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0021505 k( 356) = ( 0.0803571 0.0000000 -0.0000000), wk = 0.0021505 k( 357) = ( 0.0892857 -0.0000000 -0.0000000), wk = 0.0021505 k( 358) = ( 0.0982143 0.0000000 0.0000000), wk = 0.0021505 k( 359) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0021505 k( 360) = ( 0.1160714 0.0000000 0.0000000), wk = 0.0021505 k( 361) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0021505 k( 362) = ( 0.1339286 -0.0000000 -0.0000000), wk = 0.0021505 k( 363) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0021505 k( 364) = ( 0.1517857 0.0000000 -0.0000000), wk = 0.0021505 k( 365) = ( 0.1607143 0.0000000 -0.0000000), wk = 0.0021505 k( 366) = ( 0.1696429 -0.0000000 0.0000000), wk = 0.0021505 k( 367) = ( 0.1785714 -0.0000000 0.0000000), wk = 0.0021505 k( 368) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0021505 k( 369) = ( 0.1964286 -0.0000000 0.0000000), wk = 0.0021505 k( 370) = ( 0.2053571 -0.0000000 -0.0000000), wk = 0.0021505 k( 371) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0021505 k( 372) = ( 0.2232143 -0.0000000 0.0000000), wk = 0.0021505 k( 373) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0021505 k( 374) = ( 0.2410714 0.0000000 -0.0000000), wk = 0.0021505 k( 375) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0021505 k( 376) = ( 0.2589286 0.0000000 -0.0000000), wk = 0.0021505 k( 377) = ( 0.2678571 -0.0000000 -0.0000000), wk = 0.0021505 k( 378) = ( 0.2767857 0.0000000 -0.0000000), wk = 0.0021505 k( 379) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0021505 k( 380) = ( 0.2946429 -0.0000000 -0.0000000), wk = 0.0021505 k( 381) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0021505 k( 382) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0021505 k( 383) = ( 0.3214286 0.0000000 -0.0000000), wk = 0.0021505 k( 384) = ( 0.3303571 0.0000000 -0.0000000), wk = 0.0021505 k( 385) = ( 0.3392857 -0.0000000 -0.0000000), wk = 0.0021505 k( 386) = ( 0.3482143 -0.0000000 0.0000000), wk = 0.0021505 k( 387) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0021505 k( 388) = ( 0.3660714 -0.0000000 -0.0000000), wk = 0.0021505 k( 389) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0021505 k( 390) = ( 0.3839286 -0.0000000 -0.0000000), wk = 0.0021505 k( 391) = ( 0.3928571 -0.0000000 0.0000000), wk = 0.0021505 k( 392) = ( 0.4017857 -0.0000000 0.0000000), wk = 0.0021505 k( 393) = ( 0.4107143 0.0000000 -0.0000000), wk = 0.0021505 k( 394) = ( 0.4196429 -0.0000000 -0.0000000), wk = 0.0021505 k( 395) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0021505 k( 396) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0021505 k( 397) = ( 0.4464286 -0.0000000 -0.0000000), wk = 0.0021505 k( 398) = ( 0.4553571 -0.0000000 -0.0000000), wk = 0.0021505 k( 399) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0021505 k( 400) = ( 0.4732143 -0.0000000 -0.0000000), wk = 0.0021505 k( 401) = ( 0.4821429 0.0000000 -0.0000000), wk = 0.0021505 k( 402) = ( 0.4910714 -0.0000000 0.0000000), wk = 0.0021505 k( 403) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021505 k( 404) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021505 k( 405) = ( 0.4918033 -0.0000000 0.4918033), wk = 0.0021505 k( 406) = ( 0.4836066 0.0000000 0.4836066), wk = 0.0021505 k( 407) = ( 0.4754098 0.0000000 0.4754098), wk = 0.0021505 k( 408) = ( 0.4672131 0.0000000 0.4672131), wk = 0.0021505 k( 409) = ( 0.4590164 -0.0000000 0.4590164), wk = 0.0021505 k( 410) = ( 0.4508197 -0.0000000 0.4508197), wk = 0.0021505 k( 411) = ( 0.4426230 -0.0000000 0.4426229), wk = 0.0021505 k( 412) = ( 0.4344262 -0.0000000 0.4344262), wk = 0.0021505 k( 413) = ( 0.4262295 -0.0000000 0.4262295), wk = 0.0021505 k( 414) = ( 0.4180328 0.0000000 0.4180328), wk = 0.0021505 k( 415) = ( 0.4098361 0.0000000 0.4098361), wk = 0.0021505 k( 416) = ( 0.4016393 -0.0000000 0.4016393), wk = 0.0021505 k( 417) = ( 0.3934426 0.0000000 0.3934426), wk = 0.0021505 k( 418) = ( 0.3852459 -0.0000000 0.3852459), wk = 0.0021505 k( 419) = ( 0.3770492 -0.0000000 0.3770492), wk = 0.0021505 k( 420) = ( 0.3688525 -0.0000000 0.3688525), wk = 0.0021505 k( 421) = ( 0.3606557 -0.0000000 0.3606557), wk = 0.0021505 k( 422) = ( 0.3524590 -0.0000000 0.3524590), wk = 0.0021505 k( 423) = ( 0.3442623 -0.0000000 0.3442623), wk = 0.0021505 k( 424) = ( 0.3360656 -0.0000000 0.3360656), wk = 0.0021505 k( 425) = ( 0.3278688 0.0000000 0.3278688), wk = 0.0021505 k( 426) = ( 0.3196721 0.0000000 0.3196721), wk = 0.0021505 k( 427) = ( 0.3114754 0.0000000 0.3114754), wk = 0.0021505 k( 428) = ( 0.3032787 0.0000000 0.3032787), wk = 0.0021505 k( 429) = ( 0.2950820 0.0000000 0.2950820), wk = 0.0021505 k( 430) = ( 0.2868852 0.0000000 0.2868852), wk = 0.0021505 k( 431) = ( 0.2786885 -0.0000000 0.2786885), wk = 0.0021505 k( 432) = ( 0.2704918 -0.0000000 0.2704918), wk = 0.0021505 k( 433) = ( 0.2622951 -0.0000000 0.2622951), wk = 0.0021505 k( 434) = ( 0.2540984 -0.0000000 0.2540984), wk = 0.0021505 k( 435) = ( 0.2459016 -0.0000000 0.2459016), wk = 0.0021505 k( 436) = ( 0.2377049 0.0000000 0.2377049), wk = 0.0021505 k( 437) = ( 0.2295082 0.0000000 0.2295082), wk = 0.0021505 k( 438) = ( 0.2213115 -0.0000000 0.2213115), wk = 0.0021505 k( 439) = ( 0.2131147 -0.0000000 0.2131147), wk = 0.0021505 k( 440) = ( 0.2049180 -0.0000000 0.2049180), wk = 0.0021505 k( 441) = ( 0.1967213 0.0000000 0.1967213), wk = 0.0021505 k( 442) = ( 0.1885246 -0.0000000 0.1885246), wk = 0.0021505 k( 443) = ( 0.1803279 -0.0000000 0.1803279), wk = 0.0021505 k( 444) = ( 0.1721312 -0.0000000 0.1721311), wk = 0.0021505 k( 445) = ( 0.1639344 0.0000000 0.1639344), wk = 0.0021505 k( 446) = ( 0.1557377 0.0000000 0.1557377), wk = 0.0021505 k( 447) = ( 0.1475410 0.0000000 0.1475410), wk = 0.0021505 k( 448) = ( 0.1393443 -0.0000000 0.1393443), wk = 0.0021505 k( 449) = ( 0.1311475 -0.0000000 0.1311475), wk = 0.0021505 k( 450) = ( 0.1229508 -0.0000000 0.1229508), wk = 0.0021505 k( 451) = ( 0.1147541 0.0000000 0.1147541), wk = 0.0021505 k( 452) = ( 0.1065574 -0.0000000 0.1065574), wk = 0.0021505 k( 453) = ( 0.0983607 0.0000000 0.0983607), wk = 0.0021505 k( 454) = ( 0.0901639 -0.0000000 0.0901639), wk = 0.0021505 k( 455) = ( 0.0819672 0.0000000 0.0819672), wk = 0.0021505 k( 456) = ( 0.0737705 0.0000000 0.0737705), wk = 0.0021505 k( 457) = ( 0.0655738 -0.0000000 0.0655738), wk = 0.0021505 k( 458) = ( 0.0573770 0.0000000 0.0573770), wk = 0.0021505 k( 459) = ( 0.0491803 0.0000000 0.0491803), wk = 0.0021505 k( 460) = ( 0.0409836 0.0000000 0.0409836), wk = 0.0021505 k( 461) = ( 0.0327869 -0.0000000 0.0327869), wk = 0.0021505 k( 462) = ( 0.0245902 0.0000000 0.0245902), wk = 0.0021505 k( 463) = ( 0.0163934 0.0000000 0.0163934), wk = 0.0021505 k( 464) = ( 0.0081967 0.0000000 0.0081967), wk = 0.0021505 k( 465) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 Dense grid: 42261 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 306, 26) NL pseudopotentials 0.13 Mb ( 153, 56) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1173) G-vector shells 0.01 Mb ( 1085) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 306, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 56, 2, 26) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./LiN3.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.4 secs Computing kpt #: 2 total cpu time spent up to now is 1.6 secs Computing kpt #: 3 total cpu time spent up to now is 1.7 secs Computing kpt #: 4 total cpu time spent up to now is 1.8 secs Computing kpt #: 5 total cpu time spent up to now is 2.0 secs Computing kpt #: 6 total cpu time spent up to now is 2.1 secs Computing kpt #: 7 total cpu time spent up to now is 2.3 secs Computing kpt #: 8 total cpu time spent up to now is 2.4 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.2 secs Computing kpt #: 14 total cpu time spent up to now is 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.5 secs 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Computing kpt #: 371 total cpu time spent up to now is 60.2 secs Computing kpt #: 372 total cpu time spent up to now is 60.3 secs Computing kpt #: 373 total cpu time spent up to now is 60.5 secs Computing kpt #: 374 total cpu time spent up to now is 60.6 secs Computing kpt #: 375 total cpu time spent up to now is 60.8 secs Computing kpt #: 376 total cpu time spent up to now is 60.9 secs Computing kpt #: 377 total cpu time spent up to now is 61.1 secs Computing kpt #: 378 total cpu time spent up to now is 61.3 secs Computing kpt #: 379 total cpu time spent up to now is 61.5 secs Computing kpt #: 380 total cpu time spent up to now is 61.7 secs Computing kpt #: 381 total cpu time spent up to now is 61.9 secs Computing kpt #: 382 total cpu time spent up to now is 62.1 secs Computing kpt #: 383 total cpu time spent up to now is 62.3 secs Computing kpt #: 384 total cpu time spent up to now is 62.5 secs Computing kpt #: 385 total cpu time spent up to now is 62.7 secs Computing kpt #: 386 total cpu time spent up to now is 62.9 secs Computing kpt #: 387 total cpu time spent up to now is 63.1 secs Computing kpt #: 388 total cpu time spent up to now is 63.3 secs Computing kpt #: 389 total cpu time spent up to now is 63.5 secs Computing kpt #: 390 total cpu time spent up to now is 63.6 secs Computing kpt #: 391 total cpu time spent up to now is 63.8 secs Computing kpt #: 392 total cpu time spent up to now is 64.0 secs Computing kpt #: 393 total cpu time spent up to now is 64.2 secs Computing kpt #: 394 total cpu time spent up to now is 64.4 secs Computing kpt #: 395 total cpu time spent up to now is 64.6 secs Computing kpt #: 396 total cpu time spent up to now is 64.8 secs Computing kpt #: 397 total cpu time spent up to now is 65.0 secs Computing kpt #: 398 total cpu time spent up to now is 65.2 secs Computing kpt #: 399 total cpu time spent up to now is 65.4 secs Computing kpt #: 400 total cpu time spent up to now is 65.6 secs Computing kpt #: 401 total cpu time spent up to now is 65.8 secs Computing kpt #: 402 total cpu time spent up to now is 66.0 secs Computing kpt #: 403 total cpu time spent up to now is 66.2 secs Computing kpt #: 404 total cpu time spent up to now is 66.4 secs Computing kpt #: 405 total cpu time spent up to now is 66.7 secs Computing kpt #: 406 total cpu time spent up to now is 66.9 secs Computing kpt #: 407 total cpu time spent up to now is 67.1 secs Computing kpt #: 408 total cpu time spent up to now is 67.3 secs Computing kpt #: 409 total cpu time spent up to now is 67.4 secs Computing kpt #: 410 total cpu time spent up to now is 67.6 secs Computing kpt #: 411 total cpu time spent up to now is 67.8 secs Computing kpt #: 412 total cpu time spent up to now is 67.9 secs Computing kpt #: 413 total cpu time spent up to now is 68.1 secs Computing kpt #: 414 total cpu time spent up to now is 68.3 secs Computing kpt #: 415 total cpu time spent up to now is 68.5 secs Computing kpt #: 416 total cpu time spent up to now is 68.6 secs Computing kpt #: 417 total cpu time spent up to now is 68.8 secs Computing kpt #: 418 total cpu time spent up to now is 69.0 secs Computing kpt #: 419 total cpu time spent up to now is 69.1 secs Computing kpt #: 420 total cpu time spent up to now is 69.3 secs Computing kpt #: 421 total cpu time spent up to now is 69.4 secs Computing kpt #: 422 total cpu time spent up to now is 69.6 secs Computing kpt #: 423 total cpu time spent up to now is 69.8 secs Computing kpt #: 424 total cpu time spent up to now is 69.9 secs Computing kpt #: 425 total cpu time spent up to now is 70.1 secs Computing kpt #: 426 total cpu time spent up to now is 70.2 secs Computing kpt #: 427 total cpu time spent up to now is 70.4 secs Computing kpt #: 428 total cpu time spent up to now is 70.5 secs Computing kpt #: 429 total cpu time spent up to now is 70.7 secs Computing kpt #: 430 total cpu time spent up to now is 70.9 secs Computing kpt #: 431 total cpu time spent up to now is 71.0 secs Computing kpt #: 432 total cpu time spent up to now is 71.1 secs Computing kpt #: 433 total cpu time spent up to now is 71.3 secs Computing kpt #: 434 total cpu time spent up to now is 71.5 secs Computing kpt #: 435 total cpu time spent up to now is 71.6 secs Computing kpt #: 436 total cpu time spent up to now is 71.8 secs Computing kpt #: 437 total cpu time spent up to now is 71.9 secs Computing kpt #: 438 total cpu time spent up to now is 72.1 secs Computing kpt #: 439 total cpu time spent up to now is 72.2 secs Computing kpt #: 440 total cpu time spent up to now is 72.3 secs Computing kpt #: 441 total cpu time spent up to now is 72.5 secs Computing kpt #: 442 total cpu time spent up to now is 72.6 secs Computing kpt #: 443 total cpu time spent up to now is 72.7 secs Computing kpt #: 444 total cpu time spent up to now is 72.9 secs Computing kpt #: 445 total cpu time spent up to now is 73.0 secs Computing kpt #: 446 total cpu time spent up to now is 73.2 secs Computing kpt #: 447 total cpu time spent up to now is 73.3 secs Computing kpt #: 448 total cpu time spent up to now is 73.5 secs Computing kpt #: 449 total cpu time spent up to now is 73.6 secs Computing kpt #: 450 total cpu time spent up to now is 73.8 secs Computing kpt #: 451 total cpu time spent up to now is 73.9 secs Computing kpt #: 452 total cpu time spent up to now is 74.0 secs Computing kpt #: 453 total cpu time spent up to now is 74.2 secs Computing kpt #: 454 total cpu time spent up to now is 74.3 secs Computing kpt #: 455 total cpu time spent up to now is 74.5 secs Computing kpt #: 456 total cpu time spent up to now is 74.6 secs Computing kpt #: 457 total cpu time spent up to now is 74.8 secs Computing kpt #: 458 total cpu time spent up to now is 74.9 secs Computing kpt #: 459 total cpu time spent up to now is 75.1 secs Computing kpt #: 460 total cpu time spent up to now is 75.2 secs Computing kpt #: 461 total cpu time spent up to now is 75.3 secs Computing kpt #: 462 total cpu time spent up to now is 75.5 secs Computing kpt #: 463 total cpu time spent up to now is 75.6 secs Computing kpt #: 464 total cpu time spent up to now is 75.7 secs Computing kpt #: 465 total cpu time spent up to now is 75.9 secs ethr = 5.56E-08, avg # of iterations = 16.7 total cpu time spent up to now is 75.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5241 PWs) bands (ev): -41.4760 -41.4760 -20.4324 -20.4324 -16.0511 -16.0511 -4.9294 -4.9294 -3.6994 -3.6994 -3.6386 -3.6386 -1.9766 -1.9766 2.4049 2.4049 2.4816 2.4816 8.2320 8.2320 8.3652 8.3652 8.7534 8.7534 12.0552 12.0552 k = 0.0085 0.0050-0.0031 ( 5241 PWs) bands (ev): -41.4760 -41.4760 -20.4322 -20.4322 -16.0510 -16.0510 -4.9290 -4.9290 -3.6997 -3.6997 -3.6395 -3.6395 -1.9768 -1.9768 2.4034 2.4034 2.4815 2.4815 8.2276 8.2276 8.3721 8.3721 8.7525 8.7525 12.0566 12.0566 k = 0.0169 0.0100-0.0062 ( 5247 PWs) bands (ev): -41.4760 -41.4760 -20.4317 -20.4317 -16.0508 -16.0508 -4.9276 -4.9276 -3.7007 -3.7007 -3.6425 -3.6425 -1.9773 -1.9773 2.3987 2.3987 2.4813 2.4813 8.2164 8.2164 8.3905 8.3905 8.7498 8.7498 12.0607 12.0607 k = 0.0254 0.0150-0.0092 ( 5247 PWs) bands (ev): -41.4760 -41.4760 -20.4309 -20.4309 -16.0504 -16.0504 -4.9253 -4.9253 -3.7022 -3.7022 -3.6473 -3.6473 -1.9782 -1.9782 2.3908 2.3908 2.4809 2.4809 8.2023 8.2023 8.4168 8.4168 8.7454 8.7454 12.0675 12.0675 k = 0.0339 0.0200-0.0123 ( 5247 PWs) bands (ev): -41.4759 -41.4759 -20.4297 -20.4297 -16.0499 -16.0499 -4.9220 -4.9220 -3.7044 -3.7044 -3.6540 -3.6540 -1.9795 -1.9795 2.3799 2.3799 2.4803 2.4803 8.1875 8.1875 8.4484 8.4484 8.7392 8.7392 12.0771 12.0771 k = 0.0424 0.0250-0.0154 ( 5243 PWs) bands (ev): -41.4759 -41.4759 -20.4283 -20.4283 -16.0493 -16.0493 -4.9179 -4.9179 -3.7072 -3.7072 -3.6625 -3.6625 -1.9812 -1.9812 2.3660 2.3660 2.4796 2.4796 8.1734 8.1734 8.4840 8.4840 8.7313 8.7313 12.0895 12.0895 k = 0.0508 0.0300-0.0185 ( 5246 PWs) bands (ev): -41.4758 -41.4758 -20.4265 -20.4265 -16.0485 -16.0485 -4.9129 -4.9129 -3.7107 -3.7107 -3.6728 -3.6728 -1.9832 -1.9832 2.3490 2.3490 2.4788 2.4788 8.1605 8.1605 8.5229 8.5229 8.7216 8.7216 12.1047 12.1047 k = 0.0593 0.0350-0.0216 ( 5251 PWs) bands (ev): -41.4758 -41.4758 -20.4243 -20.4243 -16.0476 -16.0476 -4.9070 -4.9070 -3.7149 -3.7149 -3.6847 -3.6847 -1.9856 -1.9856 2.3291 2.3291 2.4779 2.4779 8.1491 8.1491 8.5645 8.5645 8.7103 8.7103 12.1226 12.1226 k = 0.0678 0.0400-0.0247 ( 5255 PWs) bands (ev): -41.4757 -41.4757 -20.4219 -20.4219 -16.0466 -16.0466 -4.9002 -4.9002 -3.7199 -3.7199 -3.6979 -3.6979 -1.9884 -1.9884 2.3065 2.3065 2.4768 2.4768 8.1391 8.1391 8.6087 8.6087 8.6974 8.6974 12.1433 12.1433 k = 0.0763 0.0450-0.0277 ( 5257 PWs) bands (ev): -41.4756 -41.4756 -20.4192 -20.4192 -16.0454 -16.0454 -4.8927 -4.8927 -3.7265 -3.7265 -3.7118 -3.7118 -1.9916 -1.9916 2.2811 2.2811 2.4757 2.4757 8.1305 8.1305 8.6547 8.6547 8.6837 8.6837 12.1667 12.1667 k = 0.0847 0.0500-0.0308 ( 5262 PWs) bands (ev): -41.4756 -41.4756 -20.4161 -20.4161 -16.0441 -16.0441 -4.8843 -4.8843 -3.7370 -3.7370 -3.7237 -3.7237 -1.9951 -1.9951 2.2531 2.2531 2.4744 2.4744 8.1231 8.1231 8.6654 8.6654 8.7059 8.7059 12.1929 12.1929 k = 0.0932 0.0550-0.0339 ( 5269 PWs) bands (ev): -41.4755 -41.4755 -20.4128 -20.4128 -16.0427 -16.0427 -4.8753 -4.8753 -3.7528 -3.7528 -3.7322 -3.7322 -1.9991 -1.9991 2.2225 2.2225 2.4730 2.4730 8.1169 8.1169 8.6482 8.6482 8.7567 8.7567 12.2217 12.2217 k = 0.1017 0.0600-0.0370 ( 5269 PWs) bands (ev): -41.4754 -41.4754 -20.4092 -20.4092 -16.0411 -16.0411 -4.8655 -4.8655 -3.7714 -3.7714 -3.7396 -3.7396 -2.0036 -2.0036 2.1897 2.1897 2.4716 2.4716 8.1116 8.1116 8.6291 8.6291 8.8102 8.8102 12.2531 12.2531 k = 0.1102 0.0650-0.0401 ( 5272 PWs) bands (ev): -41.4753 -41.4753 -20.4053 -20.4053 -16.0395 -16.0395 -4.8551 -4.8551 -3.7915 -3.7915 -3.7470 -3.7470 -2.0084 -2.0084 2.1546 2.1546 2.4701 2.4701 8.1070 8.1070 8.6086 8.6086 8.8659 8.8659 12.2869 12.2869 k = 0.1186 0.0700-0.0432 ( 5274 PWs) bands (ev): -41.4751 -41.4751 -20.4012 -20.4012 -16.0378 -16.0378 -4.8442 -4.8442 -3.8127 -3.8127 -3.7546 -3.7546 -2.0138 -2.0138 2.1175 2.1175 2.4685 2.4685 8.1028 8.1028 8.5867 8.5867 8.9237 8.9237 12.3231 12.3231 k = 0.1271 0.0750-0.0462 ( 5275 PWs) bands (ev): -41.4750 -41.4750 -20.3968 -20.3968 -16.0359 -16.0359 -4.8328 -4.8328 -3.8347 -3.8347 -3.7627 -3.7627 -2.0196 -2.0196 2.0784 2.0784 2.4668 2.4668 8.0988 8.0988 8.5635 8.5635 8.9836 8.9836 12.3613 12.3613 k = 0.1356 0.0800-0.0493 ( 5279 PWs) bands (ev): -41.4749 -41.4749 -20.3921 -20.3921 -16.0340 -16.0340 -4.8211 -4.8211 -3.8573 -3.8573 -3.7710 -3.7710 -2.0258 -2.0258 2.0375 2.0375 2.4651 2.4651 8.0947 8.0947 8.5390 8.5390 9.0456 9.0456 12.4014 12.4014 k = 0.1441 0.0850-0.0524 ( 5284 PWs) bands (ev): -41.4748 -41.4748 -20.3872 -20.3872 -16.0319 -16.0319 -4.8092 -4.8092 -3.8802 -3.8802 -3.7797 -3.7797 -2.0326 -2.0326 1.9951 1.9951 2.4633 2.4633 8.0902 8.0902 8.5135 8.5135 9.1097 9.1097 12.4428 12.4428 k = 0.1525 0.0900-0.0555 ( 5289 PWs) bands (ev): -41.4746 -41.4746 -20.3822 -20.3822 -16.0298 -16.0298 -4.7971 -4.7971 -3.9032 -3.9032 -3.7888 -3.7888 -2.0399 -2.0399 1.9511 1.9511 2.4615 2.4615 8.0853 8.0853 8.4868 8.4868 9.1757 9.1757 12.4852 12.4852 k = 0.1610 0.0950-0.0586 ( 5293 PWs) bands (ev): -41.4745 -41.4745 -20.3769 -20.3769 -16.0277 -16.0277 -4.7852 -4.7852 -3.9260 -3.9260 -3.7982 -3.7982 -2.0478 -2.0478 1.9059 1.9059 2.4597 2.4597 8.0796 8.0796 8.4592 8.4592 9.2437 9.2437 12.5280 12.5280 k = 0.1695 0.1000-0.0617 ( 5295 PWs) bands (ev): -41.4743 -41.4743 -20.3714 -20.3714 -16.0254 -16.0254 -4.7735 -4.7735 -3.9483 -3.9483 -3.8078 -3.8078 -2.0562 -2.0562 1.8596 1.8596 2.4579 2.4579 8.0729 8.0729 8.4307 8.4307 9.3136 9.3136 12.5705 12.5705 k = 0.1780 0.1050-0.0647 ( 5294 PWs) bands (ev): -41.4742 -41.4742 -20.3657 -20.3657 -16.0231 -16.0231 -4.7624 -4.7624 -3.9698 -3.9698 -3.8177 -3.8177 -2.0652 -2.0652 1.8123 1.8123 2.4561 2.4561 8.0652 8.0652 8.4014 8.4014 9.3854 9.3854 12.6119 12.6119 k = 0.1864 0.1100-0.0678 ( 5292 PWs) bands (ev): -41.4740 -41.4740 -20.3599 -20.3599 -16.0208 -16.0208 -4.7522 -4.7522 -3.9900 -3.9900 -3.8279 -3.8279 -2.0748 -2.0748 1.7642 1.7642 2.4543 2.4543 8.0562 8.0562 8.3714 8.3714 9.4589 9.4589 12.6513 12.6513 k = 0.1949 0.1150-0.0709 ( 5295 PWs) bands (ev): -41.4738 -41.4738 -20.3539 -20.3539 -16.0184 -16.0184 -4.7430 -4.7430 -4.0087 -4.0087 -3.8382 -3.8382 -2.0850 -2.0850 1.7155 1.7155 2.4525 2.4525 8.0458 8.0458 8.3407 8.3407 9.5341 9.5341 12.6877 12.6877 k = 0.2034 0.1200-0.0740 ( 5291 PWs) bands (ev): -41.4737 -41.4737 -20.3478 -20.3478 -16.0159 -16.0159 -4.7353 -4.7353 -4.0252 -4.0252 -3.8487 -3.8487 -2.0960 -2.0960 1.6662 1.6662 2.4507 2.4507 8.0341 8.0341 8.3095 8.3095 9.6108 9.6108 12.7202 12.7202 k = 0.2119 0.1250-0.0771 ( 5294 PWs) bands (ev): -41.4735 -41.4735 -20.3416 -20.3416 -16.0135 -16.0135 -4.7294 -4.7294 -4.0393 -4.0393 -3.8594 -3.8594 -2.1076 -2.1076 1.6167 1.6167 2.4490 2.4490 8.0208 8.0208 8.2778 8.2778 9.6889 9.6889 12.7480 12.7480 k = 0.2203 0.1300-0.0802 ( 5296 PWs) bands (ev): -41.4733 -41.4733 -20.3352 -20.3352 -16.0110 -16.0110 -4.7257 -4.7257 -4.0504 -4.0504 -3.8701 -3.8701 -2.1199 -2.1199 1.5670 1.5670 2.4473 2.4473 8.0061 8.0061 8.2458 8.2458 9.7683 9.7683 12.7706 12.7706 k = 0.2288 0.1350-0.0832 ( 5302 PWs) bands (ev): -41.4732 -41.4732 -20.3288 -20.3288 -16.0085 -16.0085 -4.7245 -4.7245 -4.0582 -4.0582 -3.8810 -3.8810 -2.1330 -2.1330 1.5172 1.5172 2.4456 2.4456 7.9899 7.9899 8.2135 8.2135 9.8487 9.8487 12.7877 12.7877 k = 0.2373 0.1400-0.0863 ( 5297 PWs) bands (ev): -41.4730 -41.4730 -20.3224 -20.3224 -16.0060 -16.0060 -4.7260 -4.7260 -4.0623 -4.0623 -3.8919 -3.8919 -2.1468 -2.1468 1.4676 1.4676 2.4440 2.4440 7.9723 7.9723 8.1810 8.1810 9.9299 9.9299 12.7994 12.7994 k = 0.2458 0.1450-0.0894 ( 5293 PWs) bands (ev): -41.4728 -41.4728 -20.3159 -20.3159 -16.0035 -16.0035 -4.7303 -4.7303 -4.0626 -4.0626 -3.9028 -3.9028 -2.1615 -2.1615 1.4182 1.4182 2.4425 2.4425 7.9533 7.9533 8.1485 8.1485 10.0117 10.0117 12.8063 12.8063 k = 0.2542 0.1500-0.0925 ( 5289 PWs) bands (ev): -41.4726 -41.4726 -20.3093 -20.3093 -16.0010 -16.0010 -4.7375 -4.7375 -4.0589 -4.0589 -3.9137 -3.9137 -2.1770 -2.1770 1.3693 1.3693 2.4410 2.4410 7.9330 7.9330 8.1159 8.1159 10.0938 10.0938 12.8088 12.8088 k = 0.2627 0.1550-0.0956 ( 5287 PWs) bands (ev): -41.4724 -41.4724 -20.3028 -20.3028 -15.9985 -15.9985 -4.7474 -4.7474 -4.0513 -4.0513 -3.9245 -3.9245 -2.1934 -2.1934 1.3209 1.3209 2.4396 2.4396 7.9114 7.9114 8.0835 8.0835 10.1759 10.1759 12.8079 12.8079 k = 0.2712 0.1600-0.0987 ( 5283 PWs) bands (ev): -41.4723 -41.4723 -20.2963 -20.2963 -15.9960 -15.9960 -4.7599 -4.7599 -4.0399 -4.0399 -3.9353 -3.9353 -2.2107 -2.2107 1.2732 1.2732 2.4383 2.4383 7.8888 7.8888 8.0513 8.0513 10.2577 10.2577 12.8042 12.8042 k = 0.2797 0.1650-0.1017 ( 5281 PWs) bands (ev): -41.4721 -41.4721 -20.2898 -20.2898 -15.9936 -15.9936 -4.7747 -4.7747 -4.0250 -4.0250 -3.9459 -3.9459 -2.2288 -2.2288 1.2263 1.2263 2.4371 2.4371 7.8652 7.8652 8.0193 8.0193 10.3389 10.3389 12.7986 12.7986 k = 0.2881 0.1700-0.1048 ( 5281 PWs) bands (ev): -41.4719 -41.4719 -20.2833 -20.2833 -15.9912 -15.9912 -4.7913 -4.7913 -4.0068 -4.0068 -3.9564 -3.9564 -2.2480 -2.2480 1.1803 1.1803 2.4359 2.4359 7.8407 7.8407 7.9877 7.9877 10.4189 10.4189 12.7919 12.7919 k = 0.2966 0.1750-0.1079 ( 5281 PWs) bands (ev): -41.4717 -41.4717 -20.2769 -20.2769 -15.9888 -15.9888 -4.8096 -4.8096 -3.9859 -3.9859 -3.9665 -3.9665 -2.2681 -2.2681 1.1354 1.1354 2.4348 2.4348 7.8155 7.8155 7.9566 7.9566 10.4975 10.4975 12.7848 12.7848 k = 0.3051 0.1799-0.1110 ( 5283 PWs) bands (ev): -41.4716 -41.4716 -20.2706 -20.2706 -15.9865 -15.9865 -4.8290 -4.8290 -3.9777 -3.9777 -3.9611 -3.9611 -2.2892 -2.2892 1.0915 1.0915 2.4338 2.4338 7.7898 7.7898 7.9260 7.9260 10.5742 10.5742 12.7781 12.7781 k = 0.3136 0.1849-0.1141 ( 5285 PWs) bands (ev): -41.4714 -41.4714 -20.2645 -20.2645 -15.9843 -15.9843 -4.8493 -4.8493 -3.9873 -3.9873 -3.9353 -3.9353 -2.3113 -2.3113 1.0490 1.0490 2.4329 2.4329 7.7637 7.7637 7.8960 7.8960 10.6485 10.6485 12.7726 12.7726 k = 0.3220 0.1899-0.1172 ( 5288 PWs) bands (ev): -41.4713 -41.4713 -20.2584 -20.2584 -15.9821 -15.9821 -4.8702 -4.8702 -3.9970 -3.9970 -3.9071 -3.9071 -2.3344 -2.3344 1.0078 1.0078 2.4320 2.4320 7.7373 7.7373 7.8668 7.8668 10.7200 10.7200 12.7688 12.7688 k = 0.3305 0.1949-0.1202 ( 5286 PWs) bands (ev): -41.4711 -41.4711 -20.2525 -20.2525 -15.9800 -15.9800 -4.8914 -4.8914 -4.0064 -4.0064 -3.8769 -3.8769 -2.3585 -2.3585 0.9680 0.9680 2.4312 2.4312 7.7109 7.7109 7.8383 7.8383 10.7881 10.7881 12.7674 12.7674 k = 0.3390 0.1999-0.1233 ( 5288 PWs) bands (ev): -41.4710 -41.4710 -20.2467 -20.2467 -15.9779 -15.9779 -4.9126 -4.9126 -4.0156 -4.0156 -3.8451 -3.8451 -2.3837 -2.3837 0.9298 0.9298 2.4305 2.4305 7.6846 7.6846 7.8107 7.8107 10.8524 10.8524 12.7690 12.7690 k = 0.3475 0.2049-0.1264 ( 5281 PWs) bands (ev): -41.4708 -41.4708 -20.2411 -20.2411 -15.9759 -15.9759 -4.9337 -4.9337 -4.0244 -4.0244 -3.8119 -3.8119 -2.4099 -2.4099 0.8931 0.8931 2.4299 2.4299 7.6585 7.6585 7.7841 7.7841 10.9125 10.9125 12.7740 12.7740 k = 0.3559 0.2099-0.1295 ( 5281 PWs) bands (ev): -41.4707 -41.4707 -20.2357 -20.2357 -15.9740 -15.9740 -4.9544 -4.9544 -4.0329 -4.0329 -3.7773 -3.7773 -2.4371 -2.4371 0.8582 0.8582 2.4294 2.4294 7.6328 7.6328 7.7584 7.7584 10.9679 10.9679 12.7829 12.7829 k = 0.3644 0.2149-0.1326 ( 5281 PWs) bands (ev): -41.4705 -41.4705 -20.2305 -20.2305 -15.9722 -15.9722 -4.9747 -4.9747 -4.0410 -4.0410 -3.7417 -3.7417 -2.4653 -2.4653 0.8249 0.8249 2.4289 2.4289 7.6076 7.6076 7.7338 7.7338 11.0184 11.0184 12.7960 12.7960 k = 0.3729 0.2199-0.1357 ( 5279 PWs) bands (ev): -41.4704 -41.4704 -20.2255 -20.2255 -15.9705 -15.9705 -4.9943 -4.9943 -4.0488 -4.0488 -3.7051 -3.7051 -2.4945 -2.4945 0.7935 0.7935 2.4284 2.4284 7.5831 7.5831 7.7104 7.7104 11.0639 11.0639 12.8133 12.8133 k = 0.3814 0.2249-0.1387 ( 5279 PWs) bands (ev): -41.4703 -41.4703 -20.2208 -20.2208 -15.9689 -15.9689 -5.0131 -5.0131 -4.0561 -4.0561 -3.6677 -3.6677 -2.5246 -2.5246 0.7639 0.7639 2.4281 2.4281 7.5595 7.5595 7.6882 7.6882 11.1042 11.1042 12.8347 12.8347 k = 0.3898 0.2299-0.1418 ( 5280 PWs) bands (ev): -41.4701 -41.4701 -20.2163 -20.2163 -15.9674 -15.9674 -5.0310 -5.0310 -4.0630 -4.0630 -3.6295 -3.6295 -2.5556 -2.5556 0.7362 0.7362 2.4278 2.4278 7.5369 7.5369 7.6673 7.6673 11.1394 11.1394 12.8602 12.8602 k = 0.3983 0.2349-0.1449 ( 5278 PWs) bands (ev): -41.4700 -41.4700 -20.2121 -20.2121 -15.9659 -15.9659 -5.0479 -5.0479 -4.0695 -4.0695 -3.5909 -3.5909 -2.5874 -2.5874 0.7104 0.7104 2.4275 2.4275 7.5154 7.5154 7.6476 7.6476 11.1696 11.1696 12.8891 12.8891 k = 0.4068 0.2399-0.1480 ( 5274 PWs) bands (ev): -41.4699 -41.4699 -20.2082 -20.2082 -15.9646 -15.9646 -5.0638 -5.0638 -4.0756 -4.0756 -3.5518 -3.5518 -2.6200 -2.6200 0.6866 0.6866 2.4273 2.4273 7.4951 7.4951 7.6294 7.6294 11.1953 11.1953 12.9210 12.9210 k = 0.4153 0.2449-0.1511 ( 5272 PWs) bands (ev): -41.4698 -41.4698 -20.2046 -20.2046 -15.9634 -15.9634 -5.0785 -5.0785 -4.0811 -4.0811 -3.5125 -3.5125 -2.6533 -2.6533 0.6648 0.6648 2.4271 2.4271 7.4762 7.4762 7.6125 7.6125 11.2167 11.2167 12.9551 12.9551 k = 0.4237 0.2499-0.1542 ( 5272 PWs) bands (ev): -41.4698 -41.4698 -20.2013 -20.2013 -15.9623 -15.9623 -5.0920 -5.0920 -4.0862 -4.0862 -3.4731 -3.4731 -2.6871 -2.6871 0.6451 0.6451 2.4269 2.4269 7.4588 7.4588 7.5972 7.5972 11.2343 11.2343 12.9905 12.9905 k = 0.4322 0.2549-0.1572 ( 5274 PWs) bands (ev): -41.4697 -41.4697 -20.1983 -20.1983 -15.9613 -15.9613 -5.1042 -5.1042 -4.0908 -4.0908 -3.4339 -3.4339 -2.7212 -2.7212 0.6273 0.6273 2.4268 2.4268 7.4429 7.4429 7.5833 7.5833 11.2486 11.2486 13.0263 13.0263 k = 0.4407 0.2599-0.1603 ( 5274 PWs) bands (ev): -41.4696 -41.4696 -20.1957 -20.1957 -15.9604 -15.9604 -5.1151 -5.1151 -4.0948 -4.0948 -3.3951 -3.3951 -2.7555 -2.7555 0.6116 0.6116 2.4267 2.4267 7.4287 7.4287 7.5710 7.5710 11.2600 11.2600 13.0614 13.0614 k = 0.4492 0.2649-0.1634 ( 5272 PWs) bands (ev): -41.4695 -41.4695 -20.1933 -20.1933 -15.9596 -15.9596 -5.1247 -5.1247 -4.0983 -4.0983 -3.3570 -3.3570 -2.7896 -2.7896 0.5980 0.5980 2.4266 2.4266 7.4162 7.4162 7.5603 7.5603 11.2689 11.2689 13.0948 13.0948 k = 0.4576 0.2699-0.1665 ( 5274 PWs) bands (ev): -41.4695 -41.4695 -20.1914 -20.1914 -15.9589 -15.9589 -5.1328 -5.1328 -4.1014 -4.1014 -3.3202 -3.3202 -2.8229 -2.8229 0.5865 0.5865 2.4266 2.4266 7.4055 7.4055 7.5511 7.5511 11.2758 11.2758 13.1254 13.1254 k = 0.4661 0.2749-0.1696 ( 5276 PWs) bands (ev): -41.4695 -41.4695 -20.1897 -20.1897 -15.9584 -15.9584 -5.1395 -5.1395 -4.1038 -4.1038 -3.2855 -3.2855 -2.8548 -2.8548 0.5771 0.5771 2.4265 2.4265 7.3966 7.3966 7.5436 7.5436 11.2809 11.2809 13.1522 13.1522 k = 0.4746 0.2799-0.1727 ( 5273 PWs) bands (ev): -41.4694 -41.4694 -20.1885 -20.1885 -15.9580 -15.9580 -5.1447 -5.1447 -4.1058 -4.1058 -3.2541 -3.2541 -2.8840 -2.8840 0.5697 0.5697 2.4265 2.4265 7.3897 7.3897 7.5378 7.5378 11.2846 11.2846 13.1742 13.1742 k = 0.4831 0.2849-0.1757 ( 5272 PWs) bands (ev): -41.4694 -41.4694 -20.1876 -20.1876 -15.9577 -15.9577 -5.1485 -5.1485 -4.1071 -4.1071 -3.2280 -3.2280 -2.9086 -2.9086 0.5645 0.5645 2.4265 2.4265 7.3848 7.3848 7.5336 7.5336 11.2871 11.2871 13.1905 13.1905 k = 0.4915 0.2899-0.1788 ( 5272 PWs) bands (ev): -41.4694 -41.4694 -20.1870 -20.1870 -15.9575 -15.9575 -5.1507 -5.1507 -4.1080 -4.1080 -3.2101 -3.2101 -2.9255 -2.9255 0.5613 0.5613 2.4265 2.4265 7.3818 7.3818 7.5311 7.5311 11.2885 11.2885 13.2006 13.2006 k = 0.5000 0.2949-0.1819 ( 5274 PWs) bands (ev): -41.4694 -41.4694 -20.1868 -20.1868 -15.9574 -15.9574 -5.1515 -5.1515 -4.1082 -4.1082 -3.2037 -3.2037 -2.9316 -2.9316 0.5602 0.5602 2.4265 2.4265 7.3808 7.3808 7.5302 7.5302 11.2890 11.2890 13.2040 13.2040 k = 0.5000 0.2949-0.1819 ( 5274 PWs) bands (ev): -41.4694 -41.4694 -20.1868 -20.1868 -15.9574 -15.9574 -5.1515 -5.1515 -4.1082 -4.1082 -3.2037 -3.2037 -2.9316 -2.9316 0.5602 0.5602 2.4265 2.4265 7.3808 7.3808 7.5302 7.5302 11.2890 11.2890 13.2040 13.2040 k = 0.5026 0.2964-0.1724 ( 5272 PWs) bands (ev): -41.4694 -41.4694 -20.1868 -20.1868 -15.9574 -15.9574 -5.1515 -5.1515 -4.1081 -4.1081 -3.2088 -3.2088 -2.9267 -2.9267 0.5618 0.5618 2.4253 2.4253 7.3785 7.3785 7.5324 7.5324 11.2872 11.2872 13.2026 13.2026 k = 0.5051 0.2979-0.1629 ( 5271 PWs) bands (ev): -41.4694 -41.4694 -20.1869 -20.1869 -15.9574 -15.9574 -5.1515 -5.1515 -4.1076 -4.1076 -3.2234 -3.2234 -2.9129 -2.9129 0.5665 0.5665 2.4218 2.4218 7.3719 7.3719 7.5389 7.5389 11.2820 11.2820 13.1985 13.1985 k = 0.5077 0.2995-0.1534 ( 5279 PWs) bands (ev): -41.4694 -41.4694 -20.1870 -20.1870 -15.9574 -15.9574 -5.1515 -5.1515 -4.1067 -4.1067 -3.2451 -3.2451 -2.8923 -2.8923 0.5744 0.5744 2.4161 2.4161 7.3608 7.3608 7.5498 7.5498 11.2734 11.2734 13.1919 13.1919 k = 0.5103 0.3010-0.1438 ( 5281 PWs) bands (ev): -41.4694 -41.4694 -20.1871 -20.1871 -15.9573 -15.9573 -5.1515 -5.1515 -4.1056 -4.1056 -3.2719 -3.2719 -2.8671 -2.8671 0.5852 0.5852 2.4082 2.4082 7.3456 7.3456 7.5649 7.5649 11.2614 11.2614 13.1831 13.1831 k = 0.5128 0.3025-0.1343 ( 5285 PWs) bands (ev): -41.4694 -41.4694 -20.1873 -20.1873 -15.9572 -15.9572 -5.1515 -5.1515 -4.1041 -4.1041 -3.3022 -3.3022 -2.8389 -2.8389 0.5989 0.5989 2.3981 2.3981 7.3263 7.3263 7.5840 7.5840 11.2462 11.2462 13.1724 13.1724 k = 0.5154 0.3040-0.1248 ( 5284 PWs) bands (ev): -41.4694 -41.4694 -20.1875 -20.1875 -15.9571 -15.9571 -5.1515 -5.1515 -4.1023 -4.1023 -3.3349 -3.3349 -2.8085 -2.8085 0.6154 0.6154 2.3861 2.3861 7.3031 7.3031 7.6072 7.6072 11.2278 11.2278 13.1601 13.1601 k = 0.5180 0.3055-0.1153 ( 5285 PWs) bands (ev): -41.4694 -41.4694 -20.1878 -20.1878 -15.9570 -15.9570 -5.1514 -5.1514 -4.1002 -4.1002 -3.3693 -3.3693 -2.7767 -2.7767 0.6344 0.6344 2.3722 2.3722 7.2764 7.2764 7.6341 7.6341 11.2066 11.2066 13.1467 13.1467 k = 0.5206 0.3070-0.1058 ( 5281 PWs) bands (ev): -41.4694 -41.4694 -20.1881 -20.1881 -15.9568 -15.9568 -5.1513 -5.1513 -4.0979 -4.0979 -3.4050 -3.4050 -2.7439 -2.7439 0.6559 0.6559 2.3565 2.3565 7.2465 7.2465 7.6646 7.6646 11.1825 11.1825 13.1324 13.1324 k = 0.5231 0.3086-0.0962 ( 5283 PWs) bands (ev): -41.4694 -41.4694 -20.1884 -20.1884 -15.9566 -15.9566 -5.1510 -5.1510 -4.0952 -4.0952 -3.4415 -3.4415 -2.7103 -2.7103 0.6795 0.6795 2.3393 2.3393 7.2136 7.2136 7.6985 7.6985 11.1560 11.1560 13.1175 13.1175 k = 0.5257 0.3101-0.0867 ( 5285 PWs) bands (ev): -41.4694 -41.4694 -20.1888 -20.1888 -15.9564 -15.9564 -5.1507 -5.1507 -4.0923 -4.0923 -3.4787 -3.4787 -2.6761 -2.6761 0.7051 0.7051 2.3207 2.3207 7.1781 7.1781 7.7354 7.7354 11.1272 11.1272 13.1021 13.1021 k = 0.5283 0.3116-0.0772 ( 5288 PWs) bands (ev): -41.4694 -41.4694 -20.1892 -20.1892 -15.9562 -15.9562 -5.1503 -5.1503 -4.0892 -4.0892 -3.5164 -3.5164 -2.6415 -2.6415 0.7324 0.7324 2.3009 2.3009 7.1405 7.1405 7.7752 7.7752 11.0963 11.0963 13.0865 13.0865 k = 0.5308 0.3131-0.0677 ( 5288 PWs) bands (ev): -41.4695 -41.4695 -20.1896 -20.1896 -15.9560 -15.9560 -5.1497 -5.1497 -4.0858 -4.0858 -3.5543 -3.5543 -2.6064 -2.6064 0.7611 0.7611 2.2800 2.2800 7.1011 7.1011 7.8175 7.8175 11.0637 11.0637 13.0707 13.0707 k = 0.5334 0.3146-0.0582 ( 5286 PWs) bands (ev): -41.4695 -41.4695 -20.1901 -20.1901 -15.9557 -15.9557 -5.1490 -5.1490 -4.0823 -4.0823 -3.5923 -3.5923 -2.5711 -2.5711 0.7910 0.7910 2.2583 2.2583 7.0603 7.0603 7.8621 7.8621 11.0296 11.0296 13.0550 13.0550 k = 0.5360 0.3161-0.0486 ( 5288 PWs) bands (ev): -41.4695 -41.4695 -20.1906 -20.1906 -15.9555 -15.9555 -5.1482 -5.1482 -4.0785 -4.0785 -3.6303 -3.6303 -2.5356 -2.5356 0.8218 0.8218 2.2359 2.2359 7.0186 7.0186 7.9086 7.9086 10.9944 10.9944 13.0394 13.0394 k = 0.5385 0.3177-0.0391 ( 5288 PWs) bands (ev): -41.4695 -41.4695 -20.1912 -20.1912 -15.9552 -15.9552 -5.1472 -5.1472 -4.0746 -4.0746 -3.6682 -3.6682 -2.5000 -2.5000 0.8532 0.8532 2.2131 2.2131 6.9763 6.9763 7.9566 7.9566 10.9582 10.9582 13.0240 13.0240 k = 0.5411 0.3192-0.0296 ( 5288 PWs) bands (ev): -41.4695 -41.4695 -20.1918 -20.1918 -15.9549 -15.9549 -5.1460 -5.1460 -4.0706 -4.0706 -3.7057 -3.7057 -2.4643 -2.4643 0.8849 0.8849 2.1900 2.1900 6.9338 6.9338 8.0060 8.0060 10.9214 10.9214 13.0090 13.0090 k = 0.5437 0.3207-0.0201 ( 5287 PWs) bands (ev): -41.4695 -41.4695 -20.1925 -20.1925 -15.9546 -15.9546 -5.1446 -5.1446 -4.0665 -4.0665 -3.7428 -3.7428 -2.4286 -2.4286 0.9166 0.9166 2.1669 2.1669 6.8917 6.8917 8.0563 8.0563 10.8842 10.8842 12.9944 12.9944 k = 0.5437 0.3207-0.0201 ( 5287 PWs) bands (ev): -41.4695 -41.4695 -20.1925 -20.1925 -15.9546 -15.9546 -5.1446 -5.1446 -4.0665 -4.0665 -3.7428 -3.7428 -2.4286 -2.4286 0.9166 0.9166 2.1669 2.1669 6.8917 6.8917 8.0563 8.0563 10.8842 10.8842 12.9944 12.9944 k = 0.5414 0.3193-0.0105 ( 5287 PWs) bands (ev): -41.4695 -41.4695 -20.1923 -20.1923 -15.9532 -15.9532 -5.1492 -5.1492 -4.0635 -4.0635 -3.7860 -3.7860 -2.3771 -2.3771 0.9339 0.9339 2.1407 2.1407 6.8525 6.8525 8.1084 8.1084 10.8507 10.8507 12.9777 12.9777 k = 0.5391 0.3180-0.0009 ( 5288 PWs) bands (ev): -41.4695 -41.4695 -20.1921 -20.1921 -15.9518 -15.9518 -5.1536 -5.1536 -4.0604 -4.0604 -3.8275 -3.8275 -2.3268 -2.3268 0.9508 0.9508 2.1147 2.1147 6.8143 6.8143 8.1609 8.1609 10.8166 10.8166 12.9639 12.9639 k = 0.5368 0.3166 0.0086 ( 5282 PWs) bands (ev): -41.4695 -41.4695 -20.1920 -20.1920 -15.9504 -15.9504 -5.1578 -5.1578 -4.0574 -4.0574 -3.8672 -3.8672 -2.2780 -2.2780 0.9671 0.9671 2.0892 2.0892 6.7773 6.7773 8.2134 8.2134 10.7821 10.7821 12.9529 12.9529 k = 0.5345 0.3153 0.0182 ( 5281 PWs) bands (ev): -41.4695 -41.4695 -20.1919 -20.1919 -15.9490 -15.9490 -5.1617 -5.1617 -4.0543 -4.0543 -3.9051 -3.9051 -2.2308 -2.2308 0.9827 0.9827 2.0642 2.0642 6.7418 6.7418 8.2656 8.2656 10.7475 10.7475 12.9448 12.9448 k = 0.5322 0.3139 0.0278 ( 5279 PWs) bands (ev): -41.4695 -41.4695 -20.1918 -20.1918 -15.9476 -15.9476 -5.1654 -5.1654 -4.0512 -4.0512 -3.9411 -3.9411 -2.1855 -2.1855 0.9975 0.9975 2.0399 2.0399 6.7079 6.7079 8.3169 8.3169 10.7131 10.7131 12.9395 12.9395 k = 0.5299 0.3125 0.0374 ( 5277 PWs) bands (ev): -41.4694 -41.4694 -20.1918 -20.1918 -15.9463 -15.9463 -5.1689 -5.1689 -4.0482 -4.0482 -3.9750 -3.9750 -2.1421 -2.1421 1.0115 1.0115 2.0166 2.0166 6.6758 6.6758 8.3670 8.3670 10.6793 10.6793 12.9369 12.9369 k = 0.5276 0.3112 0.0469 ( 5273 PWs) bands (ev): -41.4694 -41.4694 -20.1917 -20.1917 -15.9450 -15.9450 -5.1721 -5.1721 -4.0453 -4.0453 -4.0067 -4.0067 -2.1010 -2.1010 1.0246 1.0246 1.9944 1.9944 6.6456 6.6456 8.4154 8.4154 10.6464 10.6464 12.9367 12.9367 k = 0.5253 0.3098 0.0565 ( 5277 PWs) bands (ev): -41.4694 -41.4694 -20.1917 -20.1917 -15.9437 -15.9437 -5.1751 -5.1751 -4.0426 -4.0426 -4.0363 -4.0363 -2.0624 -2.0624 1.0366 1.0366 1.9734 1.9734 6.6175 6.6175 8.4619 8.4619 10.6147 10.6147 12.9387 12.9387 k = 0.5230 0.3085 0.0661 ( 5279 PWs) bands (ev): -41.4694 -41.4694 -20.1917 -20.1917 -15.9425 -15.9425 -5.1778 -5.1778 -4.0636 -4.0636 -4.0399 -4.0399 -2.0263 -2.0263 1.0477 1.0477 1.9538 1.9538 6.5916 6.5916 8.5058 8.5058 10.5845 10.5845 12.9426 12.9426 k = 0.5207 0.3071 0.0757 ( 5277 PWs) bands (ev): -41.4694 -41.4694 -20.1917 -20.1917 -15.9414 -15.9414 -5.1802 -5.1802 -4.0885 -4.0885 -4.0374 -4.0374 -1.9930 -1.9930 1.0577 1.0577 1.9357 1.9357 6.5680 6.5680 8.5470 8.5470 10.5561 10.5561 12.9481 12.9481 k = 0.5184 0.3058 0.0852 ( 5279 PWs) bands (ev): -41.4694 -41.4694 -20.1917 -20.1917 -15.9404 -15.9404 -5.1823 -5.1823 -4.1110 -4.1110 -4.0351 -4.0351 -1.9627 -1.9627 1.0666 1.0666 1.9191 1.9191 6.5466 6.5466 8.5849 8.5849 10.5299 10.5299 12.9548 12.9548 k = 0.5161 0.3044 0.0948 ( 5281 PWs) bands (ev): -41.4694 -41.4694 -20.1917 -20.1917 -15.9394 -15.9394 -5.1841 -5.1841 -4.1310 -4.1310 -4.0330 -4.0330 -1.9355 -1.9355 1.0744 1.0744 1.9043 1.9043 6.5277 6.5277 8.6193 8.6193 10.5061 10.5061 12.9622 12.9622 k = 0.5138 0.3031 0.1044 ( 5282 PWs) bands (ev): -41.4694 -41.4694 -20.1918 -20.1918 -15.9386 -15.9386 -5.1857 -5.1857 -4.1485 -4.1485 -4.0311 -4.0311 -1.9116 -1.9116 1.0812 1.0812 1.8913 1.8913 6.5113 6.5113 8.6498 8.6498 10.4849 10.4849 12.9699 12.9699 k = 0.5115 0.3017 0.1140 ( 5284 PWs) bands (ev): -41.4694 -41.4694 -20.1918 -20.1918 -15.9379 -15.9379 -5.1870 -5.1870 -4.1634 -4.1634 -4.0295 -4.0295 -1.8911 -1.8911 1.0869 1.0869 1.8801 1.8801 6.4973 6.4973 8.6761 8.6761 10.4666 10.4666 12.9774 12.9774 k = 0.5092 0.3003 0.1235 ( 5285 PWs) bands (ev): -41.4694 -41.4694 -20.1918 -20.1918 -15.9373 -15.9373 -5.1881 -5.1881 -4.1756 -4.1756 -4.0282 -4.0282 -1.8741 -1.8741 1.0916 1.0916 1.8709 1.8709 6.4858 6.4858 8.6981 8.6981 10.4513 10.4513 12.9843 12.9843 k = 0.5069 0.2990 0.1331 ( 5288 PWs) bands (ev): -41.4694 -41.4694 -20.1918 -20.1918 -15.9368 -15.9368 -5.1889 -5.1889 -4.1852 -4.1852 -4.0271 -4.0271 -1.8608 -1.8608 1.0952 1.0952 1.8637 1.8637 6.4769 6.4769 8.7153 8.7153 10.4393 10.4393 12.9903 12.9903 k = 0.5046 0.2976 0.1427 ( 5290 PWs) bands (ev): -41.4694 -41.4694 -20.1918 -20.1918 -15.9365 -15.9365 -5.1895 -5.1895 -4.1921 -4.1921 -4.0264 -4.0264 -1.8513 -1.8513 1.0977 1.0977 1.8585 1.8585 6.4705 6.4705 8.7278 8.7278 10.4306 10.4306 12.9948 12.9948 k = 0.5023 0.2963 0.1523 ( 5287 PWs) bands (ev): -41.4694 -41.4694 -20.1918 -20.1918 -15.9363 -15.9363 -5.1899 -5.1899 -4.1962 -4.1962 -4.0259 -4.0259 -1.8455 -1.8455 1.0993 1.0993 1.8554 1.8554 6.4667 6.4667 8.7354 8.7354 10.4253 10.4253 12.9976 12.9976 k = 0.5000 0.2949 0.1618 ( 5288 PWs) bands (ev): -41.4694 -41.4694 -20.1918 -20.1918 -15.9362 -15.9362 -5.1900 -5.1900 -4.1976 -4.1976 -4.0258 -4.0258 -1.8436 -1.8436 1.0998 1.0998 1.8543 1.8543 6.4654 6.4654 8.7379 8.7379 10.4236 10.4236 12.9986 12.9986 k = 0.5000 0.2949 0.1618 ( 5288 PWs) bands (ev): -41.4694 -41.4694 -20.1918 -20.1918 -15.9362 -15.9362 -5.1900 -5.1900 -4.1976 -4.1976 -4.0258 -4.0258 -1.8436 -1.8436 1.0998 1.0998 1.8543 1.8543 6.4654 6.4654 8.7379 8.7379 10.4236 10.4236 12.9986 12.9986 k = 0.5052 0.2861 0.1618 ( 5286 PWs) bands (ev): -41.4694 -41.4694 -20.1918 -20.1918 -15.9362 -15.9362 -5.1895 -5.1895 -4.1976 -4.1976 -4.0262 -4.0262 -1.8440 -1.8440 1.1003 1.1003 1.8532 1.8532 6.4657 6.4657 8.7348 8.7348 10.4278 10.4278 12.9997 12.9997 k = 0.5104 0.2773 0.1618 ( 5292 PWs) bands (ev): -41.4694 -41.4694 -20.1917 -20.1917 -15.9362 -15.9362 -5.1881 -5.1881 -4.1978 -4.1978 -4.0276 -4.0276 -1.8451 -1.8451 1.1020 1.1020 1.8497 1.8497 6.4666 6.4666 8.7257 8.7257 10.4404 10.4404 13.0028 13.0028 k = 0.5156 0.2685 0.1618 ( 5290 PWs) bands (ev): -41.4694 -41.4694 -20.1914 -20.1914 -15.9360 -15.9360 -5.1859 -5.1859 -4.1983 -4.1983 -4.0299 -4.0299 -1.8470 -1.8470 1.1048 1.1048 1.8439 1.8439 6.4682 6.4682 8.7107 8.7107 10.4611 10.4611 13.0081 13.0081 k = 0.5208 0.2597 0.1618 ( 5290 PWs) bands (ev): -41.4694 -41.4694 -20.1911 -20.1911 -15.9359 -15.9359 -5.1827 -5.1827 -4.1991 -4.1991 -4.0327 -4.0327 -1.8497 -1.8497 1.1087 1.1087 1.8360 1.8360 6.4703 6.4703 8.6903 8.6903 10.4896 10.4896 13.0154 13.0154 k = 0.5259 0.2509 0.1618 ( 5294 PWs) bands (ev): -41.4694 -41.4694 -20.1907 -20.1907 -15.9357 -15.9357 -5.1786 -5.1786 -4.2006 -4.2006 -4.0359 -4.0359 -1.8531 -1.8531 1.1136 1.1136 1.8258 1.8258 6.4731 6.4731 8.6649 8.6649 10.5253 10.5253 13.0248 13.0248 k = 0.5311 0.2421 0.1618 ( 5288 PWs) bands (ev): -41.4694 -41.4694 -20.1903 -20.1903 -15.9355 -15.9355 -5.1735 -5.1735 -4.2031 -4.2031 -4.0390 -4.0390 -1.8573 -1.8573 1.1197 1.1197 1.8136 1.8136 6.4765 6.4765 8.6349 8.6349 10.5679 10.5679 13.0363 13.0363 k = 0.5363 0.2333 0.1618 ( 5288 PWs) bands (ev): -41.4693 -41.4693 -20.1897 -20.1897 -15.9352 -15.9352 -5.1676 -5.1676 -4.2069 -4.2069 -4.0417 -4.0417 -1.8623 -1.8623 1.1268 1.1268 1.7993 1.7993 6.4805 6.4805 8.6009 8.6009 10.6166 10.6166 13.0497 13.0497 k = 0.5415 0.2246 0.1618 ( 5286 PWs) bands (ev): -41.4693 -41.4693 -20.1891 -20.1891 -15.9349 -15.9349 -5.1609 -5.1609 -4.2124 -4.2124 -4.0435 -4.0435 -1.8681 -1.8681 1.1350 1.1350 1.7832 1.7832 6.4851 6.4851 8.5634 8.5634 10.6711 10.6711 13.0650 13.0650 k = 0.5467 0.2158 0.1618 ( 5282 PWs) bands (ev): -41.4693 -41.4693 -20.1884 -20.1884 -15.9346 -15.9346 -5.1532 -5.1532 -4.2200 -4.2200 -4.0441 -4.0441 -1.8747 -1.8747 1.1442 1.1442 1.7653 1.7653 6.4903 6.4903 8.5227 8.5227 10.7307 10.7307 13.0823 13.0823 k = 0.5519 0.2070 0.1618 ( 5282 PWs) bands (ev): -41.4693 -41.4693 -20.1877 -20.1877 -15.9342 -15.9342 -5.1446 -5.1446 -4.2298 -4.2298 -4.0431 -4.0431 -1.8821 -1.8821 1.1544 1.1544 1.7458 1.7458 6.4962 6.4962 8.4795 8.4795 10.7949 10.7949 13.1013 13.1013 k = 0.5571 0.1982 0.1618 ( 5284 PWs) bands (ev): -41.4693 -41.4693 -20.1869 -20.1869 -15.9339 -15.9339 -5.1353 -5.1353 -4.2420 -4.2420 -4.0404 -4.0404 -1.8904 -1.8904 1.1657 1.1657 1.7248 1.7248 6.5027 6.5027 8.4340 8.4340 10.8634 10.8634 13.1222 13.1222 k = 0.5623 0.1894 0.1618 ( 5284 PWs) bands (ev): -41.4692 -41.4692 -20.1860 -20.1860 -15.9335 -15.9335 -5.1250 -5.1250 -4.2564 -4.2564 -4.0359 -4.0359 -1.8995 -1.8995 1.1779 1.1779 1.7025 1.7025 6.5098 6.5098 8.3867 8.3867 10.9356 10.9356 13.1447 13.1447 k = 0.5674 0.1806 0.1618 ( 5282 PWs) bands (ev): -41.4692 -41.4692 -20.1852 -20.1852 -15.9331 -15.9331 -5.1140 -5.1140 -4.2730 -4.2730 -4.0297 -4.0297 -1.9095 -1.9095 1.1910 1.1910 1.6790 1.6790 6.5176 6.5176 8.3378 8.3378 11.0111 11.0111 13.1687 13.1687 k = 0.5726 0.1718 0.1618 ( 5280 PWs) bands (ev): -41.4692 -41.4692 -20.1842 -20.1842 -15.9327 -15.9327 -5.1021 -5.1021 -4.2915 -4.2915 -4.0220 -4.0220 -1.9203 -1.9203 1.2051 1.2051 1.6546 1.6546 6.5259 6.5259 8.2876 8.2876 11.0896 11.0896 13.1942 13.1942 k = 0.5778 0.1630 0.1618 ( 5280 PWs) bands (ev): -41.4692 -41.4692 -20.1833 -20.1833 -15.9323 -15.9323 -5.0894 -5.0894 -4.3116 -4.3116 -4.0129 -4.0129 -1.9320 -1.9320 1.2201 1.2201 1.6293 1.6293 6.5349 6.5349 8.2363 8.2363 11.1707 11.1707 13.2211 13.2211 k = 0.5830 0.1542 0.1618 ( 5276 PWs) bands (ev): -41.4692 -41.4692 -20.1824 -20.1824 -15.9319 -15.9319 -5.0759 -5.0759 -4.3332 -4.3332 -4.0025 -4.0025 -1.9446 -1.9446 1.2359 1.2359 1.6034 1.6034 6.5446 6.5446 8.1843 8.1843 11.2540 11.2540 13.2491 13.2491 k = 0.5882 0.1454 0.1618 ( 5278 PWs) bands (ev): -41.4691 -41.4691 -20.1814 -20.1814 -15.9315 -15.9315 -5.0617 -5.0617 -4.3559 -4.3559 -3.9910 -3.9910 -1.9582 -1.9582 1.2526 1.2526 1.5770 1.5770 6.5549 6.5549 8.1317 8.1317 11.3391 11.3391 13.2782 13.2782 k = 0.5934 0.1366 0.1618 ( 5282 PWs) bands (ev): -41.4691 -41.4691 -20.1805 -20.1805 -15.9311 -15.9311 -5.0467 -5.0467 -4.3797 -4.3797 -3.9784 -3.9784 -1.9726 -1.9726 1.2700 1.2700 1.5504 1.5504 6.5658 6.5658 8.0786 8.0786 11.4259 11.4259 13.3081 13.3081 k = 0.5986 0.1278 0.1618 ( 5284 PWs) bands (ev): -41.4691 -41.4691 -20.1796 -20.1796 -15.9308 -15.9308 -5.0310 -5.0310 -4.4042 -4.4042 -3.9649 -3.9649 -1.9880 -1.9880 1.2883 1.2883 1.5236 1.5236 6.5773 6.5773 8.0254 8.0254 11.5139 11.5139 13.3386 13.3386 k = 0.6038 0.1190 0.1618 ( 5284 PWs) bands (ev): -41.4691 -41.4691 -20.1787 -20.1787 -15.9305 -15.9305 -5.0146 -5.0146 -4.4294 -4.4294 -3.9506 -3.9506 -2.0043 -2.0043 1.3072 1.3072 1.4970 1.4970 6.5895 6.5895 7.9721 7.9721 11.6028 11.6028 13.3694 13.3694 k = 0.6089 0.1102 0.1618 ( 5288 PWs) bands (ev): -41.4691 -41.4691 -20.1779 -20.1779 -15.9302 -15.9302 -4.9976 -4.9976 -4.4550 -4.4550 -3.9355 -3.9355 -2.0216 -2.0216 1.3269 1.3269 1.4706 1.4706 6.6024 6.6024 7.9189 7.9189 11.6923 11.6923 13.4001 13.4001 k = 0.6141 0.1014 0.1618 ( 5292 PWs) bands (ev): -41.4690 -41.4690 -20.1771 -20.1771 -15.9299 -15.9299 -4.9798 -4.9798 -4.4809 -4.4809 -3.9196 -3.9196 -2.0399 -2.0399 1.3472 1.3472 1.4446 1.4446 6.6159 6.6159 7.8660 7.8660 11.7821 11.7821 13.4306 13.4306 k = 0.6193 0.0926 0.1618 ( 5296 PWs) bands (ev): -41.4690 -41.4690 -20.1763 -20.1763 -15.9297 -15.9297 -4.9615 -4.9615 -4.5069 -4.5069 -3.9032 -3.9032 -2.0590 -2.0590 1.3679 1.3679 1.4194 1.4194 6.6300 6.6300 7.8135 7.8135 11.8720 11.8720 13.4602 13.4602 k = 0.6245 0.0838 0.1618 ( 5292 PWs) bands (ev): -41.4690 -41.4690 -20.1757 -20.1757 -15.9296 -15.9296 -4.9425 -4.9425 -4.5329 -4.5329 -3.8861 -3.8861 -2.0792 -2.0792 1.3863 1.3863 1.3979 1.3979 6.6448 6.6448 7.7616 7.7616 11.9617 11.9617 13.4885 13.4885 k = 0.6297 0.0750 0.1618 ( 5294 PWs) bands (ev): -41.4690 -41.4690 -20.1751 -20.1751 -15.9296 -15.9296 -4.9230 -4.9230 -4.5588 -4.5588 -3.8686 -3.8686 -2.1003 -2.1003 1.3696 1.3696 1.4129 1.4129 6.6602 6.6602 7.7103 7.7103 12.0509 12.0509 13.5150 13.5150 k = 0.6349 0.0662 0.1618 ( 5286 PWs) bands (ev): -41.4690 -41.4690 -20.1746 -20.1746 -15.9296 -15.9296 -4.9029 -4.9029 -4.5843 -4.5843 -3.8506 -3.8506 -2.1223 -2.1223 1.3471 1.3471 1.4353 1.4353 6.6763 6.6763 7.6598 7.6598 12.1394 12.1394 13.5390 13.5390 k = 0.6401 0.0574 0.1618 ( 5282 PWs) bands (ev): -41.4690 -41.4690 -20.1743 -20.1743 -15.9296 -15.9296 -4.8823 -4.8823 -4.6095 -4.6095 -3.8321 -3.8321 -2.1453 -2.1453 1.3255 1.3255 1.4584 1.4584 6.6931 6.6931 7.6103 7.6103 12.2270 12.2270 13.5600 13.5600 k = 0.6453 0.0486 0.1618 ( 5290 PWs) bands (ev): -41.4690 -41.4690 -20.1740 -20.1740 -15.9298 -15.9298 -4.8612 -4.8612 -4.6341 -4.6341 -3.8134 -3.8134 -2.1691 -2.1691 1.3050 1.3050 1.4819 1.4819 6.7104 6.7104 7.5618 7.5618 12.3136 12.3136 13.5770 13.5770 k = 0.6504 0.0398 0.1618 ( 5292 PWs) bands (ev): -41.4690 -41.4690 -20.1739 -20.1739 -15.9301 -15.9301 -4.8396 -4.8396 -4.6580 -4.6580 -3.7943 -3.7943 -2.1938 -2.1938 1.2860 1.2860 1.5060 1.5060 6.7285 6.7285 7.5145 7.5145 12.3989 12.3989 13.5894 13.5894 k = 0.6556 0.0311 0.1618 ( 5298 PWs) bands (ev): -41.4690 -41.4690 -20.1739 -20.1739 -15.9304 -15.9304 -4.8176 -4.8176 -4.6811 -4.6811 -3.7749 -3.7749 -2.2194 -2.2194 1.2684 1.2684 1.5304 1.5304 6.7472 6.7472 7.4684 7.4684 12.4828 12.4828 13.5964 13.5964 k = 0.6608 0.0223 0.1618 ( 5296 PWs) bands (ev): -41.4690 -41.4690 -20.1741 -20.1741 -15.9309 -15.9309 -4.7953 -4.7953 -4.7034 -4.7034 -3.7554 -3.7554 -2.2459 -2.2459 1.2524 1.2524 1.5551 1.5551 6.7665 6.7665 7.4238 7.4238 12.5652 12.5652 13.5973 13.5973 k = 0.6660 0.0135 0.1618 ( 5300 PWs) bands (ev): -41.4690 -41.4690 -20.1744 -20.1744 -15.9314 -15.9314 -4.7728 -4.7728 -4.7244 -4.7244 -3.7356 -3.7356 -2.2731 -2.2731 1.2380 1.2380 1.5801 1.5801 6.7864 6.7864 7.3806 7.3806 12.6459 12.6459 13.5913 13.5913 k = 0.6712 0.0047 0.1618 ( 5296 PWs) bands (ev): -41.4690 -41.4690 -20.1749 -20.1749 -15.9321 -15.9321 -4.7530 -4.7530 -4.7415 -4.7415 -3.7158 -3.7158 -2.3010 -2.3010 1.2253 1.2253 1.6054 1.6054 6.8070 6.8070 7.3391 7.3391 12.7248 12.7248 13.5782 13.5782 k = 0.6764-0.0041 0.1618 ( 5298 PWs) bands (ev): -41.4691 -41.4691 -20.1756 -20.1756 -15.9329 -15.9329 -4.7653 -4.7653 -4.7249 -4.7249 -3.6959 -3.6959 -2.3297 -2.3297 1.2144 1.2144 1.6309 1.6309 6.8283 6.8283 7.2992 7.2992 12.8017 12.8017 13.5575 13.5575 k = 0.6816-0.0129 0.1618 ( 5300 PWs) bands (ev): -41.4691 -41.4691 -20.1764 -20.1764 -15.9338 -15.9338 -4.7828 -4.7828 -4.7016 -4.7016 -3.6760 -3.6760 -2.3590 -2.3590 1.2053 1.2053 1.6566 1.6566 6.8501 6.8501 7.2611 7.2611 12.8762 12.8762 13.5293 13.5293 k = 0.6868-0.0217 0.1618 ( 5298 PWs) bands (ev): -41.4691 -41.4691 -20.1775 -20.1775 -15.9349 -15.9349 -4.7993 -4.7993 -4.6778 -4.6778 -3.6562 -3.6562 -2.3890 -2.3890 1.1981 1.1981 1.6824 1.6824 6.8726 6.8726 7.2249 7.2249 12.9476 12.9476 13.4943 13.4943 k = 0.3132-0.5311 0.3438 ( 5298 PWs) bands (ev): -41.4691 -41.4691 -20.1775 -20.1775 -15.9349 -15.9349 -4.7993 -4.7993 -4.6778 -4.6778 -3.6562 -3.6562 -2.3890 -2.3890 1.1981 1.1981 1.6824 1.6824 6.8726 6.8726 7.2249 7.2249 12.9476 12.9476 13.4943 13.4943 k = 0.3080-0.5222 0.3438 ( 5294 PWs) bands (ev): -41.4692 -41.4692 -20.1787 -20.1787 -15.9361 -15.9361 -4.8146 -4.8146 -4.6536 -4.6536 -3.6363 -3.6363 -2.4196 -2.4196 1.1928 1.1928 1.7085 1.7085 6.8958 6.8958 7.1904 7.1904 13.0151 13.0151 13.4537 13.4537 k = 0.3028-0.5134 0.3438 ( 5298 PWs) bands (ev): -41.4692 -41.4692 -20.1802 -20.1802 -15.9374 -15.9374 -4.8284 -4.8284 -4.6292 -4.6292 -3.6166 -3.6166 -2.4508 -2.4508 1.1894 1.1894 1.7346 1.7346 6.9197 6.9197 7.1580 7.1580 13.0746 13.0746 13.4115 13.4115 k = 0.2976-0.5045 0.3438 ( 5300 PWs) bands (ev): -41.4693 -41.4693 -20.1819 -20.1819 -15.9388 -15.9388 -4.8407 -4.8407 -4.6047 -4.6047 -3.5970 -3.5970 -2.4825 -2.4825 1.1880 1.1880 1.7607 1.7607 6.9441 6.9441 7.1277 7.1277 13.1171 13.1171 13.3773 13.3773 k = 0.2924-0.4957 0.3438 ( 5300 PWs) bands (ev): -41.4693 -41.4693 -20.1837 -20.1837 -15.9404 -15.9404 -4.8515 -4.8515 -4.5800 -4.5800 -3.5777 -3.5777 -2.5145 -2.5145 1.1886 1.1886 1.7869 1.7869 6.9690 6.9690 7.0996 7.0996 13.1243 13.1243 13.3699 13.3699 k = 0.2871-0.4868 0.3438 ( 5296 PWs) bands (ev): -41.4694 -41.4694 -20.1859 -20.1859 -15.9422 -15.9422 -4.8606 -4.8606 -4.5554 -4.5554 -3.5587 -3.5587 -2.5468 -2.5468 1.1912 1.1912 1.8129 1.8129 6.9945 6.9945 7.0739 7.0739 13.0880 13.0880 13.3982 13.3982 k = 0.2819-0.4780 0.3438 ( 5302 PWs) bands (ev): -41.4694 -41.4694 -20.1882 -20.1882 -15.9441 -15.9441 -4.8680 -4.8680 -4.5307 -4.5307 -3.5400 -3.5400 -2.5794 -2.5794 1.1958 1.1958 1.8389 1.8389 7.0199 7.0199 7.0511 7.0511 13.0236 13.0236 13.4477 13.4477 k = 0.2767-0.4691 0.3438 ( 5298 PWs) bands (ev): -41.4695 -41.4695 -20.1907 -20.1907 -15.9461 -15.9461 -4.8738 -4.8738 -4.5060 -4.5060 -3.5216 -3.5216 -2.6122 -2.6122 1.2024 1.2024 1.8647 1.8647 7.0268 7.0268 7.0497 7.0497 12.9442 12.9442 13.5055 13.5055 k = 0.2715-0.4603 0.3438 ( 5304 PWs) bands (ev): -41.4696 -41.4696 -20.1935 -20.1935 -15.9483 -15.9483 -4.8778 -4.8778 -4.4814 -4.4814 -3.5037 -3.5037 -2.6451 -2.6451 1.2109 1.2109 1.8904 1.8904 7.0092 7.0092 7.0758 7.0758 12.8559 12.8559 13.5664 13.5664 k = 0.2663-0.4514 0.3438 ( 5298 PWs) bands (ev): -41.4697 -41.4697 -20.1965 -20.1965 -15.9506 -15.9506 -4.8800 -4.8800 -4.4569 -4.4569 -3.4862 -3.4862 -2.6781 -2.6781 1.2214 1.2214 1.9159 1.9159 6.9931 6.9931 7.1033 7.1033 12.7613 12.7613 13.5927 13.5927 k = 0.2610-0.4425 0.3438 ( 5300 PWs) bands (ev): -41.4698 -41.4698 -20.1997 -20.1997 -15.9531 -15.9531 -4.8805 -4.8805 -4.4325 -4.4325 -3.4692 -3.4692 -2.7111 -2.7111 1.2338 1.2338 1.9412 1.9412 6.9792 6.9792 7.1315 7.1315 12.6619 12.6619 13.5833 13.5833 k = 0.2558-0.4337 0.3438 ( 5298 PWs) bands (ev): -41.4699 -41.4699 -20.2032 -20.2032 -15.9557 -15.9557 -4.8791 -4.8791 -4.4083 -4.4083 -3.4527 -3.4527 -2.7440 -2.7440 1.2481 1.2481 1.9662 1.9662 6.9679 6.9679 7.1602 7.1602 12.5586 12.5586 13.5750 13.5750 k = 0.2506-0.4248 0.3438 ( 5296 PWs) bands (ev): -41.4700 -41.4700 -20.2068 -20.2068 -15.9585 -15.9585 -4.8759 -4.8759 -4.3843 -4.3843 -3.4367 -3.4367 -2.7767 -2.7767 1.2642 1.2642 1.9909 1.9909 6.9590 6.9590 7.1894 7.1894 12.4521 12.4521 13.5678 13.5678 k = 0.2454-0.4160 0.3438 ( 5296 PWs) bands (ev): -41.4701 -41.4701 -20.2107 -20.2107 -15.9614 -15.9614 -4.8709 -4.8709 -4.3606 -4.3606 -3.4214 -3.4214 -2.8093 -2.8093 1.2822 1.2822 2.0152 2.0152 6.9526 6.9526 7.2190 7.2190 12.3430 12.3430 13.5614 13.5614 k = 0.2401-0.4071 0.3438 ( 5302 PWs) bands (ev): -41.4702 -41.4702 -20.2148 -20.2148 -15.9644 -15.9644 -4.8641 -4.8641 -4.3372 -4.3372 -3.4066 -3.4066 -2.8416 -2.8416 1.3019 1.3019 2.0393 2.0393 6.9488 6.9488 7.2490 7.2490 12.2318 12.2318 13.5556 13.5556 k = 0.2349-0.3983 0.3438 ( 5306 PWs) bands (ev): -41.4703 -41.4703 -20.2191 -20.2191 -15.9675 -15.9675 -4.8555 -4.8555 -4.3141 -4.3141 -3.3925 -3.3925 -2.8736 -2.8736 1.3233 1.3233 2.0629 2.0629 6.9475 6.9475 7.2793 7.2793 12.1188 12.1188 13.5501 13.5501 k = 0.2297-0.3894 0.3438 ( 5300 PWs) bands (ev): -41.4705 -41.4705 -20.2236 -20.2236 -15.9708 -15.9708 -4.8451 -4.8451 -4.2914 -4.2914 -3.3790 -3.3790 -2.9053 -2.9053 1.3465 1.3465 2.0861 2.0861 6.9487 6.9487 7.3100 7.3100 12.0043 12.0043 13.5445 13.5445 k = 0.2245-0.3806 0.3438 ( 5296 PWs) bands (ev): -41.4706 -41.4706 -20.2283 -20.2283 -15.9742 -15.9742 -4.8329 -4.8329 -4.2691 -4.2691 -3.3663 -3.3663 -2.9364 -2.9364 1.3712 1.3712 2.1089 2.1089 6.9525 6.9525 7.3410 7.3410 11.8887 11.8887 13.5382 13.5382 k = 0.2193-0.3717 0.3438 ( 5296 PWs) bands (ev): -41.4707 -41.4707 -20.2331 -20.2331 -15.9777 -15.9777 -4.8190 -4.8190 -4.2472 -4.2472 -3.3542 -3.3542 -2.9671 -2.9671 1.3975 1.3975 2.1313 2.1313 6.9587 6.9587 7.3722 7.3722 11.7722 11.7722 13.5310 13.5310 k = 0.2140-0.3629 0.3438 ( 5300 PWs) bands (ev): -41.4709 -41.4709 -20.2381 -20.2381 -15.9813 -15.9813 -4.8033 -4.8033 -4.2258 -4.2258 -3.3428 -3.3428 -2.9973 -2.9973 1.4253 1.4253 2.1531 2.1531 6.9673 6.9673 7.4037 7.4037 11.6551 11.6551 13.5224 13.5224 k = 0.2088-0.3540 0.3438 ( 5298 PWs) bands (ev): -41.4710 -41.4710 -20.2433 -20.2433 -15.9851 -15.9851 -4.7860 -4.7860 -4.2050 -4.2050 -3.3321 -3.3321 -3.0269 -3.0269 1.4546 1.4546 2.1745 2.1745 6.9784 6.9784 7.4353 7.4353 11.5376 11.5376 13.5121 13.5121 k = 0.2036-0.3452 0.3438 ( 5294 PWs) bands (ev): -41.4712 -41.4712 -20.2486 -20.2486 -15.9889 -15.9889 -4.7670 -4.7670 -4.1847 -4.1847 -3.3221 -3.3221 -3.0558 -3.0558 1.4852 1.4852 2.1954 2.1954 6.9918 6.9918 7.4670 7.4670 11.4199 11.4199 13.5000 13.5000 k = 0.1984-0.3363 0.3438 ( 5292 PWs) bands (ev): -41.4713 -41.4713 -20.2541 -20.2541 -15.9928 -15.9928 -4.7465 -4.7465 -4.1651 -4.1651 -3.3129 -3.3129 -3.0840 -3.0840 1.5171 1.5171 2.2157 2.2157 7.0076 7.0076 7.4988 7.4988 11.3022 11.3022 13.4861 13.4861 k = 0.1932-0.3275 0.3438 ( 5288 PWs) bands (ev): -41.4715 -41.4715 -20.2597 -20.2597 -15.9967 -15.9967 -4.7244 -4.7244 -4.1461 -4.1461 -3.3044 -3.3044 -3.1114 -3.1114 1.5503 1.5503 2.2354 2.2354 7.0256 7.0256 7.5307 7.5307 11.1847 11.1847 13.4704 13.4704 k = 0.1879-0.3186 0.3438 ( 5284 PWs) bands (ev): -41.4716 -41.4716 -20.2654 -20.2654 -16.0008 -16.0008 -4.7008 -4.7008 -4.1277 -4.1277 -3.2966 -3.2966 -3.1381 -3.1381 1.5846 1.5846 2.2546 2.2546 7.0457 7.0457 7.5625 7.5625 11.0675 11.0675 13.4532 13.4532 k = 0.1827-0.3098 0.3438 ( 5284 PWs) bands (ev): -41.4718 -41.4718 -20.2712 -20.2712 -16.0049 -16.0049 -4.6758 -4.6758 -4.1101 -4.1101 -3.2895 -3.2895 -3.1639 -3.1639 1.6200 1.6200 2.2733 2.2733 7.0680 7.0680 7.5943 7.5943 10.9508 10.9508 13.4345 13.4345 k = 0.1775-0.3009 0.3438 ( 5284 PWs) bands (ev): -41.4720 -41.4720 -20.2771 -20.2771 -16.0090 -16.0090 -4.6494 -4.6494 -4.0933 -4.0933 -3.2832 -3.2832 -3.1888 -3.1888 1.6563 1.6563 2.2913 2.2913 7.0923 7.0923 7.6260 7.6260 10.8348 10.8348 13.4147 13.4147 k = 0.1723-0.2921 0.3438 ( 5280 PWs) bands (ev): -41.4721 -41.4721 -20.2830 -20.2830 -16.0132 -16.0132 -4.6218 -4.6218 -4.0772 -4.0772 -3.2775 -3.2775 -3.2127 -3.2127 1.6936 1.6936 2.3087 2.3087 7.1186 7.1186 7.6574 7.6574 10.7196 10.7196 13.3938 13.3938 k = 0.1671-0.2832 0.3438 ( 5276 PWs) bands (ev): -41.4723 -41.4723 -20.2890 -20.2890 -16.0174 -16.0174 -4.5930 -4.5930 -4.0620 -4.0620 -3.2725 -3.2725 -3.2356 -3.2356 1.7316 1.7316 2.3255 2.3255 7.1466 7.1466 7.6887 7.6887 10.6054 10.6054 13.3719 13.3719 k = 0.1618-0.2744 0.3438 ( 5276 PWs) bands (ev): -41.4725 -41.4725 -20.2950 -20.2950 -16.0217 -16.0217 -4.5631 -4.5631 -4.0477 -4.0477 -3.2683 -3.2683 -3.2576 -3.2576 1.7704 1.7704 2.3417 2.3417 7.1764 7.1764 7.7196 7.7196 10.4923 10.4923 13.3493 13.3493 k = 0.1566-0.2655 0.3438 ( 5276 PWs) bands (ev): -41.4726 -41.4726 -20.3011 -20.3011 -16.0259 -16.0259 -4.5321 -4.5321 -4.0343 -4.0343 -3.2784 -3.2784 -3.2646 -3.2646 1.8098 1.8098 2.3572 2.3572 7.2078 7.2078 7.7502 7.7502 10.3806 10.3806 13.3259 13.3259 k = 0.1514-0.2567 0.3438 ( 5274 PWs) bands (ev): -41.4728 -41.4728 -20.3071 -20.3071 -16.0302 -16.0302 -4.5002 -4.5002 -4.0218 -4.0218 -3.2981 -3.2981 -3.2617 -3.2617 1.8497 1.8497 2.3722 2.3722 7.2407 7.2407 7.7804 7.7804 10.2703 10.2703 13.3020 13.3020 k = 0.1462-0.2478 0.3438 ( 5270 PWs) bands (ev): -41.4730 -41.4730 -20.3132 -20.3132 -16.0344 -16.0344 -4.4675 -4.4675 -4.0103 -4.0103 -3.3167 -3.3167 -3.2593 -3.2593 1.8900 1.8900 2.3865 2.3865 7.2750 7.2750 7.8102 7.8102 10.1615 10.1615 13.2775 13.2775 k = 0.1410-0.2390 0.3438 ( 5268 PWs) bands (ev): -41.4732 -41.4732 -20.3192 -20.3192 -16.0386 -16.0386 -4.4340 -4.4340 -3.9998 -3.9998 -3.3341 -3.3341 -3.2576 -3.2576 1.9305 1.9305 2.4001 2.4001 7.3105 7.3105 7.8394 7.8394 10.0545 10.0545 13.2525 13.2525 k = 0.1357-0.2301 0.3438 ( 5272 PWs) bands (ev): -41.4733 -41.4733 -20.3252 -20.3252 -16.0428 -16.0428 -4.4000 -4.4000 -3.9903 -3.9903 -3.3502 -3.3502 -3.2565 -3.2565 1.9713 1.9713 2.4132 2.4132 7.3470 7.3470 7.8680 7.8680 9.9495 9.9495 13.2272 13.2272 k = 0.1305-0.2213 0.3438 ( 5274 PWs) bands (ev): -41.4735 -41.4735 -20.3311 -20.3311 -16.0469 -16.0469 -4.3654 -4.3654 -3.9819 -3.9819 -3.3652 -3.3652 -3.2559 -3.2559 2.0120 2.0120 2.4256 2.4256 7.3845 7.3845 7.8960 7.8960 9.8464 9.8464 13.2015 13.2015 k = 0.1253-0.2124 0.3438 ( 5270 PWs) bands (ev): -41.4737 -41.4737 -20.3369 -20.3369 -16.0510 -16.0510 -4.3304 -4.3304 -3.9745 -3.9745 -3.3789 -3.3789 -3.2559 -3.2559 2.0528 2.0528 2.4373 2.4373 7.4227 7.4227 7.9233 7.9233 9.7456 9.7456 13.1755 13.1755 k = 0.1201-0.2036 0.3438 ( 5278 PWs) bands (ev): -41.4738 -41.4738 -20.3426 -20.3426 -16.0550 -16.0550 -4.2951 -4.2951 -3.9681 -3.9681 -3.3914 -3.3914 -3.2565 -3.2565 2.0933 2.0933 2.4485 2.4485 7.4616 7.4616 7.9498 7.9498 9.6472 9.6472 13.1494 13.1494 k = 0.1149-0.1947 0.3438 ( 5270 PWs) bands (ev): -41.4740 -41.4740 -20.3483 -20.3483 -16.0589 -16.0589 -4.2597 -4.2597 -3.9627 -3.9627 -3.4026 -3.4026 -3.2575 -3.2575 2.1334 2.1334 2.4590 2.4590 7.5009 7.5009 7.9756 7.9756 9.5513 9.5513 13.1232 13.1232 k = 0.1096-0.1859 0.3438 ( 5268 PWs) bands (ev): -41.4741 -41.4741 -20.3538 -20.3538 -16.0627 -16.0627 -4.2242 -4.2242 -3.9583 -3.9583 -3.4127 -3.4127 -3.2591 -3.2591 2.1732 2.1732 2.4689 2.4689 7.5404 7.5404 8.0005 8.0005 9.4581 9.4581 13.0969 13.0969 k = 0.1044-0.1770 0.3438 ( 5268 PWs) bands (ev): -41.4743 -41.4743 -20.3591 -20.3591 -16.0664 -16.0664 -4.1889 -4.1889 -3.9549 -3.9549 -3.4216 -3.4216 -3.2611 -3.2611 2.2123 2.2123 2.4783 2.4783 7.5800 7.5800 8.0245 8.0245 9.3677 9.3677 13.0707 13.0707 k = 0.0992-0.1682 0.3438 ( 5262 PWs) bands (ev): -41.4744 -41.4744 -20.3643 -20.3643 -16.0701 -16.0701 -4.1538 -4.1538 -3.9523 -3.9523 -3.4293 -3.4293 -3.2635 -3.2635 2.2507 2.2507 2.4870 2.4870 7.6196 7.6196 8.0475 8.0475 9.2804 9.2804 13.0447 13.0447 k = 0.0940-0.1593 0.3438 ( 5264 PWs) bands (ev): -41.4746 -41.4746 -20.3694 -20.3694 -16.0736 -16.0736 -4.1190 -4.1190 -3.9505 -3.9505 -3.4361 -3.4361 -3.2664 -3.2664 2.2882 2.2882 2.4952 2.4952 7.6588 7.6588 8.0696 8.0696 9.1962 9.1962 13.0190 13.0190 k = 0.0888-0.1505 0.3438 ( 5268 PWs) bands (ev): -41.4747 -41.4747 -20.3742 -20.3742 -16.0769 -16.0769 -4.0847 -4.0847 -3.9495 -3.9495 -3.4418 -3.4418 -3.2697 -3.2697 2.3247 2.3247 2.5028 2.5028 7.6975 7.6975 8.0907 8.0907 9.1153 9.1153 12.9937 12.9937 k = 0.0835-0.1416 0.3438 ( 5266 PWs) bands (ev): -41.4749 -41.4749 -20.3789 -20.3789 -16.0802 -16.0802 -4.0511 -4.0511 -3.9491 -3.9491 -3.4467 -3.4467 -3.2733 -3.2733 2.3601 2.3601 2.5099 2.5099 7.7356 7.7356 8.1107 8.1107 9.0380 9.0380 12.9689 12.9689 k = 0.0783-0.1328 0.3438 ( 5266 PWs) bands (ev): -41.4750 -41.4750 -20.3833 -20.3833 -16.0832 -16.0832 -4.0182 -4.0182 -3.9492 -3.9492 -3.4507 -3.4507 -3.2774 -3.2774 2.3941 2.3941 2.5165 2.5165 7.7728 7.7728 8.1296 8.1296 8.9642 8.9642 12.9447 12.9447 k = 0.0731-0.1239 0.3438 ( 5260 PWs) bands (ev): -41.4751 -41.4751 -20.3875 -20.3875 -16.0862 -16.0862 -3.9865 -3.9865 -3.9497 -3.9497 -3.4541 -3.4541 -3.2817 -3.2817 2.4267 2.4267 2.5225 2.5225 7.8089 7.8089 8.1473 8.1473 8.8942 8.8942 12.9213 12.9213 k = 0.0679-0.1151 0.3438 ( 5270 PWs) bands (ev): -41.4752 -41.4752 -20.3915 -20.3915 -16.0889 -16.0889 -3.9579 -3.9579 -3.9483 -3.9483 -3.4567 -3.4567 -3.2863 -3.2863 2.4577 2.4577 2.5282 2.5282 7.8438 7.8438 8.1640 8.1640 8.8281 8.8281 12.8988 12.8988 k = 0.0626-0.1062 0.3438 ( 5272 PWs) bands (ev): -41.4753 -41.4753 -20.3952 -20.3952 -16.0915 -16.0915 -3.9534 -3.9534 -3.9245 -3.9245 -3.4588 -3.4588 -3.2912 -3.2912 2.4868 2.4868 2.5335 2.5335 7.8772 7.8772 8.1794 8.1794 8.7661 8.7661 12.8773 12.8773 k = 0.0574-0.0974 0.3438 ( 5278 PWs) bands (ev): -41.4755 -41.4755 -20.3987 -20.3987 -16.0939 -16.0939 -3.9546 -3.9546 -3.8964 -3.8964 -3.4605 -3.4605 -3.2963 -3.2963 2.5135 2.5135 2.5389 2.5389 7.9091 7.9091 8.1937 8.1937 8.7082 8.7082 12.8569 12.8569 k = 0.0522-0.0885 0.3438 ( 5274 PWs) bands (ev): -41.4755 -41.4755 -20.4019 -20.4019 -16.0962 -16.0962 -3.9563 -3.9563 -3.8696 -3.8696 -3.4617 -3.4617 -3.3015 -3.3015 2.5345 2.5345 2.5477 2.5477 7.9392 7.9392 8.2068 8.2068 8.6546 8.6546 12.8379 12.8379 k = 0.0470-0.0797 0.3438 ( 5282 PWs) bands (ev): -41.4756 -41.4756 -20.4048 -20.4048 -16.0982 -16.0982 -3.9580 -3.9580 -3.8444 -3.8444 -3.4626 -3.4626 -3.3068 -3.3068 2.5428 2.5428 2.5667 2.5667 7.9673 7.9673 8.2186 8.2186 8.6054 8.6054 12.8202 12.8202 k = 0.0418-0.0708 0.3438 ( 5286 PWs) bands (ev): -41.4757 -41.4757 -20.4075 -20.4075 -16.1000 -16.1000 -3.9598 -3.9598 -3.8211 -3.8211 -3.4633 -3.4633 -3.3121 -3.3121 2.5469 2.5469 2.5872 2.5872 7.9934 7.9934 8.2292 8.2292 8.5606 8.5606 12.8040 12.8040 k = 0.0365-0.0620 0.3438 ( 5286 PWs) bands (ev): -41.4758 -41.4758 -20.4098 -20.4098 -16.1017 -16.1017 -3.9614 -3.9614 -3.7997 -3.7997 -3.4637 -3.4637 -3.3172 -3.3172 2.5500 2.5500 2.6061 2.6061 8.0172 8.0172 8.2385 8.2385 8.5205 8.5205 12.7894 12.7894 k = 0.0313-0.0531 0.3438 ( 5292 PWs) bands (ev): -41.4758 -41.4758 -20.4119 -20.4119 -16.1031 -16.1031 -3.9630 -3.9630 -3.7806 -3.7806 -3.4640 -3.4640 -3.3221 -3.3221 2.5525 2.5525 2.6228 2.6228 8.0386 8.0386 8.2466 8.2466 8.4851 8.4851 12.7766 12.7766 k = 0.0261-0.0443 0.3438 ( 5292 PWs) bands (ev): -41.4759 -41.4759 -20.4136 -20.4136 -16.1043 -16.1043 -3.9644 -3.9644 -3.7639 -3.7639 -3.4641 -3.4641 -3.3267 -3.3267 2.5546 2.5546 2.6371 2.6371 8.0574 8.0574 8.2534 8.2534 8.4545 8.4545 12.7656 12.7656 k = 0.0209-0.0354 0.3438 ( 5282 PWs) bands (ev): -41.4759 -41.4759 -20.4150 -20.4150 -16.1053 -16.1053 -3.9656 -3.9656 -3.7499 -3.7499 -3.4642 -3.4642 -3.3307 -3.3307 2.5563 2.5563 2.6489 2.6489 8.0734 8.0734 8.2590 8.2590 8.4289 8.4289 12.7565 12.7565 k = 0.0157-0.0266 0.3438 ( 5284 PWs) bands (ev): -41.4760 -41.4760 -20.4162 -20.4162 -16.1061 -16.1061 -3.9666 -3.9666 -3.7387 -3.7387 -3.4643 -3.4643 -3.3340 -3.3340 2.5576 2.5576 2.6582 2.6582 8.0864 8.0864 8.2633 8.2633 8.4086 8.4086 12.7493 12.7493 k = 0.0104-0.0177 0.3438 ( 5282 PWs) bands (ev): -41.4760 -41.4760 -20.4170 -20.4170 -16.1066 -16.1066 -3.9673 -3.9673 -3.7306 -3.7306 -3.4643 -3.4643 -3.3366 -3.3366 2.5585 2.5585 2.6648 2.6648 8.0961 8.0961 8.2663 8.2663 8.3938 8.3938 12.7442 12.7442 k = 0.0052-0.0089 0.3438 ( 5280 PWs) bands (ev): -41.4760 -41.4760 -20.4174 -20.4174 -16.1070 -16.1070 -3.9677 -3.9677 -3.7256 -3.7256 -3.4643 -3.4643 -3.3381 -3.3381 2.5591 2.5591 2.6688 2.6688 8.1020 8.1020 8.2681 8.2681 8.3848 8.3848 12.7410 12.7410 k = 0.0000 0.0000 0.3438 ( 5278 PWs) bands (ev): -41.4760 -41.4760 -20.4176 -20.4176 -16.1071 -16.1071 -3.9679 -3.9679 -3.7240 -3.7240 -3.4643 -3.4643 -3.3387 -3.3387 2.5592 2.5592 2.6702 2.6702 8.1040 8.1040 8.2687 8.2687 8.3818 8.3818 12.7400 12.7400 k = 0.0000 0.0000 0.3438 ( 5278 PWs) bands (ev): -41.4760 -41.4760 -20.4176 -20.4176 -16.1071 -16.1071 -3.9679 -3.9679 -3.7240 -3.7240 -3.4643 -3.4643 -3.3387 -3.3387 2.5592 2.5592 2.6702 2.6702 8.1040 8.1040 8.2687 8.2687 8.3818 8.3818 12.7400 12.7400 k = 0.0089 0.0053 0.3438 ( 5277 PWs) bands (ev): -41.4760 -41.4760 -20.4174 -20.4174 -16.1070 -16.1070 -3.9683 -3.9683 -3.7243 -3.7243 -3.4655 -3.4655 -3.3378 -3.3378 2.5582 2.5582 2.6698 2.6698 8.0980 8.0980 8.2757 8.2757 8.3814 8.3814 12.7410 12.7410 k = 0.0179 0.0106 0.3438 ( 5281 PWs) bands (ev): -41.4760 -41.4760 -20.4169 -20.4169 -16.1066 -16.1066 -3.9697 -3.9697 -3.7251 -3.7251 -3.4691 -3.4691 -3.3351 -3.3351 2.5552 2.5552 2.6686 2.6686 8.0824 8.0824 8.2946 8.2946 8.3804 8.3804 12.7441 12.7441 k = 0.0268 0.0158 0.3438 ( 5277 PWs) bands (ev): -41.4760 -41.4760 -20.4160 -20.4160 -16.1061 -16.1061 -3.9720 -3.9720 -3.7266 -3.7266 -3.4748 -3.4748 -3.3310 -3.3310 2.5502 2.5502 2.6665 2.6665 8.0611 8.0611 8.3213 8.3213 8.3787 8.3787 12.7493 12.7493 k = 0.0358 0.0211 0.3438 ( 5274 PWs) bands (ev): -41.4759 -41.4759 -20.4148 -20.4148 -16.1053 -16.1053 -3.9754 -3.9754 -3.7286 -3.7286 -3.4821 -3.4821 -3.3257 -3.3257 2.5431 2.5431 2.6637 2.6637 8.0369 8.0369 8.3522 8.3522 8.3772 8.3772 12.7564 12.7564 k = 0.0447 0.0264 0.3438 ( 5284 PWs) bands (ev): -41.4759 -41.4759 -20.4132 -20.4132 -16.1043 -16.1043 -3.9798 -3.9798 -3.7312 -3.7312 -3.4908 -3.4908 -3.3195 -3.3195 2.5341 2.5341 2.6602 2.6602 8.0112 8.0112 8.3699 8.3699 8.3921 8.3921 12.7654 12.7654 k = 0.0537 0.0317 0.3438 ( 5279 PWs) bands (ev): -41.4758 -41.4758 -20.4113 -20.4113 -16.1031 -16.1031 -3.9855 -3.9855 -3.7344 -3.7344 -3.5004 -3.5004 -3.3126 -3.3126 2.5230 2.5230 2.6558 2.6558 7.9845 7.9845 8.3673 8.3673 8.4295 8.4295 12.7763 12.7763 k = 0.0626 0.0369 0.3438 ( 5279 PWs) bands (ev): -41.4757 -41.4757 -20.4090 -20.4090 -16.1016 -16.1016 -3.9925 -3.9925 -3.7381 -3.7381 -3.5106 -3.5106 -3.3051 -3.3051 2.5100 2.5100 2.6507 2.6507 7.9573 7.9573 8.3629 8.3629 8.4709 8.4709 12.7889 12.7889 k = 0.0716 0.0422 0.3438 ( 5281 PWs) bands (ev): -41.4757 -41.4757 -20.4064 -20.4064 -16.1000 -16.1000 -4.0010 -4.0010 -3.7423 -3.7423 -3.5211 -3.5211 -3.2972 -3.2972 2.4949 2.4949 2.6448 2.6448 7.9297 7.9297 8.3577 8.3577 8.5151 8.5151 12.8031 12.8031 k = 0.0805 0.0475 0.3438 ( 5281 PWs) bands (ev): -41.4756 -41.4756 -20.4035 -20.4035 -16.0982 -16.0982 -4.0111 -4.0111 -3.7471 -3.7471 -3.5316 -3.5316 -3.2888 -3.2888 2.4779 2.4779 2.6383 2.6383 7.9017 7.9017 8.3518 8.3518 8.5619 8.5619 12.8187 12.8187 k = 0.0895 0.0528 0.3438 ( 5282 PWs) bands (ev): -41.4755 -41.4755 -20.4003 -20.4003 -16.0961 -16.0961 -4.0229 -4.0229 -3.7523 -3.7523 -3.5420 -3.5420 -3.2801 -3.2801 2.4588 2.4588 2.6310 2.6310 7.8732 7.8732 8.3453 8.3453 8.6114 8.6114 12.8356 12.8356 k = 0.0984 0.0581 0.3438 ( 5286 PWs) bands (ev): -41.4754 -41.4754 -20.3967 -20.3967 -16.0939 -16.0939 -4.0366 -4.0366 -3.7580 -3.7580 -3.5519 -3.5519 -3.2709 -3.2709 2.4379 2.4379 2.6231 2.6231 7.8442 7.8442 8.3382 8.3382 8.6635 8.6635 12.8534 12.8534 k = 0.1074 0.0633 0.3438 ( 5280 PWs) bands (ev): -41.4753 -41.4753 -20.3929 -20.3929 -16.0915 -16.0915 -4.0523 -4.0523 -3.7642 -3.7642 -3.5612 -3.5612 -3.2614 -3.2614 2.4150 2.4150 2.6145 2.6145 7.8148 7.8148 8.3306 8.3306 8.7182 8.7182 12.8720 12.8720 k = 0.1163 0.0686 0.3438 ( 5279 PWs) bands (ev): -41.4752 -41.4752 -20.3888 -20.3888 -16.0889 -16.0889 -4.0701 -4.0701 -3.7709 -3.7709 -3.5697 -3.5697 -3.2515 -3.2515 2.3903 2.3903 2.6053 2.6053 7.7849 7.7849 8.3225 8.3225 8.7755 8.7755 12.8910 12.8910 k = 0.1253 0.0739 0.3438 ( 5276 PWs) bands (ev): -41.4750 -41.4750 -20.3844 -20.3844 -16.0861 -16.0861 -4.0899 -4.0899 -3.7779 -3.7779 -3.5774 -3.5774 -3.2412 -3.2412 2.3637 2.3637 2.5956 2.5956 7.7544 7.7544 8.3140 8.3140 8.8354 8.8354 12.9101 12.9101 k = 0.1342 0.0792 0.3438 ( 5274 PWs) bands (ev): -41.4749 -41.4749 -20.3797 -20.3797 -16.0832 -16.0832 -4.1118 -4.1118 -3.7853 -3.7853 -3.5841 -3.5841 -3.2303 -3.2303 2.3354 2.3354 2.5853 2.5853 7.7233 7.7233 8.3051 8.3051 8.8979 8.8979 12.9290 12.9290 k = 0.1432 0.0844 0.3438 ( 5272 PWs) bands (ev): -41.4747 -41.4747 -20.3749 -20.3749 -16.0801 -16.0801 -4.1357 -4.1357 -3.7931 -3.7931 -3.5899 -3.5899 -3.2191 -3.2191 2.3053 2.3053 2.5744 2.5744 7.6916 7.6916 8.2959 8.2959 8.9629 8.9629 12.9472 12.9472 k = 0.1521 0.0897 0.3438 ( 5272 PWs) bands (ev): -41.4746 -41.4746 -20.3697 -20.3697 -16.0768 -16.0768 -4.1616 -4.1616 -3.8013 -3.8013 -3.5947 -3.5947 -3.2073 -3.2073 2.2736 2.2736 2.5631 2.5631 7.6595 7.6595 8.2863 8.2863 9.0303 9.0303 12.9643 12.9643 k = 0.1611 0.0950 0.3438 ( 5266 PWs) bands (ev): -41.4744 -41.4744 -20.3644 -20.3644 -16.0734 -16.0734 -4.1892 -4.1892 -3.8097 -3.8097 -3.5986 -3.5986 -3.1950 -3.1950 2.2402 2.2402 2.5513 2.5513 7.6268 7.6268 8.2765 8.2765 9.1000 9.1000 12.9800 12.9800 k = 0.1700 0.1003 0.3438 ( 5264 PWs) bands (ev): -41.4743 -41.4743 -20.3589 -20.3589 -16.0699 -16.0699 -4.2185 -4.2185 -3.8185 -3.8185 -3.6018 -3.6018 -3.1821 -3.1821 2.2054 2.2054 2.5392 2.5392 7.5936 7.5936 8.2665 8.2665 9.1719 9.1719 12.9938 12.9938 k = 0.1789 0.1055 0.3438 ( 5267 PWs) bands (ev): -41.4741 -41.4741 -20.3532 -20.3532 -16.0663 -16.0663 -4.2492 -4.2492 -3.8274 -3.8274 -3.6042 -3.6042 -3.1686 -3.1686 2.1692 2.1692 2.5266 2.5266 7.5601 7.5601 8.2563 8.2563 9.2458 9.2458 13.0053 13.0053 k = 0.1879 0.1108 0.3438 ( 5274 PWs) bands (ev): -41.4739 -41.4739 -20.3473 -20.3473 -16.0625 -16.0625 -4.2813 -4.2813 -3.8366 -3.8366 -3.6059 -3.6059 -3.1545 -3.1545 2.1316 2.1316 2.5138 2.5138 7.5262 7.5262 8.2460 8.2460 9.3216 9.3216 13.0143 13.0143 k = 0.1968 0.1161 0.3438 ( 5268 PWs) bands (ev): -41.4738 -41.4738 -20.3413 -20.3413 -16.0587 -16.0587 -4.3145 -4.3145 -3.8460 -3.8460 -3.6072 -3.6072 -3.1397 -3.1397 2.0928 2.0928 2.5006 2.5006 7.4921 7.4921 8.2356 8.2356 9.3989 9.3989 13.0204 13.0204 k = 0.2058 0.1214 0.3438 ( 5272 PWs) bands (ev): -41.4736 -41.4736 -20.3351 -20.3351 -16.0548 -16.0548 -4.3486 -4.3486 -3.8556 -3.8556 -3.6080 -3.6080 -3.1243 -3.1243 2.0528 2.0528 2.4872 2.4872 7.4578 7.4578 8.2252 8.2252 9.4776 9.4776 13.0237 13.0237 k = 0.2147 0.1267 0.3438 ( 5277 PWs) bands (ev): -41.4734 -41.4734 -20.3289 -20.3289 -16.0507 -16.0507 -4.3835 -4.3835 -3.8652 -3.8652 -3.6085 -3.6085 -3.1083 -3.1083 2.0118 2.0118 2.4736 2.4736 7.4235 7.4235 8.2147 8.2147 9.5573 9.5573 13.0240 13.0240 k = 0.2237 0.1319 0.3438 ( 5273 PWs) bands (ev): -41.4732 -41.4732 -20.3225 -20.3225 -16.0467 -16.0467 -4.4189 -4.4189 -3.8750 -3.8750 -3.6088 -3.6088 -3.0915 -3.0915 1.9699 1.9699 2.4598 2.4598 7.3893 7.3893 8.2044 8.2044 9.6377 9.6377 13.0216 13.0216 k = 0.2326 0.1372 0.3438 ( 5271 PWs) bands (ev): -41.4730 -41.4730 -20.3161 -20.3161 -16.0425 -16.0425 -4.4548 -4.4548 -3.8848 -3.8848 -3.6090 -3.6090 -3.0739 -3.0739 1.9271 1.9271 2.4459 2.4459 7.3553 7.3553 8.1941 8.1941 9.7185 9.7185 13.0167 13.0167 k = 0.2416 0.1425 0.3438 ( 5270 PWs) bands (ev): -41.4729 -41.4729 -20.3097 -20.3097 -16.0384 -16.0384 -4.4910 -4.4910 -3.8947 -3.8947 -3.6092 -3.6092 -3.0557 -3.0557 1.8837 1.8837 2.4320 2.4320 7.3216 7.3216 8.1839 8.1839 9.7993 9.7993 13.0097 13.0097 k = 0.2505 0.1478 0.3438 ( 5271 PWs) bands (ev): -41.4727 -41.4727 -20.3032 -20.3032 -16.0342 -16.0342 -4.5273 -4.5273 -3.9045 -3.9045 -3.6094 -3.6094 -3.0367 -3.0367 1.8396 1.8396 2.4179 2.4179 7.2883 7.2883 8.1739 8.1739 9.8796 9.8796 13.0013 13.0013 k = 0.2595 0.1530 0.3438 ( 5270 PWs) bands (ev): -41.4725 -41.4725 -20.2967 -20.2967 -16.0299 -16.0299 -4.5635 -4.5635 -3.9144 -3.9144 -3.6098 -3.6098 -3.0170 -3.0170 1.7951 1.7951 2.4039 2.4039 7.2556 7.2556 8.1641 8.1641 9.9591 9.9591 12.9918 12.9918 k = 0.2684 0.1583 0.3438 ( 5268 PWs) bands (ev): -41.4723 -41.4723 -20.2902 -20.2902 -16.0257 -16.0257 -4.5996 -4.5996 -3.9241 -3.9241 -3.6104 -3.6104 -2.9965 -2.9965 1.7501 1.7501 2.3899 2.3899 7.2236 7.2236 8.1545 8.1545 10.0373 10.0373 12.9821 12.9821 k = 0.2774 0.1636 0.3438 ( 5270 PWs) bands (ev): -41.4721 -41.4721 -20.2837 -20.2837 -16.0215 -16.0215 -4.6354 -4.6354 -3.9338 -3.9338 -3.6113 -3.6113 -2.9752 -2.9752 1.7049 1.7049 2.3760 2.3760 7.1925 7.1925 8.1452 8.1452 10.1137 10.1137 12.9726 12.9726 k = 0.2863 0.1689 0.3438 ( 5276 PWs) bands (ev): -41.4719 -41.4719 -20.2774 -20.2774 -16.0173 -16.0173 -4.6708 -4.6708 -3.9433 -3.9433 -3.6125 -3.6125 -2.9532 -2.9532 1.6596 1.6596 2.3622 2.3622 7.1622 7.1622 8.1362 8.1362 10.1879 10.1879 12.9639 12.9639 k = 0.2953 0.1742 0.3438 ( 5282 PWs) bands (ev): -41.4718 -41.4718 -20.2710 -20.2710 -16.0131 -16.0131 -4.7057 -4.7057 -3.9527 -3.9527 -3.6141 -3.6141 -2.9305 -2.9305 1.6142 1.6142 2.3486 2.3486 7.1330 7.1330 8.1275 8.1275 10.2594 10.2594 12.9566 12.9566 k = 0.3042 0.1794 0.3438 ( 5285 PWs) bands (ev): -41.4716 -41.4716 -20.2648 -20.2648 -16.0089 -16.0089 -4.7399 -4.7399 -3.9619 -3.9619 -3.6162 -3.6162 -2.9070 -2.9070 1.5689 1.5689 2.3352 2.3352 7.1051 7.1051 8.1192 8.1192 10.3277 10.3277 12.9511 12.9511 k = 0.3132 0.1847 0.3438 ( 5284 PWs) bands (ev): -41.4714 -41.4714 -20.2587 -20.2587 -16.0049 -16.0049 -4.7733 -4.7733 -3.9708 -3.9708 -3.6187 -3.6187 -2.8828 -2.8828 1.5238 1.5238 2.3220 2.3220 7.0783 7.0783 8.1113 8.1113 10.3924 10.3924 12.9477 12.9477 k = 0.3221 0.1900 0.3438 ( 5290 PWs) bands (ev): -41.4712 -41.4712 -20.2528 -20.2528 -16.0008 -16.0008 -4.8060 -4.8060 -3.9796 -3.9796 -3.6218 -3.6218 -2.8580 -2.8580 1.4789 1.4789 2.3090 2.3090 7.0530 7.0530 8.1038 8.1038 10.4532 10.4532 12.9465 12.9465 k = 0.3311 0.1953 0.3438 ( 5302 PWs) bands (ev): -41.4711 -41.4711 -20.2470 -20.2470 -15.9969 -15.9969 -4.8376 -4.8376 -3.9881 -3.9881 -3.6255 -3.6255 -2.8324 -2.8324 1.4345 1.4345 2.2964 2.2964 7.0292 7.0292 8.0968 8.0968 10.5097 10.5097 12.9476 12.9476 k = 0.3400 0.2005 0.3438 ( 5306 PWs) bands (ev): -41.4709 -41.4709 -20.2414 -20.2414 -15.9930 -15.9930 -4.8683 -4.8683 -3.9962 -3.9962 -3.6297 -3.6297 -2.8062 -2.8062 1.3906 1.3906 2.2841 2.2841 7.0070 7.0070 8.0902 8.0902 10.5618 10.5618 12.9509 12.9509 k = 0.3489 0.2058 0.3438 ( 5304 PWs) bands (ev): -41.4708 -41.4708 -20.2360 -20.2360 -15.9892 -15.9892 -4.8979 -4.8979 -4.0041 -4.0041 -3.6345 -3.6345 -2.7794 -2.7794 1.3473 1.3473 2.2721 2.2721 6.9865 6.9865 8.0841 8.0841 10.6093 10.6093 12.9560 12.9560 k = 0.3579 0.2111 0.3438 ( 5302 PWs) bands (ev): -41.4706 -41.4706 -20.2308 -20.2308 -15.9855 -15.9855 -4.9263 -4.9263 -4.0116 -4.0116 -3.6399 -3.6399 -2.7521 -2.7521 1.3048 1.3048 2.2606 2.2606 6.9677 6.9677 8.0786 8.0786 10.6522 10.6522 12.9627 12.9627 k = 0.3668 0.2164 0.3438 ( 5301 PWs) bands (ev): -41.4705 -41.4705 -20.2258 -20.2258 -15.9820 -15.9820 -4.9534 -4.9534 -4.0188 -4.0188 -3.6460 -3.6460 -2.7242 -2.7242 1.2631 1.2631 2.2495 2.2495 6.9507 6.9507 8.0735 8.0735 10.6906 10.6906 12.9704 12.9704 k = 0.3758 0.2217 0.3438 ( 5296 PWs) bands (ev): -41.4704 -41.4704 -20.2211 -20.2211 -15.9785 -15.9785 -4.9792 -4.9792 -4.0256 -4.0256 -3.6528 -3.6528 -2.6958 -2.6958 1.2223 1.2223 2.2388 2.2388 6.9356 6.9356 8.0691 8.0691 10.7247 10.7247 12.9784 12.9784 k = 0.3847 0.2269 0.3438 ( 5300 PWs) bands (ev): -41.4702 -41.4702 -20.2166 -20.2166 -15.9752 -15.9752 -5.0037 -5.0037 -4.0319 -4.0319 -3.6602 -3.6602 -2.6670 -2.6670 1.1827 1.1827 2.2286 2.2286 6.9225 6.9225 8.0652 8.0652 10.7546 10.7546 12.9863 12.9863 k = 0.3937 0.2322 0.3438 ( 5296 PWs) bands (ev): -41.4701 -41.4701 -20.2125 -20.2125 -15.9721 -15.9721 -5.0267 -5.0267 -4.0379 -4.0379 -3.6683 -3.6683 -2.6378 -2.6378 1.1441 1.1441 2.2189 2.2189 6.9114 6.9114 8.0619 8.0619 10.7806 10.7806 12.9934 12.9934 k = 0.4026 0.2375 0.3438 ( 5296 PWs) bands (ev): -41.4700 -41.4700 -20.2086 -20.2086 -15.9691 -15.9691 -5.0483 -5.0483 -4.0434 -4.0434 -3.6770 -3.6770 -2.6083 -2.6083 1.1069 1.1069 2.2098 2.2098 6.9023 6.9023 8.0592 8.0592 10.8031 10.8031 12.9993 12.9993 k = 0.4116 0.2428 0.3438 ( 5296 PWs) bands (ev): -41.4699 -41.4699 -20.2051 -20.2051 -15.9662 -15.9662 -5.0684 -5.0684 -4.0485 -4.0485 -3.6864 -3.6864 -2.5786 -2.5786 1.0711 1.0711 2.2012 2.2012 6.8953 6.8953 8.0571 8.0571 10.8225 10.8225 13.0034 13.0034 k = 0.4205 0.2480 0.3438 ( 5291 PWs) bands (ev): -41.4698 -41.4698 -20.2019 -20.2019 -15.9635 -15.9635 -5.0868 -5.0868 -4.0530 -4.0530 -3.6964 -3.6964 -2.5487 -2.5487 1.0367 1.0367 2.1931 2.1931 6.8903 6.8903 8.0556 8.0556 10.8391 10.8391 13.0056 13.0056 k = 0.4295 0.2533 0.3438 ( 5292 PWs) bands (ev): -41.4697 -41.4697 -20.1990 -20.1990 -15.9610 -15.9610 -5.1038 -5.1038 -4.0572 -4.0572 -3.7071 -3.7071 -2.5186 -2.5186 1.0040 1.0040 2.1856 2.1856 6.8875 6.8875 8.0548 8.0548 10.8533 10.8533 13.0058 13.0058 k = 0.4384 0.2586 0.3438 ( 5285 PWs) bands (ev): -41.4696 -41.4696 -20.1965 -20.1965 -15.9587 -15.9587 -5.1190 -5.1190 -4.0608 -4.0608 -3.7184 -3.7184 -2.4886 -2.4886 0.9730 0.9730 2.1788 2.1788 6.8868 6.8868 8.0546 8.0546 10.8653 10.8653 13.0039 13.0039 k = 0.4474 0.2639 0.3438 ( 5288 PWs) bands (ev): -41.4696 -41.4696 -20.1943 -20.1943 -15.9565 -15.9565 -5.1327 -5.1327 -4.0639 -4.0639 -3.7303 -3.7303 -2.4585 -2.4585 0.9438 0.9438 2.1725 2.1725 6.8882 6.8882 8.0551 8.0551 10.8756 10.8756 13.0000 13.0000 k = 0.4563 0.2692 0.3438 ( 5287 PWs) bands (ev): -41.4695 -41.4695 -20.1925 -20.1925 -15.9546 -15.9546 -5.1446 -5.1446 -4.0665 -4.0665 -3.7428 -3.7428 -2.4286 -2.4286 0.9166 0.9166 2.1669 2.1669 6.8917 6.8917 8.0563 8.0563 10.8842 10.8842 12.9944 12.9944 k = 0.5000 0.2949-0.1819 ( 5274 PWs) bands (ev): -41.4694 -41.4694 -20.1868 -20.1868 -15.9574 -15.9574 -5.1515 -5.1515 -4.1082 -4.1082 -3.2037 -3.2037 -2.9316 -2.9316 0.5602 0.5602 2.4265 2.4265 7.3808 7.3808 7.5302 7.5302 11.2890 11.2890 13.2040 13.2040 k = 0.5051 0.2862-0.1819 ( 5272 PWs) bands (ev): -41.4694 -41.4694 -20.1868 -20.1868 -15.9574 -15.9574 -5.1510 -5.1510 -4.1092 -4.1092 -3.2039 -3.2039 -2.9312 -2.9312 0.5607 0.5607 2.4250 2.4250 7.3812 7.3812 7.5290 7.5290 11.2925 11.2925 13.2052 13.2052 k = 0.5103 0.2775-0.1819 ( 5276 PWs) bands (ev): -41.4694 -41.4694 -20.1867 -20.1867 -15.9573 -15.9573 -5.1496 -5.1496 -4.1122 -4.1122 -3.2048 -3.2048 -2.9298 -2.9298 0.5622 0.5622 2.4205 2.4205 7.3825 7.3825 7.5255 7.5255 11.3032 11.3032 13.2087 13.2087 k = 0.5154 0.2687-0.1819 ( 5282 PWs) bands (ev): -41.4694 -41.4694 -20.1865 -20.1865 -15.9570 -15.9570 -5.1471 -5.1471 -4.1172 -4.1172 -3.2061 -3.2061 -2.9274 -2.9274 0.5647 0.5647 2.4132 2.4132 7.3848 7.3848 7.5196 7.5196 11.3209 11.3209 13.2145 13.2145 k = 0.5206 0.2600-0.1819 ( 5286 PWs) bands (ev): -41.4694 -41.4694 -20.1863 -20.1863 -15.9567 -15.9567 -5.1438 -5.1438 -4.1241 -4.1241 -3.2081 -3.2081 -2.9241 -2.9241 0.5681 0.5681 2.4029 2.4029 7.3879 7.3879 7.5114 7.5114 11.3455 11.3455 13.2225 13.2225 k = 0.5257 0.2513-0.1819 ( 5288 PWs) bands (ev): -41.4694 -41.4694 -20.1860 -20.1860 -15.9562 -15.9562 -5.1394 -5.1394 -4.1329 -4.1329 -3.2105 -3.2105 -2.9199 -2.9199 0.5726 0.5726 2.3899 2.3899 7.3918 7.3918 7.5011 7.5011 11.3769 11.3769 13.2326 13.2326 k = 0.5309 0.2425-0.1819 ( 5296 PWs) bands (ev): -41.4694 -41.4694 -20.1856 -20.1856 -15.9557 -15.9557 -5.1342 -5.1342 -4.1436 -4.1436 -3.2136 -3.2136 -2.9148 -2.9148 0.5780 0.5780 2.3740 2.3740 7.3966 7.3966 7.4888 7.4888 11.4150 11.4150 13.2448 13.2448 k = 0.5360 0.2338-0.1819 ( 5302 PWs) bands (ev): -41.4693 -41.4693 -20.1851 -20.1851 -15.9551 -15.9551 -5.1280 -5.1280 -4.1561 -4.1561 -3.2172 -3.2172 -2.9088 -2.9088 0.5844 0.5844 2.3555 2.3555 7.4022 7.4022 7.4746 7.4746 11.4595 11.4595 13.2590 13.2590 k = 0.5412 0.2251-0.1819 ( 5298 PWs) bands (ev): -41.4693 -41.4693 -20.1847 -20.1847 -15.9544 -15.9544 -5.1208 -5.1208 -4.1703 -4.1703 -3.2213 -3.2213 -2.9018 -2.9018 0.5917 0.5917 2.3344 2.3344 7.4085 7.4085 7.4588 7.4588 11.5103 11.5103 13.2750 13.2750 k = 0.5463 0.2163-0.1819 ( 5302 PWs) bands (ev): -41.4693 -41.4693 -20.1841 -20.1841 -15.9536 -15.9536 -5.1127 -5.1127 -4.1861 -4.1861 -3.2260 -3.2260 -2.8940 -2.8940 0.6000 0.6000 2.3109 2.3109 7.4150 7.4150 7.4419 7.4419 11.5670 11.5670 13.2926 13.2926 k = 0.5515 0.2076-0.1819 ( 5300 PWs) bands (ev): -41.4693 -41.4693 -20.1835 -20.1835 -15.9528 -15.9528 -5.1037 -5.1037 -4.2036 -4.2036 -3.2313 -3.2313 -2.8852 -2.8852 0.6093 0.6093 2.2850 2.2850 7.4160 7.4160 7.4300 7.4300 11.6295 11.6295 13.3117 13.3117 k = 0.5566 0.1989-0.1819 ( 5300 PWs) bands (ev): -41.4693 -41.4693 -20.1829 -20.1829 -15.9519 -15.9519 -5.0938 -5.0938 -4.2225 -4.2225 -3.2371 -3.2371 -2.8756 -2.8756 0.6195 0.6195 2.2569 2.2569 7.3992 7.3992 7.4353 7.4353 11.6974 11.6974 13.3321 13.3321 k = 0.5618 0.1902-0.1819 ( 5300 PWs) bands (ev): -41.4693 -41.4693 -20.1823 -20.1823 -15.9509 -15.9509 -5.0830 -5.0830 -4.2427 -4.2427 -3.2436 -3.2436 -2.8651 -2.8651 0.6306 0.6306 2.2267 2.2267 7.3783 7.3783 7.4444 7.4444 11.7703 11.7703 13.3536 13.3536 k = 0.5669 0.1814-0.1819 ( 5302 PWs) bands (ev): -41.4692 -41.4692 -20.1816 -20.1816 -15.9498 -15.9498 -5.0714 -5.0714 -4.2643 -4.2643 -3.2506 -3.2506 -2.8537 -2.8537 0.6427 0.6427 2.1946 2.1946 7.3561 7.3561 7.4547 7.4547 11.8480 11.8480 13.3761 13.3761 k = 0.5721 0.1727-0.1819 ( 5302 PWs) bands (ev): -41.4692 -41.4692 -20.1809 -20.1809 -15.9487 -15.9487 -5.0589 -5.0589 -4.2870 -4.2870 -3.2581 -3.2581 -2.8415 -2.8415 0.6557 0.6557 2.1607 2.1607 7.3331 7.3331 7.4658 7.4658 11.9301 11.9301 13.3992 13.3992 k = 0.5772 0.1640-0.1819 ( 5308 PWs) bands (ev): -41.4692 -41.4692 -20.1802 -20.1802 -15.9476 -15.9476 -5.0455 -5.0455 -4.3108 -4.3108 -3.2663 -3.2663 -2.8285 -2.8285 0.6696 0.6696 2.1251 2.1251 7.3094 7.3094 7.4776 7.4776 12.0160 12.0160 13.4229 13.4229 k = 0.5824 0.1552-0.1819 ( 5306 PWs) bands (ev): -41.4692 -41.4692 -20.1795 -20.1795 -15.9464 -15.9464 -5.0313 -5.0313 -4.3355 -4.3355 -3.2750 -3.2750 -2.8147 -2.8147 0.6844 0.6844 2.0882 2.0882 7.2854 7.2854 7.4901 7.4901 12.1055 12.1055 13.4467 13.4467 k = 0.5875 0.1465-0.1819 ( 5304 PWs) bands (ev): -41.4692 -41.4692 -20.1788 -20.1788 -15.9452 -15.9452 -5.0163 -5.0163 -4.3610 -4.3610 -3.2844 -3.2844 -2.8001 -2.8001 0.7000 0.7000 2.0499 2.0499 7.2611 7.2611 7.5033 7.5033 12.1980 12.1980 13.4705 13.4705 k = 0.5927 0.1378-0.1819 ( 5298 PWs) bands (ev): -41.4691 -41.4691 -20.1782 -20.1782 -15.9440 -15.9440 -5.0006 -5.0006 -4.3872 -4.3872 -3.2943 -3.2943 -2.7847 -2.7847 0.7166 0.7166 2.0105 2.0105 7.2367 7.2367 7.5172 7.5172 12.2929 12.2929 13.4940 13.4940 k = 0.5978 0.1290-0.1819 ( 5292 PWs) bands (ev): -41.4691 -41.4691 -20.1775 -20.1775 -15.9427 -15.9427 -4.9840 -4.9840 -4.4140 -4.4140 -3.3048 -3.3048 -2.7685 -2.7685 0.7339 0.7339 1.9701 1.9701 7.2125 7.2125 7.5316 7.5316 12.3895 12.3895 13.5169 13.5169 k = 0.6030 0.1203-0.1819 ( 5292 PWs) bands (ev): -41.4691 -41.4691 -20.1769 -20.1769 -15.9414 -15.9414 -4.9667 -4.9667 -4.4412 -4.4412 -3.3159 -3.3159 -2.7517 -2.7517 0.7522 0.7522 1.9290 1.9290 7.1885 7.1885 7.5466 7.5466 12.4872 12.4872 13.5387 13.5387 k = 0.6081 0.1116-0.1819 ( 5298 PWs) bands (ev): -41.4691 -41.4691 -20.1764 -20.1764 -15.9401 -15.9401 -4.9487 -4.9487 -4.4688 -4.4688 -3.3276 -3.3276 -2.7341 -2.7341 0.7712 0.7712 1.8872 1.8872 7.1650 7.1650 7.5621 7.5621 12.5849 12.5849 13.5589 13.5589 k = 0.6133 0.1029-0.1819 ( 5298 PWs) bands (ev): -41.4690 -41.4690 -20.1759 -20.1759 -15.9389 -15.9389 -4.9301 -4.9301 -4.4966 -4.4966 -3.3399 -3.3399 -2.7159 -2.7159 0.7910 0.7910 1.8449 1.8449 7.1419 7.1419 7.5782 7.5782 12.6814 12.6814 13.5772 13.5772 k = 0.6184 0.0941-0.1819 ( 5294 PWs) bands (ev): -41.4690 -41.4690 -20.1755 -20.1755 -15.9376 -15.9376 -4.9107 -4.9107 -4.5244 -4.5244 -3.3527 -3.3527 -2.6970 -2.6970 0.8116 0.8116 1.8023 1.8023 7.1195 7.1195 7.5948 7.5948 12.7751 12.7751 13.5927 13.5927 k = 0.6236 0.0854-0.1819 ( 5296 PWs) bands (ev): -41.4690 -41.4690 -20.1751 -20.1751 -15.9364 -15.9364 -4.8907 -4.8907 -4.5522 -4.5522 -3.3661 -3.3661 -2.6775 -2.6775 0.8330 0.8330 1.7596 1.7596 7.0980 7.0980 7.6118 7.6118 12.8636 12.8636 13.6050 13.6050 k = 0.6287 0.0767-0.1819 ( 5298 PWs) bands (ev): -41.4690 -41.4690 -20.1749 -20.1749 -15.9352 -15.9352 -4.8701 -4.8701 -4.5799 -4.5799 -3.3801 -3.3801 -2.6574 -2.6574 0.8551 0.8551 1.7169 1.7169 7.0773 7.0773 7.6292 7.6292 12.9434 12.9434 13.6132 13.6132 k = 0.6339 0.0679-0.1819 ( 5302 PWs) bands (ev): -41.4690 -41.4690 -20.1747 -20.1747 -15.9341 -15.9341 -4.8490 -4.8490 -4.6073 -4.6073 -3.3947 -3.3947 -2.6368 -2.6368 0.8779 0.8779 1.6744 1.6744 7.0577 7.0577 7.6471 7.6471 13.0099 13.0099 13.6171 13.6171 k = 0.6390 0.0592-0.1819 ( 5306 PWs) bands (ev): -41.4690 -41.4690 -20.1747 -20.1747 -15.9329 -15.9329 -4.8273 -4.8273 -4.6343 -4.6343 -3.4098 -3.4098 -2.6157 -2.6157 0.9015 0.9015 1.6322 1.6322 7.0391 7.0391 7.6653 7.6653 13.0576 13.0576 13.6165 13.6165 k = 0.6442 0.0505-0.1819 ( 5306 PWs) bands (ev): -41.4690 -41.4690 -20.1748 -20.1748 -15.9319 -15.9319 -4.8050 -4.8050 -4.6608 -4.6608 -3.4255 -3.4255 -2.5942 -2.5942 0.9257 0.9257 1.5905 1.5905 7.0218 7.0218 7.6838 7.6838 13.0822 13.0822 13.6117 13.6117 k = 0.6493 0.0417-0.1819 ( 5306 PWs) bands (ev): -41.4690 -41.4690 -20.1750 -20.1750 -15.9309 -15.9309 -4.7824 -4.7824 -4.6867 -4.6867 -3.4417 -3.4417 -2.5722 -2.5722 0.9505 0.9505 1.5494 1.5494 7.0058 7.0058 7.7027 7.7027 13.0837 13.0837 13.6031 13.6031 k = 0.6545 0.0330-0.1819 ( 5300 PWs) bands (ev): -41.4690 -41.4690 -20.1753 -20.1753 -15.9300 -15.9300 -4.7595 -4.7595 -4.7117 -4.7117 -3.4584 -3.4584 -2.5498 -2.5498 0.9760 0.9760 1.5091 1.5091 6.9912 6.9912 7.7218 7.7218 13.0659 13.0659 13.5917 13.5917 k = 0.3455-0.5858 0.0000 ( 5300 PWs) bands (ev): -41.4690 -41.4690 -20.1753 -20.1753 -15.9300 -15.9300 -4.7595 -4.7595 -4.7117 -4.7117 -3.4584 -3.4584 -2.5498 -2.5498 0.9760 0.9760 1.5091 1.5091 6.9912 6.9912 7.7218 7.7218 13.0659 13.0659 13.5917 13.5917 k = 0.3403-0.5769 0.0000 ( 5304 PWs) bands (ev): -41.4690 -41.4690 -20.1758 -20.1758 -15.9292 -15.9292 -4.7416 -4.7416 -4.7305 -4.7305 -3.4759 -3.4759 -2.5268 -2.5268 1.0024 1.0024 1.4691 1.4691 6.9778 6.9778 7.7416 7.7416 13.0335 13.0335 13.5780 13.5780 k = 0.3350-0.5680 0.0000 ( 5306 PWs) bands (ev): -41.4690 -41.4690 -20.1765 -20.1765 -15.9284 -15.9284 -4.7620 -4.7620 -4.7098 -4.7098 -3.4939 -3.4939 -2.5035 -2.5035 1.0295 1.0295 1.4301 1.4301 6.9660 6.9660 7.7615 7.7615 12.9909 12.9909 13.5628 13.5628 k = 0.3298-0.5592 0.0000 ( 5302 PWs) bands (ev): -41.4690 -41.4690 -20.1773 -20.1773 -15.9278 -15.9278 -4.7849 -4.7849 -4.6853 -4.6853 -3.5123 -3.5123 -2.4799 -2.4799 1.0571 1.0571 1.3924 1.3924 6.9558 6.9558 7.7816 7.7816 12.9412 12.9412 13.5469 13.5469 k = 0.3246-0.5503 0.0000 ( 5302 PWs) bands (ev): -41.4691 -41.4691 -20.1784 -20.1784 -15.9272 -15.9272 -4.8068 -4.8068 -4.6602 -4.6602 -3.5312 -3.5312 -2.4562 -2.4562 1.0853 1.0853 1.3561 1.3561 6.9474 6.9474 7.8019 7.8019 12.8864 12.8864 13.5308 13.5308 k = 0.3193-0.5414 0.0000 ( 5302 PWs) bands (ev): -41.4691 -41.4691 -20.1796 -20.1796 -15.9268 -15.9268 -4.8277 -4.8277 -4.6348 -4.6348 -3.5506 -3.5506 -2.4324 -2.4324 1.1139 1.1139 1.3213 1.3213 6.9407 6.9407 7.8222 7.8222 12.8275 12.8275 13.5150 13.5150 k = 0.3141-0.5325 0.0000 ( 5306 PWs) bands (ev): -41.4691 -41.4691 -20.1810 -20.1810 -15.9265 -15.9265 -4.8475 -4.8475 -4.6091 -4.6091 -3.5703 -3.5703 -2.4085 -2.4085 1.1429 1.1429 1.2881 1.2881 6.9357 6.9357 7.8427 7.8427 12.7655 12.7655 13.4997 13.4997 k = 0.3089-0.5237 0.0000 ( 5310 PWs) bands (ev): -41.4692 -41.4692 -20.1826 -20.1826 -15.9263 -15.9263 -4.8660 -4.8660 -4.5832 -4.5832 -3.5904 -3.5904 -2.3847 -2.3847 1.1723 1.1723 1.2568 1.2568 6.9327 6.9327 7.8632 7.8632 12.7007 12.7007 13.4854 13.4854 k = 0.3036-0.5148 0.0000 ( 5310 PWs) bands (ev): -41.4692 -41.4692 -20.1844 -20.1844 -15.9263 -15.9263 -4.8832 -4.8832 -4.5571 -4.5571 -3.6109 -3.6109 -2.3610 -2.3610 1.2015 1.2015 1.2280 1.2280 6.9314 6.9314 7.8836 7.8836 12.6337 12.6337 13.4722 13.4722 k = 0.2984-0.5059 0.0000 ( 5312 PWs) bands (ev): -41.4693 -41.4693 -20.1864 -20.1864 -15.9264 -15.9264 -4.8990 -4.8990 -4.5309 -4.5309 -3.6316 -3.6316 -2.3374 -2.3374 1.1986 1.1986 1.2336 1.2336 6.9321 6.9321 7.9041 7.9041 12.5645 12.5645 13.4604 13.4604 k = 0.2932-0.4970 0.0000 ( 5310 PWs) bands (ev): -41.4693 -41.4693 -20.1886 -20.1886 -15.9266 -15.9266 -4.9135 -4.9135 -4.5045 -4.5045 -3.6526 -3.6526 -2.3141 -2.3141 1.1737 1.1737 1.2636 1.2636 6.9347 6.9347 7.9245 7.9245 12.4935 12.4935 13.4502 13.4502 k = 0.2879-0.4882 0.0000 ( 5314 PWs) bands (ev): -41.4694 -41.4694 -20.1911 -20.1911 -15.9270 -15.9270 -4.9265 -4.9265 -4.4781 -4.4781 -3.6738 -3.6738 -2.2911 -2.2911 1.1506 1.1506 1.2943 1.2943 6.9392 6.9392 7.9447 7.9447 12.4206 12.4206 13.4417 13.4417 k = 0.2827-0.4793 0.0000 ( 5308 PWs) bands (ev): -41.4694 -41.4694 -20.1938 -20.1938 -15.9275 -15.9275 -4.9381 -4.9381 -4.4517 -4.4517 -3.6952 -3.6952 -2.2684 -2.2684 1.1299 1.1299 1.3253 1.3253 6.9456 6.9456 7.9648 7.9648 12.3461 12.3461 13.4350 13.4350 k = 0.2775-0.4704 0.0000 ( 5314 PWs) bands (ev): -41.4695 -41.4695 -20.1966 -20.1966 -15.9282 -15.9282 -4.9482 -4.9482 -4.4252 -4.4252 -3.7167 -3.7167 -2.2463 -2.2463 1.1115 1.1115 1.3565 1.3565 6.9540 6.9540 7.9847 7.9847 12.2699 12.2699 13.4304 13.4304 k = 0.2722-0.4615 0.0000 ( 5312 PWs) bands (ev): -41.4696 -41.4696 -20.1998 -20.1998 -15.9290 -15.9290 -4.9568 -4.9568 -4.3988 -4.3988 -3.7383 -3.7383 -2.2246 -2.2246 1.0956 1.0956 1.3879 1.3879 6.9643 6.9643 8.0044 8.0044 12.1922 12.1922 13.4278 13.4278 k = 0.2670-0.4527 0.0000 ( 5304 PWs) bands (ev): -41.4697 -41.4697 -20.2031 -20.2031 -15.9300 -15.9300 -4.9639 -4.9639 -4.3725 -4.3725 -3.7600 -3.7600 -2.2035 -2.2035 1.0824 1.0824 1.4194 1.4194 6.9765 6.9765 8.0238 8.0238 12.1129 12.1129 13.4273 13.4273 k = 0.2618-0.4438 0.0000 ( 5302 PWs) bands (ev): -41.4698 -41.4698 -20.2066 -20.2066 -15.9311 -15.9311 -4.9695 -4.9695 -4.3462 -4.3462 -3.7815 -3.7815 -2.1831 -2.1831 1.0718 1.0718 1.4510 1.4510 6.9906 6.9906 8.0429 8.0429 12.0323 12.0323 13.4291 13.4291 k = 0.2565-0.4349 0.0000 ( 5296 PWs) bands (ev): -41.4699 -41.4699 -20.2104 -20.2104 -15.9324 -15.9324 -4.9736 -4.9736 -4.3202 -4.3202 -3.8031 -3.8031 -2.1634 -2.1634 1.0640 1.0640 1.4826 1.4826 7.0066 7.0066 8.0616 8.0616 11.9502 11.9502 13.4331 13.4331 k = 0.2513-0.4260 0.0000 ( 5294 PWs) bands (ev): -41.4700 -41.4700 -20.2144 -20.2144 -15.9339 -15.9339 -4.9763 -4.9763 -4.2943 -4.2943 -3.8244 -3.8244 -2.1445 -2.1445 1.0590 1.0590 1.5142 1.5142 7.0245 7.0245 8.0800 8.0800 11.8667 11.8667 13.4393 13.4393 k = 0.2461-0.4172 0.0000 ( 5294 PWs) bands (ev): -41.4701 -41.4701 -20.2186 -20.2186 -15.9355 -15.9355 -4.9776 -4.9776 -4.2687 -4.2687 -3.8456 -3.8456 -2.1264 -2.1264 1.0569 1.0569 1.5457 1.5457 7.0442 7.0442 8.0979 8.0979 11.7819 11.7819 13.4476 13.4476 k = 0.2408-0.4083 0.0000 ( 5294 PWs) bands (ev): -41.4702 -41.4702 -20.2230 -20.2230 -15.9372 -15.9372 -4.9775 -4.9775 -4.2433 -4.2433 -3.8664 -3.8664 -2.1092 -2.1092 1.0576 1.0576 1.5772 1.5772 7.0656 7.0656 8.1154 8.1154 11.6959 11.6959 13.4579 13.4579 k = 0.2356-0.3994 0.0000 ( 5296 PWs) bands (ev): -41.4703 -41.4703 -20.2276 -20.2276 -15.9391 -15.9391 -4.9760 -4.9760 -4.2181 -4.2181 -3.8869 -3.8869 -2.0929 -2.0929 1.0613 1.0613 1.6085 1.6085 7.0888 7.0888 8.1324 8.1324 11.6087 11.6087 13.4700 13.4700 k = 0.2303-0.3905 0.0000 ( 5296 PWs) bands (ev): -41.4705 -41.4705 -20.2323 -20.2323 -15.9412 -15.9412 -4.9734 -4.9734 -4.1934 -4.1934 -3.9069 -3.9069 -2.0776 -2.0776 1.0679 1.0679 1.6396 1.6396 7.1137 7.1137 8.1489 8.1489 11.5203 11.5203 13.4837 13.4837 k = 0.2251-0.3816 0.0000 ( 5290 PWs) bands (ev): -41.4706 -41.4706 -20.2373 -20.2373 -15.9434 -15.9434 -4.9695 -4.9695 -4.1689 -4.1689 -3.9263 -3.9263 -2.0632 -2.0632 1.0773 1.0773 1.6705 1.6705 7.1403 7.1403 8.1649 8.1649 11.4309 11.4309 13.4985 13.4985 k = 0.2199-0.3728 0.0000 ( 5286 PWs) bands (ev): -41.4707 -41.4707 -20.2424 -20.2424 -15.9457 -15.9457 -4.9645 -4.9645 -4.1448 -4.1448 -3.9452 -3.9452 -2.0498 -2.0498 1.0897 1.0897 1.7011 1.7011 7.1684 7.1684 8.1803 8.1803 11.3405 11.3405 13.5139 13.5139 k = 0.2146-0.3639 0.0000 ( 5278 PWs) bands (ev): -41.4709 -41.4709 -20.2477 -20.2477 -15.9482 -15.9482 -4.9585 -4.9585 -4.1212 -4.1212 -3.9632 -3.9632 -2.0374 -2.0374 1.1049 1.1049 1.7315 1.7315 7.1981 7.1981 8.1951 8.1951 11.2492 11.2492 13.5291 13.5291 k = 0.2094-0.3550 0.0000 ( 5272 PWs) bands (ev): -41.4710 -41.4710 -20.2532 -20.2532 -15.9507 -15.9507 -4.9517 -4.9517 -4.0980 -4.0980 -3.9805 -3.9805 -2.0260 -2.0260 1.1230 1.1230 1.7615 1.7615 7.2292 7.2292 8.2093 8.2093 11.1571 11.1571 13.5431 13.5431 k = 0.2042-0.3461 0.0000 ( 5276 PWs) bands (ev): -41.4712 -41.4712 -20.2588 -20.2588 -15.9535 -15.9535 -4.9441 -4.9441 -4.0752 -4.0752 -3.9967 -3.9967 -2.0155 -2.0155 1.1437 1.1437 1.7912 1.7912 7.2618 7.2618 8.2229 8.2229 11.0643 11.0643 13.5548 13.5548 k = 0.1989-0.3373 0.0000 ( 5274 PWs) bands (ev): -41.4713 -41.4713 -20.2645 -20.2645 -15.9563 -15.9563 -4.9359 -4.9359 -4.0530 -4.0530 -4.0117 -4.0117 -2.0061 -2.0061 1.1672 1.1672 1.8204 1.8204 7.2956 7.2956 8.2358 8.2358 10.9710 10.9710 13.5627 13.5627 k = 0.1937-0.3284 0.0000 ( 5272 PWs) bands (ev): -41.4715 -41.4715 -20.2703 -20.2703 -15.9592 -15.9592 -4.9272 -4.9272 -4.0326 -4.0326 -4.0243 -4.0243 -1.9976 -1.9976 1.1933 1.1933 1.8492 1.8492 7.3306 7.3306 8.2481 8.2481 10.8771 10.8771 13.5654 13.5654 k = 0.1885-0.3195 0.0000 ( 5264 PWs) bands (ev): -41.4716 -41.4716 -20.2763 -20.2763 -15.9622 -15.9622 -4.9183 -4.9183 -4.0388 -4.0388 -4.0093 -4.0093 -1.9900 -1.9900 1.2218 1.2218 1.8775 1.8775 7.3668 7.3668 8.2598 8.2598 10.7829 10.7829 13.5618 13.5618 k = 0.1832-0.3106 0.0000 ( 5264 PWs) bands (ev): -41.4718 -41.4718 -20.2823 -20.2823 -15.9653 -15.9653 -4.9092 -4.9092 -4.0497 -4.0497 -3.9887 -3.9887 -1.9833 -1.9833 1.2527 1.2527 1.9053 1.9053 7.4041 7.4041 8.2707 8.2707 10.6886 10.6886 13.5508 13.5508 k = 0.1780-0.3018 0.0000 ( 5262 PWs) bands (ev): -41.4720 -41.4720 -20.2884 -20.2884 -15.9685 -15.9685 -4.9002 -4.9002 -4.0591 -4.0591 -3.9686 -3.9686 -1.9774 -1.9774 1.2859 1.2859 1.9325 1.9325 7.4423 7.4423 8.2810 8.2810 10.5941 10.5941 13.5322 13.5322 k = 0.1728-0.2929 0.0000 ( 5262 PWs) bands (ev): -41.4721 -41.4721 -20.2945 -20.2945 -15.9718 -15.9718 -4.8915 -4.8915 -4.0666 -4.0666 -3.9490 -3.9490 -1.9723 -1.9723 1.3212 1.3212 1.9592 1.9592 7.4813 7.4813 8.2906 8.2906 10.4998 10.4998 13.5061 13.5061 k = 0.1675-0.2840 0.0000 ( 5264 PWs) bands (ev): -41.4723 -41.4723 -20.3007 -20.3007 -15.9751 -15.9751 -4.8831 -4.8831 -4.0723 -4.0723 -3.9299 -3.9299 -1.9680 -1.9680 1.3585 1.3585 1.9853 1.9853 7.5211 7.5211 8.2996 8.2996 10.4057 10.4057 13.4733 13.4733 k = 0.1623-0.2751 0.0000 ( 5264 PWs) bands (ev): -41.4725 -41.4725 -20.3070 -20.3070 -15.9784 -15.9784 -4.8755 -4.8755 -4.0759 -4.0759 -3.9115 -3.9115 -1.9644 -1.9644 1.3976 1.3976 2.0107 2.0107 7.5615 7.5615 8.3079 8.3079 10.3120 10.3120 13.4344 13.4344 k = 0.1571-0.2663 0.0000 ( 5260 PWs) bands (ev): -41.4726 -41.4726 -20.3132 -20.3132 -15.9818 -15.9818 -4.8685 -4.8685 -4.0774 -4.0774 -3.8936 -3.8936 -1.9615 -1.9615 1.4384 1.4384 2.0354 2.0354 7.6024 7.6024 8.3155 8.3155 10.2189 10.2189 13.3902 13.3902 k = 0.1518-0.2574 0.0000 ( 5260 PWs) bands (ev): -41.4728 -41.4728 -20.3195 -20.3195 -15.9852 -15.9852 -4.8626 -4.8626 -4.0767 -4.0767 -3.8763 -3.8763 -1.9591 -1.9591 1.4807 1.4807 2.0595 2.0595 7.6437 7.6437 8.3226 8.3226 10.1266 10.1266 13.3417 13.3417 k = 0.1466-0.2485 0.0000 ( 5264 PWs) bands (ev): -41.4730 -41.4730 -20.3257 -20.3257 -15.9887 -15.9887 -4.8576 -4.8576 -4.0737 -4.0737 -3.8597 -3.8597 -1.9573 -1.9573 1.5243 1.5243 2.0829 2.0829 7.6852 7.6852 8.3290 8.3290 10.0352 10.0352 13.2895 13.2895 k = 0.1413-0.2396 0.0000 ( 5276 PWs) bands (ev): -41.4732 -41.4732 -20.3319 -20.3319 -15.9921 -15.9921 -4.8537 -4.8537 -4.0685 -4.0685 -3.8437 -3.8437 -1.9561 -1.9561 1.5691 1.5691 2.1055 2.1055 7.7268 7.7268 8.3348 8.3348 9.9450 9.9450 13.2343 13.2343 k = 0.1361-0.2308 0.0000 ( 5270 PWs) bands (ev): -41.4733 -41.4733 -20.3380 -20.3380 -15.9956 -15.9956 -4.8510 -4.8510 -4.0610 -4.0610 -3.8283 -3.8283 -1.9552 -1.9552 1.6149 1.6149 2.1274 2.1274 7.7684 7.7684 8.3400 8.3400 9.8561 9.8561 13.1767 13.1767 k = 0.1309-0.2219 0.0000 ( 5270 PWs) bands (ev): -41.4735 -41.4735 -20.3441 -20.3441 -15.9990 -15.9990 -4.8494 -4.8494 -4.0515 -4.0515 -3.8135 -3.8135 -1.9548 -1.9548 1.6614 1.6614 2.1484 2.1484 7.8097 7.8097 8.3447 8.3447 9.7688 9.7688 13.1173 13.1173 k = 0.1256-0.2130 0.0000 ( 5264 PWs) bands (ev): -41.4737 -41.4737 -20.3500 -20.3500 -16.0024 -16.0024 -4.8490 -4.8490 -4.0400 -4.0400 -3.7994 -3.7994 -1.9547 -1.9547 1.7085 1.7085 2.1688 2.1688 7.8507 7.8507 8.3488 8.3488 9.6833 9.6833 13.0566 13.0566 k = 0.1204-0.2041 0.0000 ( 5262 PWs) bands (ev): -41.4738 -41.4738 -20.3559 -20.3559 -16.0058 -16.0058 -4.8496 -4.8496 -4.0267 -4.0267 -3.7858 -3.7858 -1.9549 -1.9549 1.7560 1.7560 2.1883 2.1883 7.8911 7.8911 8.3525 8.3525 9.5998 9.5998 12.9949 12.9949 k = 0.1152-0.1953 0.0000 ( 5268 PWs) bands (ev): -41.4740 -41.4740 -20.3617 -20.3617 -16.0091 -16.0091 -4.8511 -4.8511 -4.0118 -4.0118 -3.7730 -3.7730 -1.9554 -1.9554 1.8037 1.8037 2.2070 2.2070 7.9308 7.9308 8.3557 8.3557 9.5186 9.5186 12.9328 12.9328 k = 0.1099-0.1864 0.0000 ( 5270 PWs) bands (ev): -41.4742 -41.4742 -20.3673 -20.3673 -16.0124 -16.0124 -4.8535 -4.8535 -3.9954 -3.9954 -3.7607 -3.7607 -1.9562 -1.9562 1.8513 1.8513 2.2248 2.2248 7.9695 7.9695 8.3584 8.3584 9.4399 9.4399 12.8705 12.8705 k = 0.1047-0.1775 0.0000 ( 5272 PWs) bands (ev): -41.4743 -41.4743 -20.3728 -20.3728 -16.0156 -16.0156 -4.8567 -4.8567 -3.9779 -3.9779 -3.7490 -3.7490 -1.9571 -1.9571 1.8987 1.8987 2.2419 2.2419 8.0069 8.0069 8.3607 8.3607 9.3640 9.3640 12.8085 12.8085 k = 0.0995-0.1686 0.0000 ( 5268 PWs) bands (ev): -41.4745 -41.4745 -20.3781 -20.3781 -16.0187 -16.0187 -4.8605 -4.8605 -3.9594 -3.9594 -3.7380 -3.7380 -1.9582 -1.9582 1.9456 1.9456 2.2581 2.2581 8.0430 8.0430 8.3626 8.3626 9.2911 9.2911 12.7470 12.7470 k = 0.0942-0.1598 0.0000 ( 5268 PWs) bands (ev): -41.4746 -41.4746 -20.3832 -20.3832 -16.0217 -16.0217 -4.8648 -4.8648 -3.9402 -3.9402 -3.7276 -3.7276 -1.9594 -1.9594 1.9919 1.9919 2.2734 2.2734 8.0774 8.0774 8.3642 8.3642 9.2217 9.2217 12.6865 12.6865 k = 0.0890-0.1509 0.0000 ( 5266 PWs) bands (ev): -41.4748 -41.4748 -20.3882 -20.3882 -16.0246 -16.0246 -4.8695 -4.8695 -3.9205 -3.9205 -3.7178 -3.7178 -1.9606 -1.9606 2.0373 2.0373 2.2879 2.2879 8.1097 8.1097 8.3654 8.3654 9.1560 9.1560 12.6272 12.6272 k = 0.0838-0.1420 0.0000 ( 5264 PWs) bands (ev): -41.4749 -41.4749 -20.3929 -20.3929 -16.0274 -16.0274 -4.8745 -4.8745 -3.9006 -3.9006 -3.7086 -3.7086 -1.9620 -1.9620 2.0815 2.0815 2.3016 2.3016 8.1398 8.1398 8.3664 8.3664 9.0943 9.0943 12.5695 12.5695 k = 0.0785-0.1331 0.0000 ( 5262 PWs) bands (ev): -41.4750 -41.4750 -20.3975 -20.3975 -16.0301 -16.0301 -4.8796 -4.8796 -3.8806 -3.8806 -3.7000 -3.7000 -1.9634 -1.9634 2.1245 2.1245 2.3144 2.3144 8.1672 8.1672 8.3671 8.3671 9.0371 9.0371 12.5136 12.5136 k = 0.0733-0.1243 0.0000 ( 5256 PWs) bands (ev): -41.4751 -41.4751 -20.4018 -20.4018 -16.0326 -16.0326 -4.8848 -4.8848 -3.8609 -3.8609 -3.6920 -3.6920 -1.9648 -1.9648 2.1659 2.1659 2.3263 2.3263 8.1915 8.1915 8.3676 8.3676 8.9848 8.9848 12.4597 12.4597 k = 0.0681-0.1154 0.0000 ( 5256 PWs) bands (ev): -41.4752 -41.4752 -20.4058 -20.4058 -16.0351 -16.0351 -4.8900 -4.8900 -3.8416 -3.8416 -3.6846 -3.6846 -1.9662 -1.9662 2.2055 2.2055 2.3374 2.3374 8.2124 8.2124 8.3678 8.3678 8.9377 8.9377 12.4083 12.4083 k = 0.0628-0.1065 0.0000 ( 5259 PWs) bands (ev): -41.4754 -41.4754 -20.4096 -20.4096 -16.0373 -16.0373 -4.8951 -4.8951 -3.8229 -3.8229 -3.6777 -3.6777 -1.9675 -1.9675 2.2432 2.2432 2.3478 2.3478 8.2296 8.2296 8.3679 8.3679 8.8963 8.8963 12.3595 12.3595 k = 0.0576-0.0976 0.0000 ( 5259 PWs) bands (ev): -41.4755 -41.4755 -20.4132 -20.4132 -16.0395 -16.0395 -4.9000 -4.9000 -3.8049 -3.8049 -3.6714 -3.6714 -1.9688 -1.9688 2.2786 2.2786 2.3573 2.3573 8.2428 8.2428 8.3679 8.3679 8.8607 8.8607 12.3136 12.3136 k = 0.0524-0.0888 0.0000 ( 5263 PWs) bands (ev): -41.4756 -41.4756 -20.4164 -20.4164 -16.0414 -16.0414 -4.9047 -4.9047 -3.7880 -3.7880 -3.6657 -3.6657 -1.9701 -1.9701 2.3116 2.3116 2.3660 2.3660 8.2520 8.2520 8.3677 8.3677 8.8311 8.8311 12.2708 12.2708 k = 0.0471-0.0799 0.0000 ( 5261 PWs) bands (ev): -41.4756 -41.4756 -20.4194 -20.4194 -16.0432 -16.0432 -4.9091 -4.9091 -3.7721 -3.7721 -3.6605 -3.6605 -1.9712 -1.9712 2.3418 2.3418 2.3743 2.3743 8.2571 8.2571 8.3674 8.3674 8.8075 8.8075 12.2314 12.2314 k = 0.0419-0.0710 0.0000 ( 5259 PWs) bands (ev): -41.4757 -41.4757 -20.4221 -20.4221 -16.0448 -16.0448 -4.9132 -4.9132 -3.7576 -3.7576 -3.6559 -3.6559 -1.9723 -1.9723 2.3677 2.3677 2.3833 2.3833 8.2587 8.2587 8.3671 8.3671 8.7893 8.7893 12.1955 12.1955 k = 0.0366-0.0621 0.0000 ( 5255 PWs) bands (ev): -41.4758 -41.4758 -20.4245 -20.4245 -16.0463 -16.0463 -4.9168 -4.9168 -3.7444 -3.7444 -3.6519 -3.6519 -1.9733 -1.9733 2.3828 2.3828 2.3993 2.3993 8.2573 8.2573 8.3667 8.3667 8.7760 8.7760 12.1634 12.1634 k = 0.0314-0.0533 0.0000 ( 5253 PWs) bands (ev): -41.4758 -41.4758 -20.4266 -20.4266 -16.0475 -16.0475 -4.9201 -4.9201 -3.7328 -3.7328 -3.6483 -3.6483 -1.9741 -1.9741 2.3896 2.3896 2.4198 2.4198 8.2538 8.2538 8.3664 8.3664 8.7668 8.7668 12.1351 12.1351 k = 0.0262-0.0444 0.0000 ( 5251 PWs) bands (ev): -41.4759 -41.4759 -20.4283 -20.4283 -16.0486 -16.0486 -4.9229 -4.9229 -3.7227 -3.7227 -3.6454 -3.6454 -1.9749 -1.9749 2.3945 2.3945 2.4382 2.4382 8.2491 8.2491 8.3661 8.3661 8.7608 8.7608 12.1110 12.1110 k = 0.0209-0.0355 0.0000 ( 5243 PWs) bands (ev): -41.4759 -41.4759 -20.4298 -20.4298 -16.0495 -16.0495 -4.9252 -4.9252 -3.7144 -3.7144 -3.6429 -3.6429 -1.9755 -1.9755 2.3983 2.3983 2.4536 2.4536 8.2440 8.2440 8.3658 8.3658 8.7571 8.7571 12.0911 12.0911 k = 0.0157-0.0266 0.0000 ( 5245 PWs) bands (ev): -41.4760 -41.4760 -20.4309 -20.4309 -16.0502 -16.0502 -4.9271 -4.9271 -3.7079 -3.7079 -3.6410 -3.6410 -1.9760 -1.9760 2.4012 2.4012 2.4658 2.4658 8.2392 8.2392 8.3655 8.3655 8.7551 8.7551 12.0754 12.0754 k = 0.0105-0.0178 0.0000 ( 5247 PWs) bands (ev): -41.4760 -41.4760 -20.4317 -20.4317 -16.0507 -16.0507 -4.9284 -4.9284 -3.7032 -3.7032 -3.6397 -3.6397 -1.9763 -1.9763 2.4033 2.4033 2.4746 2.4746 8.2354 8.2354 8.3653 8.3653 8.7540 8.7540 12.0642 12.0642 k = 0.0052-0.0089 0.0000 ( 5243 PWs) bands (ev): -41.4760 -41.4760 -20.4322 -20.4322 -16.0510 -16.0510 -4.9292 -4.9292 -3.7004 -3.7004 -3.6388 -3.6388 -1.9765 -1.9765 2.4045 2.4045 2.4799 2.4799 8.2329 8.2329 8.3652 8.3652 8.7535 8.7535 12.0574 12.0574 k = 0.0000 0.0000 0.0000 ( 5241 PWs) bands (ev): -41.4760 -41.4760 -20.4324 -20.4324 -16.0511 -16.0511 -4.9294 -4.9294 -3.6994 -3.6994 -3.6386 -3.6386 -1.9766 -1.9766 2.4049 2.4049 2.4816 2.4816 8.2320 8.2320 8.3652 8.3652 8.7534 8.7534 12.0552 12.0552 k = 0.0000 0.0000 0.0000 ( 5241 PWs) bands (ev): -41.4760 -41.4760 -20.4324 -20.4324 -16.0511 -16.0511 -4.9294 -4.9294 -3.6994 -3.6994 -3.6386 -3.6386 -1.9766 -1.9766 2.4049 2.4049 2.4816 2.4816 8.2320 8.2320 8.3652 8.3652 8.7534 8.7534 12.0552 12.0552 k = 0.0089-0.0049-0.0016 ( 5243 PWs) bands (ev): -41.4760 -41.4760 -20.4322 -20.4322 -16.0510 -16.0510 -4.9291 -4.9291 -3.7002 -3.7002 -3.6390 -3.6390 -1.9766 -1.9766 2.4042 2.4042 2.4803 2.4803 8.2314 8.2314 8.3672 8.3672 8.7532 8.7532 12.0572 12.0572 k = 0.0179-0.0099-0.0032 ( 5244 PWs) bands (ev): -41.4760 -41.4760 -20.4317 -20.4317 -16.0507 -16.0507 -4.9281 -4.9281 -3.7025 -3.7025 -3.6404 -3.6404 -1.9766 -1.9766 2.4020 2.4020 2.4765 2.4765 8.2295 8.2295 8.3730 8.3730 8.7529 8.7529 12.0633 12.0633 k = 0.0268-0.0148-0.0049 ( 5246 PWs) bands (ev): -41.4760 -41.4760 -20.4309 -20.4309 -16.0503 -16.0503 -4.9265 -4.9265 -3.7065 -3.7065 -3.6426 -3.6426 -1.9766 -1.9766 2.3981 2.3981 2.4702 2.4702 8.2265 8.2265 8.3822 8.3822 8.7524 8.7524 12.0733 12.0733 k = 0.0357-0.0197-0.0065 ( 5247 PWs) bands (ev): -41.4759 -41.4759 -20.4298 -20.4298 -16.0496 -16.0496 -4.9243 -4.9243 -3.7123 -3.7123 -3.6455 -3.6455 -1.9766 -1.9766 2.3923 2.3923 2.4618 2.4618 8.2227 8.2227 8.3942 8.3942 8.7523 8.7523 12.0874 12.0874 k = 0.0446-0.0247-0.0081 ( 5250 PWs) bands (ev): -41.4759 -41.4759 -20.4283 -20.4283 -16.0488 -16.0488 -4.9215 -4.9215 -3.7198 -3.7198 -3.6489 -3.6489 -1.9766 -1.9766 2.3843 2.3843 2.4517 2.4517 8.2183 8.2183 8.4083 8.4083 8.7530 8.7530 12.1054 12.1054 k = 0.0536-0.0296-0.0097 ( 5253 PWs) bands (ev): -41.4758 -41.4758 -20.4265 -20.4265 -16.0478 -16.0478 -4.9180 -4.9180 -3.7293 -3.7293 -3.6527 -3.6527 -1.9766 -1.9766 2.3736 2.3736 2.4405 2.4405 8.2132 8.2132 8.4237 8.4237 8.7553 8.7553 12.1273 12.1273 k = 0.0625-0.0345-0.0114 ( 5255 PWs) bands (ev): -41.4758 -41.4758 -20.4244 -20.4244 -16.0466 -16.0466 -4.9140 -4.9140 -3.7407 -3.7407 -3.6568 -3.6568 -1.9766 -1.9766 2.3596 2.3596 2.4288 2.4288 8.2074 8.2074 8.4393 8.4393 8.7601 8.7601 12.1530 12.1530 k = 0.0714-0.0395-0.0130 ( 5256 PWs) bands (ev): -41.4757 -41.4757 -20.4220 -20.4220 -16.0453 -16.0453 -4.9095 -4.9095 -3.7539 -3.7539 -3.6612 -3.6612 -1.9766 -1.9766 2.3418 2.3418 2.4172 2.4172 8.2008 8.2008 8.4543 8.4543 8.7686 8.7686 12.1824 12.1824 k = 0.0804-0.0444-0.0146 ( 5260 PWs) bands (ev): -41.4756 -41.4756 -20.4193 -20.4193 -16.0438 -16.0438 -4.9045 -4.9045 -3.7690 -3.7690 -3.6658 -3.6658 -1.9766 -1.9766 2.3203 2.3203 2.4059 2.4059 8.1930 8.1930 8.4675 8.4675 8.7820 8.7820 12.2154 12.2154 k = 0.0893-0.0494-0.0162 ( 5263 PWs) bands (ev): -41.4756 -41.4756 -20.4163 -20.4163 -16.0421 -16.0421 -4.8990 -4.8990 -3.7857 -3.7857 -3.6706 -3.6706 -1.9766 -1.9766 2.2952 2.2952 2.3948 2.3948 8.1839 8.1839 8.4782 8.4782 8.8012 8.8012 12.2519 12.2519 k = 0.0982-0.0543-0.0179 ( 5263 PWs) bands (ev): -41.4755 -41.4755 -20.4130 -20.4130 -16.0403 -16.0403 -4.8930 -4.8930 -3.8040 -3.8040 -3.6756 -3.6756 -1.9767 -1.9767 2.2667 2.2667 2.3838 2.3838 8.1731 8.1731 8.4859 8.4859 8.8268 8.8268 12.2918 12.2918 k = 0.1071-0.0592-0.0195 ( 5258 PWs) bands (ev): -41.4754 -41.4754 -20.4094 -20.4094 -16.0383 -16.0383 -4.8868 -4.8868 -3.8238 -3.8238 -3.6808 -3.6808 -1.9768 -1.9768 2.2354 2.2354 2.3727 2.3727 8.1604 8.1604 8.4907 8.4907 8.8591 8.8591 12.3348 12.3348 k = 0.1161-0.0642-0.0211 ( 5257 PWs) bands (ev): -41.4752 -41.4752 -20.4056 -20.4056 -16.0362 -16.0362 -4.8802 -4.8802 -3.8447 -3.8447 -3.6861 -3.6861 -1.9768 -1.9768 2.2014 2.2014 2.3613 2.3613 8.1454 8.1454 8.4931 8.4931 8.8976 8.8976 12.3808 12.3808 k = 0.1250-0.0691-0.0227 ( 5259 PWs) bands (ev): -41.4751 -41.4751 -20.4015 -20.4015 -16.0339 -16.0339 -4.8734 -4.8734 -3.8667 -3.8667 -3.6917 -3.6917 -1.9770 -1.9770 2.1651 2.1651 2.3496 2.3496 8.1280 8.1280 8.4939 8.4939 8.9418 8.9418 12.4296 12.4296 k = 0.1339-0.0740-0.0244 ( 5260 PWs) bands (ev): -41.4750 -41.4750 -20.3972 -20.3972 -16.0315 -16.0315 -4.8665 -4.8665 -3.8896 -3.8896 -3.6975 -3.6975 -1.9771 -1.9771 2.1266 2.1266 2.3376 2.3376 8.1079 8.1079 8.4936 8.4936 8.9910 8.9910 12.4810 12.4810 k = 0.1429-0.0790-0.0260 ( 5260 PWs) bands (ev): -41.4749 -41.4749 -20.3927 -20.3927 -16.0290 -16.0290 -4.8596 -4.8596 -3.9131 -3.9131 -3.7035 -3.7035 -1.9773 -1.9773 2.0863 2.0863 2.3251 2.3251 8.0852 8.0852 8.4928 8.4928 9.0447 9.0447 12.5347 12.5347 k = 0.1518-0.0839-0.0276 ( 5260 PWs) bands (ev): -41.4747 -41.4747 -20.3879 -20.3879 -16.0263 -16.0263 -4.8527 -4.8527 -3.9370 -3.9370 -3.7097 -3.7097 -1.9776 -1.9776 2.0442 2.0442 2.3122 2.3122 8.0598 8.0598 8.4920 8.4920 9.1023 9.1023 12.5904 12.5904 k = 0.1607-0.0888-0.0292 ( 5259 PWs) bands (ev): -41.4746 -41.4746 -20.3830 -20.3830 -16.0236 -16.0236 -4.8461 -4.8461 -3.9612 -3.9612 -3.7161 -3.7161 -1.9779 -1.9779 2.0007 2.0007 2.2990 2.2990 8.0318 8.0318 8.4913 8.4913 9.1634 9.1634 12.6478 12.6478 k = 0.1696-0.0938-0.0309 ( 5257 PWs) bands (ev): -41.4745 -41.4745 -20.3778 -20.3778 -16.0207 -16.0207 -4.8398 -4.8398 -3.9853 -3.9853 -3.7226 -3.7226 -1.9783 -1.9783 1.9559 1.9559 2.2854 2.2854 8.0014 8.0014 8.4910 8.4910 9.2274 9.2274 12.7065 12.7065 k = 0.1786-0.0987-0.0325 ( 5258 PWs) bands (ev): -41.4743 -41.4743 -20.3725 -20.3725 -16.0178 -16.0178 -4.8341 -4.8341 -4.0092 -4.0092 -3.7293 -3.7293 -1.9788 -1.9788 1.9099 1.9099 2.2714 2.2714 7.9687 7.9687 8.4911 8.4911 9.2940 9.2940 12.7662 12.7662 k = 0.1875-0.1036-0.0341 ( 5257 PWs) bands (ev): -41.4742 -41.4742 -20.3670 -20.3670 -16.0148 -16.0148 -4.8290 -4.8290 -4.0324 -4.0324 -3.7362 -3.7362 -1.9793 -1.9793 1.8630 1.8630 2.2572 2.2572 7.9340 7.9340 8.4916 8.4916 9.3627 9.3627 12.8265 12.8265 k = 0.1964-0.1086-0.0357 ( 5256 PWs) bands (ev): -41.4740 -41.4740 -20.3614 -20.3614 -16.0117 -16.0117 -4.8248 -4.8248 -4.0548 -4.0548 -3.7431 -3.7431 -1.9800 -1.9800 1.8154 1.8154 2.2427 2.2427 7.8975 7.8975 8.4925 8.4925 9.4333 9.4333 12.8868 12.8868 k = 0.2054-0.1135-0.0374 ( 5258 PWs) bands (ev): -41.4738 -41.4738 -20.3557 -20.3557 -16.0085 -16.0085 -4.8217 -4.8217 -4.0761 -4.0761 -3.7502 -3.7502 -1.9807 -1.9807 1.7671 1.7671 2.2280 2.2280 7.8594 7.8594 8.4937 8.4937 9.5053 9.5053 12.9467 12.9467 k = 0.2143-0.1185-0.0390 ( 5259 PWs) bands (ev): -41.4737 -41.4737 -20.3498 -20.3498 -16.0053 -16.0053 -4.8199 -4.8199 -4.0959 -4.0959 -3.7573 -3.7573 -1.9816 -1.9816 1.7185 1.7185 2.2132 2.2132 7.8200 7.8200 8.4952 8.4952 9.5784 9.5784 13.0055 13.0055 k = 0.2232-0.1234-0.0406 ( 5262 PWs) bands (ev): -41.4735 -41.4735 -20.3439 -20.3439 -16.0021 -16.0021 -4.8196 -4.8196 -4.1141 -4.1141 -3.7645 -3.7645 -1.9826 -1.9826 1.6695 1.6695 2.1982 2.1982 7.7794 7.7794 8.4969 8.4969 9.6521 9.6521 13.0628 13.0628 k = 0.2321-0.1283-0.0422 ( 5264 PWs) bands (ev): -41.4733 -41.4733 -20.3379 -20.3379 -15.9988 -15.9988 -4.8210 -4.8210 -4.1302 -4.1302 -3.7717 -3.7717 -1.9838 -1.9838 1.6205 1.6205 2.1832 2.1832 7.7379 7.7379 8.4988 8.4988 9.7261 9.7261 13.1178 13.1178 k = 0.2411-0.1333-0.0439 ( 5267 PWs) bands (ev): -41.4732 -41.4732 -20.3319 -20.3319 -15.9955 -15.9955 -4.8243 -4.8243 -4.1441 -4.1441 -3.7790 -3.7790 -1.9850 -1.9850 1.5715 1.5715 2.1681 2.1681 7.6958 7.6958 8.5009 8.5009 9.8000 9.8000 13.1699 13.1699 k = 0.2500-0.1382-0.0455 ( 5266 PWs) bands (ev): -41.4730 -41.4730 -20.3258 -20.3258 -15.9922 -15.9922 -4.8295 -4.8295 -4.1556 -4.1556 -3.7862 -3.7862 -1.9865 -1.9865 1.5227 1.5227 2.1531 2.1531 7.6531 7.6531 8.5030 8.5030 9.8734 9.8734 13.2187 13.2187 k = 0.2589-0.1431-0.0471 ( 5270 PWs) bands (ev): -41.4728 -41.4728 -20.3197 -20.3197 -15.9888 -15.9888 -4.8367 -4.8367 -4.1647 -4.1647 -3.7935 -3.7935 -1.9880 -1.9880 1.4743 1.4743 2.1381 2.1381 7.6101 7.6101 8.5051 8.5051 9.9459 9.9459 13.2636 13.2636 k = 0.2679-0.1481-0.0487 ( 5271 PWs) bands (ev): -41.4727 -41.4727 -20.3136 -20.3136 -15.9855 -15.9855 -4.8459 -4.8459 -4.1712 -4.1712 -3.8007 -3.8007 -1.9898 -1.9898 1.4264 1.4264 2.1233 2.1233 7.5671 7.5671 8.5073 8.5073 10.0170 10.0170 13.3045 13.3045 k = 0.2768-0.1530-0.0504 ( 5272 PWs) bands (ev): -41.4725 -41.4725 -20.3076 -20.3076 -15.9822 -15.9822 -4.8571 -4.8571 -4.1751 -4.1751 -3.8078 -3.8078 -1.9917 -1.9917 1.3791 1.3791 2.1086 2.1086 7.5241 7.5241 8.5094 8.5094 10.0864 10.0864 13.3411 13.3411 k = 0.2857-0.1579-0.0520 ( 5275 PWs) bands (ev): -41.4723 -41.4723 -20.3016 -20.3016 -15.9790 -15.9790 -4.8700 -4.8700 -4.1767 -4.1767 -3.8148 -3.8148 -1.9938 -1.9938 1.3327 1.3327 2.0941 2.0941 7.4813 7.4813 8.5115 8.5115 10.1536 10.1536 13.3736 13.3736 k = 0.2946-0.1629-0.0536 ( 5279 PWs) bands (ev): -41.4722 -41.4722 -20.2957 -20.2957 -15.9757 -15.9757 -4.8845 -4.8845 -4.1761 -4.1761 -3.8218 -3.8218 -1.9960 -1.9960 1.2871 1.2871 2.0799 2.0799 7.4390 7.4390 8.5135 8.5135 10.2184 10.2184 13.4023 13.4023 k = 0.3036-0.1678-0.0552 ( 5275 PWs) bands (ev): -41.4720 -41.4720 -20.2898 -20.2898 -15.9726 -15.9726 -4.9003 -4.9003 -4.1734 -4.1734 -3.8286 -3.8286 -1.9984 -1.9984 1.2425 1.2425 2.0660 2.0660 7.3972 7.3972 8.5155 8.5155 10.2802 10.2802 13.4275 13.4275 k = 0.3125-0.1727-0.0568 ( 5276 PWs) bands (ev): -41.4719 -41.4719 -20.2840 -20.2840 -15.9694 -15.9694 -4.9172 -4.9172 -4.1689 -4.1689 -3.8352 -3.8352 -2.0010 -2.0010 1.1991 1.1991 2.0524 2.0524 7.3561 7.3561 8.5174 8.5174 10.3389 10.3389 13.4496 13.4496 k = 0.3214-0.1777-0.0585 ( 5275 PWs) bands (ev): -41.4717 -41.4717 -20.2784 -20.2784 -15.9664 -15.9664 -4.9349 -4.9349 -4.1628 -4.1628 -3.8417 -3.8417 -2.0037 -2.0037 1.1570 1.1570 2.0392 2.0392 7.3159 7.3159 8.5192 8.5192 10.3942 10.3942 13.4688 13.4688 k = 0.3304-0.1826-0.0601 ( 5277 PWs) bands (ev): -41.4716 -41.4716 -20.2729 -20.2729 -15.9634 -15.9634 -4.9532 -4.9532 -4.1554 -4.1554 -3.8481 -3.8481 -2.0066 -2.0066 1.1163 1.1163 2.0264 2.0264 7.2767 7.2767 8.5209 8.5209 10.4458 10.4458 13.4855 13.4855 k = 0.3393-0.1875-0.0617 ( 5278 PWs) bands (ev): -41.4714 -41.4714 -20.2676 -20.2676 -15.9606 -15.9606 -4.9718 -4.9718 -4.1470 -4.1470 -3.8542 -3.8542 -2.0095 -2.0095 1.0770 1.0770 2.0141 2.0141 7.2387 7.2387 8.5225 8.5225 10.4936 10.4936 13.4997 13.4997 k = 0.3482-0.1925-0.0633 ( 5284 PWs) bands (ev): -41.4713 -41.4713 -20.2624 -20.2624 -15.9578 -15.9578 -4.9905 -4.9905 -4.1377 -4.1377 -3.8601 -3.8601 -2.0126 -2.0126 1.0393 1.0393 2.0022 2.0022 7.2019 7.2019 8.5240 8.5240 10.5374 10.5374 13.5114 13.5114 k = 0.3571-0.1974-0.0650 ( 5284 PWs) bands (ev): -41.4711 -41.4711 -20.2575 -20.2575 -15.9551 -15.9551 -5.0091 -5.0091 -4.1277 -4.1277 -3.8658 -3.8658 -2.0158 -2.0158 1.0033 1.0033 1.9909 1.9909 7.1665 7.1665 8.5253 8.5253 10.5772 10.5772 13.5208 13.5208 k = 0.3661-0.2024-0.0666 ( 5284 PWs) bands (ev): -41.4710 -41.4710 -20.2527 -20.2527 -15.9525 -15.9525 -5.0274 -5.0274 -4.1174 -4.1174 -3.8712 -3.8712 -2.0190 -2.0190 0.9691 0.9691 1.9801 1.9801 7.1327 7.1327 8.5266 8.5266 10.6131 10.6131 13.5281 13.5281 k = 0.3750-0.2073-0.0682 ( 5282 PWs) bands (ev): -41.4709 -41.4709 -20.2482 -20.2482 -15.9501 -15.9501 -5.0451 -5.0451 -4.1068 -4.1068 -3.8764 -3.8764 -2.0223 -2.0223 0.9367 0.9367 1.9699 1.9699 7.1004 7.1004 8.5278 8.5278 10.6452 10.6452 13.5333 13.5333 k = 0.3839-0.2122-0.0698 ( 5281 PWs) bands (ev): -41.4708 -41.4708 -20.2439 -20.2439 -15.9478 -15.9478 -5.0622 -5.0622 -4.0962 -4.0962 -3.8813 -3.8813 -2.0256 -2.0256 0.9062 0.9062 1.9602 1.9602 7.0699 7.0699 8.5289 8.5289 10.6736 10.6736 13.5368 13.5368 k = 0.3929-0.2172-0.0715 ( 5281 PWs) bands (ev): -41.4707 -41.4707 -20.2399 -20.2399 -15.9457 -15.9457 -5.0786 -5.0786 -4.0856 -4.0856 -3.8859 -3.8859 -2.0288 -2.0288 0.8778 0.8778 1.9512 1.9512 7.0413 7.0413 8.5299 8.5299 10.6984 10.6984 13.5389 13.5389 k = 0.4018-0.2221-0.0731 ( 5287 PWs) bands (ev): -41.4706 -41.4706 -20.2361 -20.2361 -15.9436 -15.9436 -5.0940 -5.0940 -4.0754 -4.0754 -3.8902 -3.8902 -2.0320 -2.0320 0.8513 0.8513 1.9429 1.9429 7.0145 7.0145 8.5308 8.5308 10.7200 10.7200 13.5399 13.5399 k = 0.4107-0.2270-0.0747 ( 5289 PWs) bands (ev): -41.4705 -41.4705 -20.2326 -20.2326 -15.9418 -15.9418 -5.1084 -5.1084 -4.0655 -4.0655 -3.8942 -3.8942 -2.0351 -2.0351 0.8270 0.8270 1.9352 1.9352 6.9898 6.9898 8.5317 8.5317 10.7385 10.7385 13.5401 13.5401 k = 0.4196-0.2320-0.0763 ( 5290 PWs) bands (ev): -41.4704 -41.4704 -20.2295 -20.2295 -15.9401 -15.9401 -5.1217 -5.1217 -4.0561 -4.0561 -3.8979 -3.8979 -2.0380 -2.0380 0.8049 0.8049 1.9282 1.9282 6.9672 6.9672 8.5324 8.5324 10.7543 10.7543 13.5398 13.5398 k = 0.4286-0.2369-0.0780 ( 5291 PWs) bands (ev): -41.4703 -41.4703 -20.2266 -20.2266 -15.9385 -15.9385 -5.1338 -5.1338 -4.0473 -4.0473 -3.9013 -3.9013 -2.0408 -2.0408 0.7849 0.7849 1.9219 1.9219 6.9468 6.9468 8.5330 8.5330 10.7676 10.7676 13.5392 13.5392 k = 0.4375-0.2418-0.0796 ( 5291 PWs) bands (ev): -41.4702 -41.4702 -20.2240 -20.2240 -15.9372 -15.9372 -5.1446 -5.1446 -4.0393 -4.0393 -3.9043 -3.9043 -2.0433 -2.0433 0.7672 0.7672 1.9163 1.9163 6.9286 6.9286 8.5336 8.5336 10.7786 10.7786 13.5384 13.5384 k = 0.4464-0.2468-0.0812 ( 5290 PWs) bands (ev): -41.4702 -41.4702 -20.2218 -20.2218 -15.9360 -15.9360 -5.1541 -5.1541 -4.0322 -4.0322 -3.9070 -3.9070 -2.0456 -2.0456 0.7518 0.7518 1.9114 1.9114 6.9128 6.9128 8.5341 8.5341 10.7876 10.7876 13.5375 13.5375 k = 0.4554-0.2517-0.0828 ( 5292 PWs) bands (ev): -41.4701 -41.4701 -20.2199 -20.2199 -15.9349 -15.9349 -5.1623 -5.1623 -4.0260 -4.0260 -3.9093 -3.9093 -2.0476 -2.0476 0.7387 0.7387 1.9072 1.9072 6.8992 6.8992 8.5345 8.5345 10.7948 10.7948 13.5366 13.5366 k = 0.4643-0.2566-0.0845 ( 5296 PWs) bands (ev): -41.4701 -41.4701 -20.2183 -20.2183 -15.9341 -15.9341 -5.1690 -5.1690 -4.0207 -4.0207 -3.9112 -3.9112 -2.0493 -2.0493 0.7280 0.7280 1.9038 1.9038 6.8881 6.8881 8.5348 8.5348 10.8005 10.8005 13.5358 13.5358 k = 0.4732-0.2616-0.0861 ( 5296 PWs) bands (ev): -41.4700 -41.4700 -20.2171 -20.2171 -15.9335 -15.9335 -5.1742 -5.1742 -4.0166 -4.0166 -3.9127 -3.9127 -2.0506 -2.0506 0.7196 0.7196 1.9012 1.9012 6.8794 6.8794 8.5351 8.5351 10.8047 10.8047 13.5351 13.5351 k = 0.4821-0.2665-0.0877 ( 5296 PWs) bands (ev): -41.4700 -41.4700 -20.2162 -20.2162 -15.9330 -15.9330 -5.1780 -5.1780 -4.0136 -4.0136 -3.9138 -3.9138 -2.0516 -2.0516 0.7136 0.7136 1.8993 1.8993 6.8732 6.8732 8.5352 8.5352 10.8076 10.8076 13.5346 13.5346 k = 0.4911-0.2715-0.0893 ( 5297 PWs) bands (ev): -41.4700 -41.4700 -20.2157 -20.2157 -15.9327 -15.9327 -5.1803 -5.1803 -4.0118 -4.0118 -3.9145 -3.9145 -2.0521 -2.0521 0.7100 0.7100 1.8981 1.8981 6.8694 6.8694 8.5354 8.5354 10.8093 10.8093 13.5343 13.5343 k = 0.5000-0.2764-0.0910 ( 5300 PWs) bands (ev): -41.4700 -41.4700 -20.2155 -20.2155 -15.9326 -15.9326 -5.1810 -5.1810 -4.0112 -4.0112 -3.9147 -3.9147 -2.0523 -2.0523 0.7088 0.7088 1.8978 1.8978 6.8682 6.8682 8.5354 8.5354 10.8098 10.8098 13.5342 13.5342 k = 0.5000-0.2764 0.2528 ( 5290 PWs) bands (ev): -41.4700 -41.4700 -20.2063 -20.2063 -15.9603 -15.9603 -5.1990 -5.1990 -3.9968 -3.9968 -3.4185 -3.4185 -2.7573 -2.7573 0.8694 0.8694 2.4018 2.4018 6.6895 6.6895 7.5738 7.5738 11.6565 11.6565 13.6474 13.6474 k = 0.4918-0.2719 0.2487 ( 5292 PWs) bands (ev): -41.4700 -41.4700 -20.2064 -20.2064 -15.9604 -15.9604 -5.1983 -5.1983 -3.9966 -3.9966 -3.4208 -3.4208 -2.7551 -2.7551 0.8699 0.8699 2.4018 2.4018 6.6908 6.6908 7.5745 7.5745 11.6555 11.6555 13.6334 13.6334 k = 0.4836-0.2673 0.2445 ( 5293 PWs) bands (ev): -41.4700 -41.4700 -20.2069 -20.2069 -15.9605 -15.9605 -5.1963 -5.1963 -3.9961 -3.9961 -3.4275 -3.4275 -2.7483 -2.7483 0.8713 0.8713 2.4017 2.4017 6.6950 6.6950 7.5765 7.5765 11.6524 11.6524 13.6042 13.6042 k = 0.4754-0.2628 0.2404 ( 5295 PWs) bands (ev): -41.4700 -41.4700 -20.2077 -20.2077 -15.9608 -15.9608 -5.1931 -5.1931 -3.9951 -3.9951 -3.4384 -3.4384 -2.7373 -2.7373 0.8736 0.8736 2.4014 2.4014 6.7019 6.7019 7.5798 7.5798 11.6472 11.6472 13.5694 13.5694 k = 0.4672-0.2583 0.2362 ( 5296 PWs) bands (ev): -41.4701 -41.4701 -20.2088 -20.2088 -15.9612 -15.9612 -5.1885 -5.1885 -3.9938 -3.9938 -3.4530 -3.4530 -2.7227 -2.7227 0.8769 0.8769 2.4012 2.4012 6.7115 6.7115 7.5845 7.5845 11.6397 11.6397 13.5323 13.5323 k = 0.4590-0.2537 0.2321 ( 5295 PWs) bands (ev): -41.4701 -41.4701 -20.2102 -20.2102 -15.9617 -15.9617 -5.1827 -5.1827 -3.9922 -3.9922 -3.4707 -3.4707 -2.7048 -2.7048 0.8812 0.8812 2.4008 2.4008 6.7237 6.7237 7.5904 7.5904 11.6296 11.6296 13.4945 13.4945 k = 0.4508-0.2492 0.2279 ( 5295 PWs) bands (ev): -41.4701 -41.4701 -20.2119 -20.2119 -15.9623 -15.9623 -5.1757 -5.1757 -3.9902 -3.9902 -3.4911 -3.4911 -2.6843 -2.6843 0.8865 0.8865 2.4004 2.4004 6.7385 6.7385 7.5976 7.5976 11.6168 11.6168 13.4569 13.4569 k = 0.4426-0.2447 0.2238 ( 5291 PWs) bands (ev): -41.4702 -41.4702 -20.2139 -20.2139 -15.9631 -15.9631 -5.1674 -5.1674 -3.9878 -3.9878 -3.5136 -3.5136 -2.6616 -2.6616 0.8930 0.8930 2.3999 2.3999 6.7559 6.7559 7.6061 7.6061 11.6009 11.6009 13.4199 13.4199 k = 0.4344-0.2401 0.2196 ( 5287 PWs) bands (ev): -41.4702 -41.4702 -20.2162 -20.2162 -15.9639 -15.9639 -5.1580 -5.1580 -3.9852 -3.9852 -3.5377 -3.5377 -2.6373 -2.6373 0.9005 0.9005 2.3994 2.3994 6.7756 6.7756 7.6158 7.6158 11.5816 11.5816 13.3839 13.3839 k = 0.4262-0.2356 0.2155 ( 5287 PWs) bands (ev): -41.4703 -41.4703 -20.2188 -20.2188 -15.9649 -15.9649 -5.1474 -5.1474 -3.9822 -3.9822 -3.5630 -3.5630 -2.6117 -2.6117 0.9093 0.9093 2.3988 2.3988 6.7977 6.7977 7.6268 7.6268 11.5586 11.5586 13.3493 13.3493 k = 0.4180-0.2311 0.2114 ( 5283 PWs) bands (ev): -41.4704 -41.4704 -20.2216 -20.2216 -15.9659 -15.9659 -5.1358 -5.1358 -3.9790 -3.9790 -3.5892 -3.5892 -2.5853 -2.5853 0.9193 0.9193 2.3982 2.3982 6.8220 6.8220 7.6390 7.6390 11.5316 11.5316 13.3161 13.3161 k = 0.4098-0.2265 0.2072 ( 5284 PWs) bands (ev): -41.4705 -41.4705 -20.2247 -20.2247 -15.9671 -15.9671 -5.1231 -5.1231 -3.9756 -3.9756 -3.6158 -3.6158 -2.5584 -2.5584 0.9306 0.9306 2.3976 2.3976 6.8484 6.8484 7.6523 7.6523 11.5003 11.5003 13.2845 13.2845 k = 0.4016-0.2220 0.2031 ( 5283 PWs) bands (ev): -41.4705 -41.4705 -20.2281 -20.2281 -15.9683 -15.9683 -5.1094 -5.1094 -3.9720 -3.9720 -3.6426 -3.6426 -2.5311 -2.5311 0.9433 0.9433 2.3970 2.3970 6.8768 6.8768 7.6667 7.6667 11.4645 11.4645 13.2545 13.2545 k = 0.3934-0.2175 0.1989 ( 5283 PWs) bands (ev): -41.4706 -41.4706 -20.2317 -20.2317 -15.9697 -15.9697 -5.0949 -5.0949 -3.9684 -3.9684 -3.6693 -3.6693 -2.5038 -2.5038 0.9574 0.9574 2.3964 2.3964 6.9069 6.9069 7.6823 7.6823 11.4239 11.4239 13.2260 13.2260 k = 0.3852-0.2130 0.1948 ( 5285 PWs) bands (ev): -41.4707 -41.4707 -20.2356 -20.2356 -15.9711 -15.9711 -5.0795 -5.0795 -3.9647 -3.9647 -3.6956 -3.6956 -2.4766 -2.4766 0.9730 0.9730 2.3959 2.3959 6.9388 6.9388 7.6988 7.6988 11.3787 11.3787 13.1988 13.1988 k = 0.3770-0.2084 0.1906 ( 5285 PWs) bands (ev): -41.4708 -41.4708 -20.2397 -20.2397 -15.9726 -15.9726 -5.0634 -5.0634 -3.9611 -3.9611 -3.7212 -3.7212 -2.4498 -2.4498 0.9902 0.9902 2.3953 2.3953 6.9721 6.9721 7.7164 7.7164 11.3286 11.3286 13.1725 13.1725 k = 0.3689-0.2039 0.1865 ( 5285 PWs) bands (ev): -41.4710 -41.4710 -20.2440 -20.2440 -15.9743 -15.9743 -5.0466 -5.0466 -3.9578 -3.9578 -3.7458 -3.7458 -2.4234 -2.4234 1.0090 1.0090 2.3949 2.3949 7.0069 7.0069 7.7350 7.7350 11.2739 11.2739 13.1470 13.1470 k = 0.3607-0.1994 0.1823 ( 5287 PWs) bands (ev): -41.4711 -41.4711 -20.2485 -20.2485 -15.9760 -15.9760 -5.0293 -5.0293 -3.9551 -3.9551 -3.7689 -3.7689 -2.3975 -2.3975 1.0294 1.0294 2.3944 2.3944 7.0428 7.0428 7.7545 7.7545 11.2147 11.2147 13.1220 13.1220 k = 0.3525-0.1948 0.1782 ( 5286 PWs) bands (ev): -41.4712 -41.4712 -20.2532 -20.2532 -15.9777 -15.9777 -5.0116 -5.0116 -3.9534 -3.9534 -3.7901 -3.7901 -2.3724 -2.3724 1.0515 1.0515 2.3941 2.3941 7.0799 7.0799 7.7749 7.7749 11.1513 11.1513 13.0970 13.0970 k = 0.3443-0.1903 0.1741 ( 5284 PWs) bands (ev): -41.4713 -41.4713 -20.2581 -20.2581 -15.9796 -15.9796 -4.9936 -4.9936 -3.9530 -3.9530 -3.8086 -3.8086 -2.3480 -2.3480 1.0754 1.0754 2.3938 2.3938 7.1178 7.1178 7.7961 7.7961 11.0840 11.0840 13.0721 13.0721 k = 0.3361-0.1858 0.1699 ( 5286 PWs) bands (ev): -41.4715 -41.4715 -20.2631 -20.2631 -15.9815 -15.9815 -4.9755 -4.9755 -3.9547 -3.9547 -3.8238 -3.8238 -2.3244 -2.3244 1.1009 1.1009 2.3936 2.3936 7.1564 7.1564 7.8180 7.8180 11.0132 11.0132 13.0469 13.0469 k = 0.3279-0.1812 0.1658 ( 5284 PWs) bands (ev): -41.4716 -41.4716 -20.2683 -20.2683 -15.9835 -15.9835 -4.9574 -4.9574 -3.9590 -3.9590 -3.8350 -3.8350 -2.3017 -2.3017 1.1282 1.1282 2.3935 2.3935 7.1956 7.1956 7.8407 7.8407 10.9391 10.9391 13.0214 13.0214 k = 0.3197-0.1767 0.1616 ( 5281 PWs) bands (ev): -41.4717 -41.4717 -20.2736 -20.2736 -15.9855 -15.9855 -4.9394 -4.9394 -3.9659 -3.9659 -3.8420 -3.8420 -2.2800 -2.2800 1.1573 1.1573 2.3934 2.3934 7.2353 7.2353 7.8641 7.8641 10.8623 10.8623 12.9955 12.9955 k = 0.3115-0.1722 0.1575 ( 5280 PWs) bands (ev): -41.4719 -41.4719 -20.2790 -20.2790 -15.9876 -15.9876 -4.9218 -4.9218 -3.9750 -3.9750 -3.8451 -3.8451 -2.2592 -2.2592 1.1880 1.1880 2.3935 2.3935 7.2752 7.2752 7.8881 7.8881 10.7831 10.7831 12.9693 12.9693 k = 0.3033-0.1676 0.1533 ( 5280 PWs) bands (ev): -41.4720 -41.4720 -20.2846 -20.2846 -15.9898 -15.9898 -4.9047 -4.9047 -3.9854 -3.9854 -3.8450 -3.8450 -2.2393 -2.2393 1.2204 1.2204 2.3937 2.3937 7.3151 7.3151 7.9127 7.9127 10.7020 10.7020 12.9426 12.9426 k = 0.2951-0.1631 0.1492 ( 5281 PWs) bands (ev): -41.4722 -41.4722 -20.2902 -20.2902 -15.9920 -15.9920 -4.8884 -4.8884 -3.9961 -3.9961 -3.8427 -3.8427 -2.2205 -2.2205 1.2544 1.2544 2.3939 2.3939 7.3551 7.3551 7.9378 7.9378 10.6192 10.6192 12.9157 12.9157 k = 0.2869-0.1586 0.1450 ( 5279 PWs) bands (ev): -41.4723 -41.4723 -20.2959 -20.2959 -15.9942 -15.9942 -4.8731 -4.8731 -4.0062 -4.0062 -3.8387 -3.8387 -2.2027 -2.2027 1.2899 1.2899 2.3943 2.3943 7.3948 7.3948 7.9633 7.9633 10.5353 10.5353 12.8884 12.8884 k = 0.2787-0.1541 0.1409 ( 5277 PWs) bands (ev): -41.4725 -41.4725 -20.3016 -20.3016 -15.9965 -15.9965 -4.8589 -4.8589 -4.0152 -4.0152 -3.8335 -3.8335 -2.1858 -2.1858 1.3270 1.3270 2.3948 2.3948 7.4342 7.4342 7.9892 7.9892 10.4504 10.4504 12.8608 12.8608 k = 0.2705-0.1495 0.1368 ( 5269 PWs) bands (ev): -41.4726 -41.4726 -20.3074 -20.3074 -15.9988 -15.9988 -4.8460 -4.8460 -4.0226 -4.0226 -3.8275 -3.8275 -2.1699 -2.1699 1.3655 1.3655 2.3953 2.3953 7.4731 7.4731 8.0155 8.0155 10.3650 10.3650 12.8330 12.8330 k = 0.2623-0.1450 0.1326 ( 5266 PWs) bands (ev): -41.4728 -41.4728 -20.3132 -20.3132 -16.0011 -16.0011 -4.8346 -4.8346 -4.0281 -4.0281 -3.8209 -3.8209 -2.1549 -2.1549 1.4053 1.4053 2.3960 2.3960 7.5114 7.5114 8.0420 8.0420 10.2794 10.2794 12.8049 12.8049 k = 0.2541-0.1405 0.1285 ( 5263 PWs) bands (ev): -41.4729 -41.4729 -20.3191 -20.3191 -16.0034 -16.0034 -4.8250 -4.8250 -4.0314 -4.0314 -3.8139 -3.8139 -2.1409 -2.1409 1.4462 1.4462 2.3967 2.3967 7.5491 7.5491 8.0687 8.0687 10.1939 10.1939 12.7766 12.7766 k = 0.2459-0.1359 0.1243 ( 5265 PWs) bands (ev): -41.4731 -41.4731 -20.3249 -20.3249 -16.0058 -16.0058 -4.8170 -4.8170 -4.0323 -4.0323 -3.8066 -3.8066 -2.1277 -2.1277 1.4883 1.4883 2.3976 2.3976 7.5858 7.5858 8.0955 8.0955 10.1088 10.1088 12.7482 12.7482 k = 0.2377-0.1314 0.1202 ( 5266 PWs) bands (ev): -41.4732 -41.4732 -20.3307 -20.3307 -16.0081 -16.0081 -4.8109 -4.8109 -4.0309 -4.0309 -3.7991 -3.7991 -2.1154 -2.1154 1.5313 1.5313 2.3985 2.3985 7.6217 7.6217 8.1224 8.1224 10.0243 10.0243 12.7195 12.7195 k = 0.2295-0.1269 0.1160 ( 5262 PWs) bands (ev): -41.4734 -41.4734 -20.3364 -20.3364 -16.0104 -16.0104 -4.8067 -4.8067 -4.0271 -4.0271 -3.7914 -3.7914 -2.1038 -2.1038 1.5751 1.5751 2.3994 2.3994 7.6566 7.6566 8.1493 8.1493 9.9407 9.9407 12.6907 12.6907 k = 0.2213-0.1223 0.1119 ( 5265 PWs) bands (ev): -41.4735 -41.4735 -20.3421 -20.3421 -16.0128 -16.0128 -4.8043 -4.8043 -4.0210 -4.0210 -3.7836 -3.7836 -2.0931 -2.0931 1.6196 1.6196 2.4005 2.4005 7.6904 7.6904 8.1761 8.1761 9.8583 9.8583 12.6618 12.6618 k = 0.2131-0.1178 0.1077 ( 5268 PWs) bands (ev): -41.4737 -41.4737 -20.3478 -20.3478 -16.0151 -16.0151 -4.8035 -4.8035 -4.0128 -4.0128 -3.7757 -3.7757 -2.0830 -2.0830 1.6646 1.6646 2.4016 2.4016 7.7231 7.7231 8.2026 8.2026 9.7772 9.7772 12.6327 12.6327 k = 0.2049-0.1133 0.1036 ( 5268 PWs) bands (ev): -41.4738 -41.4738 -20.3533 -20.3533 -16.0174 -16.0174 -4.8044 -4.8044 -4.0025 -4.0025 -3.7679 -3.7679 -2.0736 -2.0736 1.7100 1.7100 2.4028 2.4028 7.7546 7.7546 8.2289 8.2289 9.6977 9.6977 12.6035 12.6035 k = 0.1967-0.1087 0.0995 ( 5267 PWs) bands (ev): -41.4740 -41.4740 -20.3588 -20.3588 -16.0196 -16.0196 -4.8067 -4.8067 -3.9904 -3.9904 -3.7600 -3.7600 -2.0649 -2.0649 1.7555 1.7555 2.4040 2.4040 7.7850 7.7850 8.2547 8.2547 9.6199 9.6199 12.5741 12.5741 k = 0.1885-0.1042 0.0953 ( 5270 PWs) bands (ev): -41.4741 -41.4741 -20.3642 -20.3642 -16.0219 -16.0219 -4.8103 -4.8103 -3.9768 -3.9768 -3.7523 -3.7523 -2.0568 -2.0568 1.8010 1.8010 2.4053 2.4053 7.8141 7.8141 8.2801 8.2801 9.5441 9.5441 12.5447 12.5447 k = 0.1803-0.0997 0.0912 ( 5275 PWs) bands (ev): -41.4743 -41.4743 -20.3694 -20.3694 -16.0240 -16.0240 -4.8149 -4.8149 -3.9619 -3.9619 -3.7446 -3.7446 -2.0492 -2.0492 1.8464 1.8464 2.4066 2.4066 7.8420 7.8420 8.3048 8.3048 9.4705 9.4705 12.5151 12.5151 k = 0.1721-0.0952 0.0870 ( 5266 PWs) bands (ev): -41.4744 -41.4744 -20.3745 -20.3745 -16.0262 -16.0262 -4.8205 -4.8205 -3.9459 -3.9459 -3.7371 -3.7371 -2.0421 -2.0421 1.8914 1.8914 2.4079 2.4079 7.8687 7.8687 8.3288 8.3288 9.3992 9.3992 12.4856 12.4856 k = 0.1639-0.0906 0.0829 ( 5268 PWs) bands (ev): -41.4746 -41.4746 -20.3794 -20.3794 -16.0283 -16.0283 -4.8267 -4.8267 -3.9292 -3.9292 -3.7296 -3.7296 -2.0355 -2.0355 1.9358 1.9358 2.4093 2.4093 7.8942 7.8942 8.3518 8.3518 9.3305 9.3305 12.4560 12.4560 k = 0.1557-0.0861 0.0787 ( 5269 PWs) bands (ev): -41.4747 -41.4747 -20.3842 -20.3842 -16.0303 -16.0303 -4.8335 -4.8335 -3.9119 -3.9119 -3.7224 -3.7224 -2.0294 -2.0294 1.9795 1.9795 2.4107 2.4107 7.9187 7.9187 8.3738 8.3738 9.2644 9.2644 12.4265 12.4265 k = 0.1475-0.0816 0.0746 ( 5271 PWs) bands (ev): -41.4748 -41.4748 -20.3888 -20.3888 -16.0322 -16.0322 -4.8407 -4.8407 -3.8942 -3.8942 -3.7153 -3.7153 -2.0237 -2.0237 2.0223 2.0223 2.4121 2.4121 7.9420 7.9420 8.3946 8.3946 9.2012 9.2012 12.3971 12.3971 k = 0.1393-0.0770 0.0705 ( 5269 PWs) bands (ev): -41.4749 -41.4749 -20.3933 -20.3933 -16.0341 -16.0341 -4.8481 -4.8481 -3.8765 -3.8765 -3.7085 -3.7085 -2.0184 -2.0184 2.0640 2.0640 2.4135 2.4135 7.9643 7.9643 8.4139 8.4139 9.1411 9.1411 12.3679 12.3679 k = 0.1311-0.0725 0.0663 ( 5264 PWs) bands (ev): -41.4751 -41.4751 -20.3975 -20.3975 -16.0359 -16.0359 -4.8557 -4.8557 -3.8589 -3.8589 -3.7018 -3.7018 -2.0135 -2.0135 2.1044 2.1044 2.4150 2.4150 7.9856 7.9856 8.4316 8.4316 9.0844 9.0844 12.3390 12.3390 k = 0.1230-0.0680 0.0622 ( 5261 PWs) bands (ev): -41.4752 -41.4752 -20.4016 -20.4016 -16.0377 -16.0377 -4.8632 -4.8632 -3.8415 -3.8415 -3.6954 -3.6954 -2.0089 -2.0089 2.1433 2.1433 2.4165 2.4165 8.0061 8.0061 8.4473 8.4473 9.0312 9.0312 12.3106 12.3106 k = 0.1148-0.0634 0.0580 ( 5261 PWs) bands (ev): -41.4753 -41.4753 -20.4054 -20.4054 -16.0393 -16.0393 -4.8706 -4.8706 -3.8247 -3.8247 -3.6892 -3.6892 -2.0047 -2.0047 2.1804 2.1804 2.4181 2.4181 8.0257 8.0257 8.4607 8.4607 8.9819 8.9819 12.2828 12.2828 k = 0.1066-0.0589 0.0539 ( 5258 PWs) bands (ev): -41.4754 -41.4754 -20.4090 -20.4090 -16.0409 -16.0409 -4.8779 -4.8779 -3.8084 -3.8084 -3.6833 -3.6833 -2.0008 -2.0008 2.2156 2.2156 2.4198 2.4198 8.0447 8.0447 8.4714 8.4714 8.9368 8.9368 12.2557 12.2557 k = 0.0984-0.0544 0.0497 ( 5256 PWs) bands (ev): -41.4755 -41.4755 -20.4123 -20.4123 -16.0423 -16.0423 -4.8848 -4.8848 -3.7929 -3.7929 -3.6777 -3.6777 -1.9972 -1.9972 2.2487 2.2487 2.4217 2.4217 8.0630 8.0630 8.4790 8.4790 8.8965 8.8965 12.2296 12.2296 k = 0.0902-0.0498 0.0456 ( 5255 PWs) bands (ev): -41.4755 -41.4755 -20.4155 -20.4155 -16.0437 -16.0437 -4.8915 -4.8915 -3.7784 -3.7784 -3.6723 -3.6723 -1.9939 -1.9939 2.2794 2.2794 2.4239 2.4239 8.0808 8.0808 8.4829 8.4829 8.8613 8.8613 12.2046 12.2046 k = 0.0820-0.0453 0.0414 ( 5256 PWs) bands (ev): -41.4756 -41.4756 -20.4184 -20.4184 -16.0449 -16.0449 -4.8977 -4.8977 -3.7648 -3.7648 -3.6672 -3.6672 -1.9909 -1.9909 2.3073 2.3073 2.4265 2.4265 8.0982 8.0982 8.4827 8.4827 8.8316 8.8316 12.1808 12.1808 k = 0.0738-0.0408 0.0373 ( 5251 PWs) bands (ev): -41.4757 -41.4757 -20.4210 -20.4210 -16.0461 -16.0461 -4.9035 -4.9035 -3.7524 -3.7524 -3.6624 -3.6624 -1.9882 -1.9882 2.3321 2.3321 2.4297 2.4297 8.1151 8.1151 8.4782 8.4782 8.8077 8.8077 12.1586 12.1586 k = 0.0656-0.0362 0.0332 ( 5255 PWs) bands (ev): -41.4758 -41.4758 -20.4233 -20.4233 -16.0471 -16.0471 -4.9087 -4.9087 -3.7413 -3.7413 -3.6580 -3.6580 -1.9858 -1.9858 2.3533 2.3533 2.4340 2.4340 8.1318 8.1318 8.4695 8.4695 8.7893 8.7893 12.1381 12.1381 k = 0.0574-0.0317 0.0290 ( 5254 PWs) bands (ev): -41.4758 -41.4758 -20.4254 -20.4254 -16.0480 -16.0480 -4.9135 -4.9135 -3.7313 -3.7313 -3.6538 -3.6538 -1.9836 -1.9836 2.3704 2.3704 2.4397 2.4397 8.1482 8.1482 8.4572 8.4572 8.7760 8.7760 12.1195 12.1195 k = 0.0492-0.0272 0.0249 ( 5253 PWs) bands (ev): -41.4759 -41.4759 -20.4273 -20.4273 -16.0488 -16.0488 -4.9176 -4.9176 -3.7228 -3.7228 -3.6501 -3.6501 -1.9818 -1.9818 2.3832 2.3832 2.4469 2.4469 8.1643 8.1643 8.4421 8.4421 8.7669 8.7669 12.1030 12.1030 k = 0.0410-0.0227 0.0207 ( 5249 PWs) bands (ev): -41.4759 -41.4759 -20.4288 -20.4288 -16.0495 -16.0495 -4.9212 -4.9212 -3.7156 -3.7156 -3.6468 -3.6468 -1.9802 -1.9802 2.3919 2.3919 2.4552 2.4552 8.1800 8.1800 8.4254 8.4254 8.7610 8.7610 12.0887 12.0887 k = 0.0328-0.0181 0.0166 ( 5246 PWs) bands (ev): -41.4759 -41.4759 -20.4301 -20.4301 -16.0501 -16.0501 -4.9241 -4.9241 -3.7097 -3.7097 -3.6439 -3.6439 -1.9789 -1.9789 2.3976 2.3976 2.4636 2.4636 8.1951 8.1951 8.4084 8.4084 8.7573 8.7573 12.0768 12.0768 k = 0.0246-0.0136 0.0124 ( 5245 PWs) bands (ev): -41.4760 -41.4760 -20.4311 -20.4311 -16.0505 -16.0505 -4.9264 -4.9264 -3.7052 -3.7052 -3.6416 -3.6416 -1.9779 -1.9779 2.4012 2.4012 2.4711 2.4711 8.2090 8.2090 8.3922 8.3922 8.7552 8.7552 12.0674 12.0674 k = 0.0164-0.0091 0.0083 ( 5242 PWs) bands (ev): -41.4760 -41.4760 -20.4318 -20.4318 -16.0508 -16.0508 -4.9281 -4.9281 -3.7020 -3.7020 -3.6400 -3.6400 -1.9772 -1.9772 2.4034 2.4034 2.4768 2.4768 8.2208 8.2208 8.3783 8.3783 8.7541 8.7541 12.0607 12.0607 k = 0.0082-0.0045 0.0041 ( 5242 PWs) bands (ev): -41.4760 -41.4760 -20.4323 -20.4323 -16.0510 -16.0510 -4.9291 -4.9291 -3.7000 -3.7000 -3.6389 -3.6389 -1.9768 -1.9768 2.4046 2.4046 2.4804 2.4804 8.2290 8.2290 8.3687 8.3687 8.7536 8.7536 12.0566 12.0566 k = 0.0000 0.0000 0.0000 ( 5241 PWs) bands (ev): -41.4760 -41.4760 -20.4324 -20.4324 -16.0511 -16.0511 -4.9294 -4.9294 -3.6994 -3.6994 -3.6386 -3.6386 -1.9766 -1.9766 2.4049 2.4049 2.4816 2.4816 8.2320 8.2320 8.3652 8.3652 8.7534 8.7534 12.0552 12.0552 Writing output data file LiN3.save init_run : 0.09s CPU 0.24s WALL ( 1 calls) electrons : 73.00s CPU 74.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 73.00s CPU 74.57s 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 : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 465 calls) cegterg : 65.24s CPU 66.25s WALL ( 542 calls) Called by sum_band: Called by *egterg: h_psi : 42.16s CPU 43.50s WALL ( 8783 calls) s_psi : 0.88s CPU 0.92s WALL ( 8783 calls) g_psi : 0.15s CPU 0.17s WALL ( 7776 calls) cdiaghg : 21.66s CPU 21.47s WALL ( 8241 calls) cegterg:over : 2.44s CPU 2.39s WALL ( 7776 calls) cegterg:upda : 2.07s CPU 2.06s WALL ( 7776 calls) cegterg:last : 1.03s CPU 1.22s WALL ( 1472 calls) cdiaghg:chol : 1.09s CPU 1.19s WALL ( 8241 calls) cdiaghg:inve : 0.46s CPU 0.39s WALL ( 8241 calls) cdiaghg:para : 1.31s CPU 1.43s WALL ( 16482 calls) Called by h_psi: h_psi:vloc : 39.62s CPU 40.90s WALL ( 8783 calls) h_psi:vnl : 2.46s CPU 2.50s WALL ( 8783 calls) add_vuspsi : 1.06s CPU 1.05s WALL ( 8783 calls) General routines calbec : 1.38s CPU 1.43s WALL ( 8783 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 37.46s CPU 38.76s WALL ( 471284 calls) davcio : 0.21s CPU 0.21s WALL ( 930 calls) Parallel routines fft_scatter : 13.82s CPU 14.27s WALL ( 471299 calls) PWSCF : 1m26.42s CPU 1m44.26s WALL This run was terminated on: 20:36: 4 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=