Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:34:40 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: ./NbAl3.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 49 35 10 875 526 86 Max 50 36 11 877 543 88 Sum 1769 1277 379 31555 19199 3131 bravais-lattice index = 14 lattice parameter (alat) = 9.6203 a.u. unit-cell volume = 429.2260 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.620337 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.714928 celldm(5)= -0.714928 celldm(6)= 0.429857 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.429857 0.902897 0.000000 ) a(3) = ( -0.714928 -0.451449 0.533921 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.476086 0.936468 ) b(2) = ( 0.000000 1.107546 0.936468 ) b(3) = ( 0.000000 0.000000 1.872936 ) PseudoPot. # 1 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Nb 13.00 92.90640 Nb( 1.00) Al 3.00 26.98150 Al( 1.00) 4 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 383 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 2) = ( 0.0000000 0.0000000 0.0161460), wk = 0.0026110 k( 3) = ( 0.0000000 0.0000000 0.0322920), wk = 0.0026110 k( 4) = ( 0.0000000 0.0000000 0.0484380), wk = 0.0026110 k( 5) = ( 0.0000000 0.0000000 0.0645840), wk = 0.0026110 k( 6) = ( 0.0000000 0.0000000 0.0807300), wk = 0.0026110 k( 7) = ( 0.0000000 0.0000000 0.0968760), wk = 0.0026110 k( 8) = ( 0.0000000 0.0000000 0.1130220), wk = 0.0026110 k( 9) = ( 0.0000000 0.0000000 0.1291680), wk = 0.0026110 k( 10) = ( 0.0000000 0.0000000 0.1453140), wk = 0.0026110 k( 11) = ( 0.0000000 0.0000000 0.1614600), wk = 0.0026110 k( 12) = ( 0.0000000 0.0000000 0.1776061), wk = 0.0026110 k( 13) = ( 0.0000000 0.0000000 0.1937521), wk = 0.0026110 k( 14) = ( 0.0000000 0.0000000 0.2098981), wk = 0.0026110 k( 15) = ( 0.0000000 0.0000000 0.2260441), wk = 0.0026110 k( 16) = ( 0.0000000 0.0000000 0.2421901), wk = 0.0026110 k( 17) = ( 0.0000000 0.0000000 0.2583361), wk = 0.0026110 k( 18) = ( 0.0000000 0.0000000 0.2744821), wk = 0.0026110 k( 19) = ( 0.0000000 0.0000000 0.2906281), wk = 0.0026110 k( 20) = ( 0.0000000 0.0000000 0.3067741), wk = 0.0026110 k( 21) = ( 0.0000000 0.0000000 0.3229201), wk = 0.0026110 k( 22) = ( 0.0000000 0.0000000 0.3390661), wk = 0.0026110 k( 23) = ( 0.0000000 0.0000000 0.3552121), wk = 0.0026110 k( 24) = ( 0.0000000 0.0000000 0.3713581), wk = 0.0026110 k( 25) = ( 0.0000000 0.0000000 0.3875041), wk = 0.0026110 k( 26) = ( 0.0000000 0.0000000 0.4036501), wk = 0.0026110 k( 27) = ( 0.0000000 0.0000000 0.4197961), wk = 0.0026110 k( 28) = ( 0.0000000 0.0000000 0.4359421), wk = 0.0026110 k( 29) = ( 0.0000000 0.0000000 0.4520881), wk = 0.0026110 k( 30) = ( 0.0000000 0.0000000 0.4682341), wk = 0.0026110 k( 31) = ( 0.0000000 0.0000000 0.4843801), wk = 0.0026110 k( 32) = ( 0.0000000 0.0000000 0.5005261), wk = 0.0026110 k( 33) = ( 0.0000000 0.0000000 0.5166721), wk = 0.0026110 k( 34) = ( 0.0000000 0.0000000 0.5328181), wk = 0.0026110 k( 35) = ( 0.0000000 0.0000000 0.5489641), wk = 0.0026110 k( 36) = ( 0.0000000 0.0000000 0.5651101), wk = 0.0026110 k( 37) = ( 0.0000000 0.0000000 0.5812562), wk = 0.0026110 k( 38) = ( 0.0000000 0.0000000 0.5974022), wk = 0.0026110 k( 39) = ( 0.0000000 0.0000000 0.6135482), wk = 0.0026110 k( 40) = ( 0.0000000 0.0000000 0.6296942), wk = 0.0026110 k( 41) = ( 0.0000000 0.0000000 0.6458402), wk = 0.0026110 k( 42) = ( 0.0000000 0.0000000 0.6619862), wk = 0.0026110 k( 43) = ( 0.0000000 0.0000000 0.6781322), wk = 0.0026110 k( 44) = ( 0.0000000 0.0000000 0.6942782), wk = 0.0026110 k( 45) = ( 0.0000000 0.0000000 0.7104242), wk = 0.0026110 k( 46) = ( 0.0000000 0.0000000 0.7265702), wk = 0.0026110 k( 47) = ( 0.0000000 0.0000000 0.7427162), wk = 0.0026110 k( 48) = ( 0.0000000 0.0000000 0.7588622), wk = 0.0026110 k( 49) = ( 0.0000000 0.0000000 0.7750082), wk = 0.0026110 k( 50) = ( 0.0000000 0.0000000 0.7911542), wk = 0.0026110 k( 51) = ( 0.0000000 0.0000000 0.8073002), wk = 0.0026110 k( 52) = ( 0.0000000 0.0000000 0.8234462), wk = 0.0026110 k( 53) = ( 0.0000000 0.0000000 0.8395922), wk = 0.0026110 k( 54) = ( 0.0000000 0.0000000 0.8557382), wk = 0.0026110 k( 55) = ( 0.0000000 0.0000000 0.8718842), wk = 0.0026110 k( 56) = ( 0.0000000 0.0000000 0.8880302), wk = 0.0026110 k( 57) = ( 0.0000000 0.0000000 0.9041762), wk = 0.0026110 k( 58) = ( 0.0000000 0.0000000 0.9203222), wk = 0.0026110 k( 59) = ( 0.0000000 0.0000000 0.9364682), wk = 0.0026110 k( 60) = ( 0.0000000 0.0000000 0.9364682), wk = 0.0026110 k( 61) = ( -0.0083071 0.0131554 0.9364682), wk = 0.0026110 k( 62) = ( -0.0166142 0.0263108 0.9364682), wk = 0.0026110 k( 63) = ( -0.0249213 0.0394662 0.9364682), wk = 0.0026110 k( 64) = ( -0.0332284 0.0526216 0.9364682), wk = 0.0026110 k( 65) = ( -0.0415356 0.0657771 0.9364682), wk = 0.0026110 k( 66) = ( -0.0498427 0.0789325 0.9364682), wk = 0.0026110 k( 67) = ( -0.0581498 0.0920879 0.9364682), wk = 0.0026110 k( 68) = ( -0.0664569 0.1052433 0.9364682), wk = 0.0026110 k( 69) = ( -0.0747640 0.1183987 0.9364682), wk = 0.0026110 k( 70) = ( -0.0830711 0.1315541 0.9364682), wk = 0.0026110 k( 71) = ( -0.0913782 0.1447095 0.9364682), wk = 0.0026110 k( 72) = ( -0.0996854 0.1578649 0.9364682), wk = 0.0026110 k( 73) = ( -0.0996854 0.1578649 0.9364682), wk = 0.0026110 k( 74) = ( -0.1057507 0.1674703 0.9251082), wk = 0.0026110 k( 75) = ( -0.1118161 0.1770756 0.9137481), wk = 0.0026110 k( 76) = ( -0.1178815 0.1866809 0.9023881), wk = 0.0026110 k( 77) = ( -0.1239468 0.1962862 0.8910280), wk = 0.0026110 k( 78) = ( -0.1300122 0.2058915 0.8796679), wk = 0.0026110 k( 79) = ( -0.1360776 0.2154969 0.8683079), wk = 0.0026110 k( 80) = ( -0.1421430 0.2251022 0.8569478), wk = 0.0026110 k( 81) = ( -0.1482083 0.2347075 0.8455878), wk = 0.0026110 k( 82) = ( -0.1542737 0.2443128 0.8342277), wk = 0.0026110 k( 83) = ( -0.1603391 0.2539182 0.8228677), wk = 0.0026110 k( 84) = ( -0.1664045 0.2635235 0.8115076), wk = 0.0026110 k( 85) = ( -0.1724698 0.2731288 0.8001475), wk = 0.0026110 k( 86) = ( -0.1785352 0.2827341 0.7887875), wk = 0.0026110 k( 87) = ( -0.1846006 0.2923394 0.7774274), wk = 0.0026110 k( 88) = ( -0.1906660 0.3019447 0.7660674), wk = 0.0026110 k( 89) = ( -0.1967313 0.3115501 0.7547073), wk = 0.0026110 k( 90) = ( -0.2027967 0.3211554 0.7433472), wk = 0.0026110 k( 91) = ( -0.2088621 0.3307607 0.7319872), wk = 0.0026110 k( 92) = ( -0.2149274 0.3403660 0.7206271), wk = 0.0026110 k( 93) = ( -0.2209928 0.3499714 0.7092671), wk = 0.0026110 k( 94) = ( -0.2270582 0.3595767 0.6979070), wk = 0.0026110 k( 95) = ( -0.2331236 0.3691820 0.6865469), wk = 0.0026110 k( 96) = ( -0.2391889 0.3787873 0.6751869), wk = 0.0026110 k( 97) = ( -0.2452543 0.3883926 0.6638268), wk = 0.0026110 k( 98) = ( -0.2513197 0.3979980 0.6524668), wk = 0.0026110 k( 99) = ( -0.2573851 0.4076033 0.6411067), wk = 0.0026110 k( 100) = ( -0.2634504 0.4172086 0.6297466), wk = 0.0026110 k( 101) = ( -0.2695158 0.4268139 0.6183866), wk = 0.0026110 k( 102) = ( -0.2755812 0.4364192 0.6070265), wk = 0.0026110 k( 103) = ( -0.2816466 0.4460246 0.5956665), wk = 0.0026110 k( 104) = ( -0.2877119 0.4556299 0.5843064), wk = 0.0026110 k( 105) = ( -0.2937773 0.4652352 0.5729463), wk = 0.0026110 k( 106) = ( -0.2998427 0.4748405 0.5615863), wk = 0.0026110 k( 107) = ( -0.2998427 0.4748405 0.5615863), wk = 0.0026110 k( 108) = ( -0.2938458 0.4653437 0.5503546), wk = 0.0026110 k( 109) = ( -0.2878490 0.4558469 0.5391228), wk = 0.0026110 k( 110) = ( -0.2818521 0.4463501 0.5278911), wk = 0.0026110 k( 111) = ( -0.2758553 0.4368533 0.5166594), wk = 0.0026110 k( 112) = ( -0.2698584 0.4273565 0.5054277), wk = 0.0026110 k( 113) = ( -0.2638616 0.4178597 0.4941959), wk = 0.0026110 k( 114) = ( -0.2578647 0.4083628 0.4829642), wk = 0.0026110 k( 115) = ( -0.2518679 0.3988660 0.4717325), wk = 0.0026110 k( 116) = ( -0.2458710 0.3893692 0.4605007), wk = 0.0026110 k( 117) = ( -0.2398741 0.3798724 0.4492690), wk = 0.0026110 k( 118) = ( -0.2338773 0.3703756 0.4380373), wk = 0.0026110 k( 119) = ( -0.2278804 0.3608788 0.4268056), wk = 0.0026110 k( 120) = ( -0.2218836 0.3513820 0.4155738), wk = 0.0026110 k( 121) = ( -0.2158867 0.3418852 0.4043421), wk = 0.0026110 k( 122) = ( -0.2098899 0.3323884 0.3931104), wk = 0.0026110 k( 123) = ( -0.2038930 0.3228916 0.3818787), wk = 0.0026110 k( 124) = ( -0.1978962 0.3133948 0.3706470), wk = 0.0026110 k( 125) = ( -0.1918993 0.3038979 0.3594152), wk = 0.0026110 k( 126) = ( -0.1859025 0.2944011 0.3481835), wk = 0.0026110 k( 127) = ( -0.1799056 0.2849043 0.3369518), wk = 0.0026110 k( 128) = ( -0.1739088 0.2754075 0.3257200), wk = 0.0026110 k( 129) = ( -0.1679119 0.2659107 0.3144883), wk = 0.0026110 k( 130) = ( -0.1619151 0.2564139 0.3032566), wk = 0.0026110 k( 131) = ( -0.1559182 0.2469171 0.2920249), wk = 0.0026110 k( 132) = ( -0.1499213 0.2374203 0.2807931), wk = 0.0026110 k( 133) = ( -0.1439245 0.2279234 0.2695614), wk = 0.0026110 k( 134) = ( -0.1379276 0.2184266 0.2583297), wk = 0.0026110 k( 135) = ( -0.1319308 0.2089298 0.2470980), wk = 0.0026110 k( 136) = ( -0.1259339 0.1994330 0.2358662), wk = 0.0026110 k( 137) = ( -0.1199371 0.1899362 0.2246345), wk = 0.0026110 k( 138) = ( -0.1139402 0.1804394 0.2134028), wk = 0.0026110 k( 139) = ( -0.1079434 0.1709426 0.2021711), wk = 0.0026110 k( 140) = ( -0.1019465 0.1614458 0.1909393), wk = 0.0026110 k( 141) = ( -0.0959497 0.1519490 0.1797076), wk = 0.0026110 k( 142) = ( -0.0899528 0.1424522 0.1684759), wk = 0.0026110 k( 143) = ( -0.0839560 0.1329553 0.1572442), wk = 0.0026110 k( 144) = ( -0.0779591 0.1234585 0.1460124), wk = 0.0026110 k( 145) = ( -0.0719622 0.1139617 0.1347807), wk = 0.0026110 k( 146) = ( -0.0659654 0.1044649 0.1235490), wk = 0.0026110 k( 147) = ( -0.0599685 0.0949681 0.1123173), wk = 0.0026110 k( 148) = ( -0.0539717 0.0854713 0.1010855), wk = 0.0026110 k( 149) = ( -0.0479748 0.0759745 0.0898538), wk = 0.0026110 k( 150) = ( -0.0419780 0.0664777 0.0786221), wk = 0.0026110 k( 151) = ( -0.0359811 0.0569809 0.0673904), wk = 0.0026110 k( 152) = ( -0.0299843 0.0474841 0.0561586), wk = 0.0026110 k( 153) = ( -0.0239874 0.0379872 0.0449269), wk = 0.0026110 k( 154) = ( -0.0179906 0.0284904 0.0336952), wk = 0.0026110 k( 155) = ( -0.0119937 0.0189936 0.0224635), wk = 0.0026110 k( 156) = ( -0.0059968 0.0094968 0.0112317), wk = 0.0026110 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 159) = ( 0.0135135 0.0085332 0.0000000), wk = 0.0026110 k( 160) = ( 0.0270270 0.0170665 0.0000000), wk = 0.0026110 k( 161) = ( 0.0405405 0.0255997 -0.0000000), wk = 0.0026110 k( 162) = ( 0.0540540 0.0341330 0.0000000), wk = 0.0026110 k( 163) = ( 0.0675676 0.0426662 0.0000000), wk = 0.0026110 k( 164) = ( 0.0810811 0.0511994 -0.0000000), wk = 0.0026110 k( 165) = ( 0.0945946 0.0597327 0.0000000), wk = 0.0026110 k( 166) = ( 0.1081081 0.0682659 -0.0000000), wk = 0.0026110 k( 167) = ( 0.1216216 0.0767992 0.0000000), wk = 0.0026110 k( 168) = ( 0.1351351 0.0853324 0.0000000), wk = 0.0026110 k( 169) = ( 0.1486486 0.0938656 -0.0000000), wk = 0.0026110 k( 170) = ( 0.1621622 0.1023989 -0.0000000), wk = 0.0026110 k( 171) = ( 0.1756757 0.1109321 0.0000000), wk = 0.0026110 k( 172) = ( 0.1891892 0.1194654 0.0000000), wk = 0.0026110 k( 173) = ( 0.2027027 0.1279986 0.0000000), wk = 0.0026110 k( 174) = ( 0.2162162 0.1365318 -0.0000000), wk = 0.0026110 k( 175) = ( 0.2297297 0.1450651 0.0000000), wk = 0.0026110 k( 176) = ( 0.2432432 0.1535983 0.0000000), wk = 0.0026110 k( 177) = ( 0.2567568 0.1621316 0.0000000), wk = 0.0026110 k( 178) = ( 0.2702703 0.1706648 0.0000000), wk = 0.0026110 k( 179) = ( 0.2837838 0.1791980 -0.0000000), wk = 0.0026110 k( 180) = ( 0.2972973 0.1877313 -0.0000000), wk = 0.0026110 k( 181) = ( 0.3108108 0.1962645 0.0000000), wk = 0.0026110 k( 182) = ( 0.3243243 0.2047978 -0.0000000), wk = 0.0026110 k( 183) = ( 0.3378378 0.2133310 0.0000000), wk = 0.0026110 k( 184) = ( 0.3513514 0.2218642 0.0000000), wk = 0.0026110 k( 185) = ( 0.3648649 0.2303975 -0.0000000), wk = 0.0026110 k( 186) = ( 0.3783784 0.2389307 0.0000000), wk = 0.0026110 k( 187) = ( 0.3918919 0.2474640 0.0000000), wk = 0.0026110 k( 188) = ( 0.4054054 0.2559972 0.0000000), wk = 0.0026110 k( 189) = ( 0.4189189 0.2645304 0.0000000), wk = 0.0026110 k( 190) = ( 0.4324324 0.2730637 0.0000000), wk = 0.0026110 k( 191) = ( 0.4459459 0.2815969 0.0000000), wk = 0.0026110 k( 192) = ( 0.4594595 0.2901302 0.0000000), wk = 0.0026110 k( 193) = ( 0.4729730 0.2986634 0.0000000), wk = 0.0026110 k( 194) = ( 0.4864865 0.3071966 0.0000000), wk = 0.0026110 k( 195) = ( 0.5000000 0.3157299 0.0000000), wk = 0.0026110 k( 196) = ( 0.5000000 0.3157299 0.0000000), wk = 0.0026110 k( 197) = ( 0.4939346 0.3253352 0.0113601), wk = 0.0026110 k( 198) = ( 0.4878692 0.3349405 0.0227201), wk = 0.0026110 k( 199) = ( 0.4818039 0.3445458 0.0340802), wk = 0.0026110 k( 200) = ( 0.4757385 0.3541511 0.0454402), wk = 0.0026110 k( 201) = ( 0.4696731 0.3637565 0.0568003), wk = 0.0026110 k( 202) = ( 0.4636078 0.3733618 0.0681604), wk = 0.0026110 k( 203) = ( 0.4575424 0.3829671 0.0795204), wk = 0.0026110 k( 204) = ( 0.4514770 0.3925724 0.0908805), wk = 0.0026110 k( 205) = ( 0.4454116 0.4021778 0.1022405), wk = 0.0026110 k( 206) = ( 0.4393463 0.4117831 0.1136006), wk = 0.0026110 k( 207) = ( 0.4332809 0.4213884 0.1249607), wk = 0.0026110 k( 208) = ( 0.4272155 0.4309937 0.1363207), wk = 0.0026110 k( 209) = ( 0.4211502 0.4405990 0.1476808), wk = 0.0026110 k( 210) = ( 0.4150848 0.4502044 0.1590408), wk = 0.0026110 k( 211) = ( 0.4090194 0.4598097 0.1704009), wk = 0.0026110 k( 212) = ( 0.4029540 0.4694150 0.1817610), wk = 0.0026110 k( 213) = ( 0.3968887 0.4790203 0.1931210), wk = 0.0026110 k( 214) = ( 0.3908233 0.4886256 0.2044811), wk = 0.0026110 k( 215) = ( 0.3847579 0.4982310 0.2158411), wk = 0.0026110 k( 216) = ( 0.3786925 0.5078363 0.2272012), wk = 0.0026110 k( 217) = ( 0.3726272 0.5174416 0.2385612), wk = 0.0026110 k( 218) = ( 0.3665618 0.5270469 0.2499213), wk = 0.0026110 k( 219) = ( 0.3604964 0.5366523 0.2612814), wk = 0.0026110 k( 220) = ( 0.3544310 0.5462576 0.2726414), wk = 0.0026110 k( 221) = ( 0.3483657 0.5558629 0.2840015), wk = 0.0026110 k( 222) = ( 0.3423003 0.5654682 0.2953615), wk = 0.0026110 k( 223) = ( 0.3362349 0.5750735 0.3067216), wk = 0.0026110 k( 224) = ( 0.3301695 0.5846789 0.3180817), wk = 0.0026110 k( 225) = ( 0.3241042 0.5942842 0.3294417), wk = 0.0026110 k( 226) = ( 0.3180388 0.6038895 0.3408018), wk = 0.0026110 k( 227) = ( 0.3119734 0.6134948 0.3521618), wk = 0.0026110 k( 228) = ( 0.3059080 0.6231001 0.3635219), wk = 0.0026110 k( 229) = ( 0.2998427 0.6327055 0.3748819), wk = 0.0026110 k( 230) = ( 0.2998427 0.6327055 0.3748819), wk = 0.0026110 k( 231) = ( 0.2848505 0.6287588 0.3795496), wk = 0.0026110 k( 232) = ( 0.2698584 0.6248122 0.3842172), wk = 0.0026110 k( 233) = ( 0.2548663 0.6208656 0.3888848), wk = 0.0026110 k( 234) = ( 0.2398741 0.6169190 0.3935524), wk = 0.0026110 k( 235) = ( 0.2248820 0.6129723 0.3982200), wk = 0.0026110 k( 236) = ( 0.2098899 0.6090257 0.4028876), wk = 0.0026110 k( 237) = ( 0.1948977 0.6050791 0.4075552), wk = 0.0026110 k( 238) = ( 0.1799056 0.6011325 0.4122228), wk = 0.0026110 k( 239) = ( 0.1649135 0.5971859 0.4168904), wk = 0.0026110 k( 240) = ( 0.1499213 0.5932392 0.4215580), wk = 0.0026110 k( 241) = ( 0.1349292 0.5892926 0.4262257), wk = 0.0026110 k( 242) = ( 0.1199371 0.5853460 0.4308933), wk = 0.0026110 k( 243) = ( 0.1049449 0.5813994 0.4355609), wk = 0.0026110 k( 244) = ( 0.0899528 0.5774527 0.4402285), wk = 0.0026110 k( 245) = ( 0.0749607 0.5735061 0.4448961), wk = 0.0026110 k( 246) = ( 0.0599685 0.5695595 0.4495637), wk = 0.0026110 k( 247) = ( 0.0449764 0.5656129 0.4542313), wk = 0.0026110 k( 248) = ( 0.0299843 0.5616662 0.4588989), wk = 0.0026110 k( 249) = ( 0.0149921 0.5577196 0.4635665), wk = 0.0026110 k( 250) = ( 0.0000000 0.5537730 0.4682341), wk = 0.0026110 k( 251) = ( 0.0000000 0.5537730 0.4682341), wk = 0.0026110 k( 252) = ( 0.0060976 0.5441167 0.4796545), wk = 0.0026110 k( 253) = ( 0.0121951 0.5344604 0.4910748), wk = 0.0026110 k( 254) = ( 0.0182927 0.5248041 0.5024951), wk = 0.0026110 k( 255) = ( 0.0243902 0.5151478 0.5139155), wk = 0.0026110 k( 256) = ( 0.0304878 0.5054915 0.5253358), wk = 0.0026110 k( 257) = ( 0.0365854 0.4958352 0.5367562), wk = 0.0026110 k( 258) = ( 0.0426829 0.4861789 0.5481765), wk = 0.0026110 k( 259) = ( 0.0487805 0.4765226 0.5595969), wk = 0.0026110 k( 260) = ( 0.0548780 0.4668663 0.5710172), wk = 0.0026110 k( 261) = ( 0.0609756 0.4572101 0.5824376), wk = 0.0026110 k( 262) = ( 0.0670732 0.4475538 0.5938579), wk = 0.0026110 k( 263) = ( 0.0731707 0.4378975 0.6052782), wk = 0.0026110 k( 264) = ( 0.0792683 0.4282412 0.6166986), wk = 0.0026110 k( 265) = ( 0.0853658 0.4185849 0.6281189), wk = 0.0026110 k( 266) = ( 0.0914634 0.4089286 0.6395393), wk = 0.0026110 k( 267) = ( 0.0975610 0.3992723 0.6509596), wk = 0.0026110 k( 268) = ( 0.1036585 0.3896160 0.6623800), wk = 0.0026110 k( 269) = ( 0.1097561 0.3799597 0.6738003), wk = 0.0026110 k( 270) = ( 0.1158537 0.3703034 0.6852207), wk = 0.0026110 k( 271) = ( 0.1219512 0.3606471 0.6966410), wk = 0.0026110 k( 272) = ( 0.1280488 0.3509908 0.7080613), wk = 0.0026110 k( 273) = ( 0.1341463 0.3413345 0.7194817), wk = 0.0026110 k( 274) = ( 0.1402439 0.3316782 0.7309020), wk = 0.0026110 k( 275) = ( 0.1463415 0.3220219 0.7423224), wk = 0.0026110 k( 276) = ( 0.1524390 0.3123656 0.7537427), wk = 0.0026110 k( 277) = ( 0.1585366 0.3027093 0.7651631), wk = 0.0026110 k( 278) = ( 0.1646342 0.2930530 0.7765834), wk = 0.0026110 k( 279) = ( 0.1707317 0.2833968 0.7880038), wk = 0.0026110 k( 280) = ( 0.1768293 0.2737405 0.7994241), wk = 0.0026110 k( 281) = ( 0.1829268 0.2640842 0.8108444), wk = 0.0026110 k( 282) = ( 0.1890244 0.2544279 0.8222648), wk = 0.0026110 k( 283) = ( 0.1951219 0.2447716 0.8336851), wk = 0.0026110 k( 284) = ( 0.2012195 0.2351153 0.8451055), wk = 0.0026110 k( 285) = ( 0.2073171 0.2254590 0.8565258), wk = 0.0026110 k( 286) = ( 0.2134146 0.2158027 0.8679462), wk = 0.0026110 k( 287) = ( 0.2195122 0.2061464 0.8793665), wk = 0.0026110 k( 288) = ( 0.2256098 0.1964901 0.8907869), wk = 0.0026110 k( 289) = ( 0.2317073 0.1868338 0.9022072), wk = 0.0026110 k( 290) = ( 0.2378049 0.1771775 0.9136276), wk = 0.0026110 k( 291) = ( 0.2439024 0.1675212 0.9250479), wk = 0.0026110 k( 292) = ( 0.2500000 0.1578649 0.9364682), wk = 0.0026110 k( 293) = ( 0.2500000 0.1578649 0.9364682), wk = 0.0026110 k( 294) = ( 0.2613636 0.1650406 0.9279817), wk = 0.0026110 k( 295) = ( 0.2727273 0.1722163 0.9194951), wk = 0.0026110 k( 296) = ( 0.2840909 0.1793920 0.9110085), wk = 0.0026110 k( 297) = ( 0.2954545 0.1865677 0.9025220), wk = 0.0026110 k( 298) = ( 0.3068182 0.1937433 0.8940354), wk = 0.0026110 k( 299) = ( 0.3181818 0.2009190 0.8855489), wk = 0.0026110 k( 300) = ( 0.3295455 0.2080947 0.8770623), wk = 0.0026110 k( 301) = ( 0.3409091 0.2152704 0.8685757), wk = 0.0026110 k( 302) = ( 0.3522727 0.2224460 0.8600892), wk = 0.0026110 k( 303) = ( 0.3636364 0.2296217 0.8516026), wk = 0.0026110 k( 304) = ( 0.3750000 0.2367974 0.8431161), wk = 0.0026110 k( 305) = ( 0.3863636 0.2439731 0.8346295), wk = 0.0026110 k( 306) = ( 0.3977273 0.2511488 0.8261430), wk = 0.0026110 k( 307) = ( 0.4090909 0.2583244 0.8176564), wk = 0.0026110 k( 308) = ( 0.4204545 0.2655001 0.8091698), wk = 0.0026110 k( 309) = ( 0.4318182 0.2726758 0.8006833), wk = 0.0026110 k( 310) = ( 0.4431818 0.2798515 0.7921967), wk = 0.0026110 k( 311) = ( 0.4545455 0.2870272 0.7837101), wk = 0.0026110 k( 312) = ( 0.4659091 0.2942028 0.7752236), wk = 0.0026110 k( 313) = ( 0.4772727 0.3013785 0.7667370), wk = 0.0026110 k( 314) = ( 0.4886364 0.3085542 0.7582505), wk = 0.0026110 k( 315) = ( 0.5000000 0.3157299 0.7497639), wk = 0.0026110 k( 316) = ( 0.5000000 0.3157299 0.7497639), wk = 0.0026110 k( 317) = ( 0.5000000 0.3157299 0.7338115), wk = 0.0026110 k( 318) = ( 0.5000000 0.3157299 0.7178591), wk = 0.0026110 k( 319) = ( 0.5000000 0.3157299 0.7019066), wk = 0.0026110 k( 320) = ( 0.5000000 0.3157299 0.6859542), wk = 0.0026110 k( 321) = ( 0.5000000 0.3157299 0.6700018), wk = 0.0026110 k( 322) = ( 0.5000000 0.3157299 0.6540494), wk = 0.0026110 k( 323) = ( 0.5000000 0.3157299 0.6380969), wk = 0.0026110 k( 324) = ( 0.5000000 0.3157299 0.6221445), wk = 0.0026110 k( 325) = ( 0.5000000 0.3157299 0.6061921), wk = 0.0026110 k( 326) = ( 0.5000000 0.3157299 0.5902397), wk = 0.0026110 k( 327) = ( 0.5000000 0.3157299 0.5742873), wk = 0.0026110 k( 328) = ( 0.5000000 0.3157299 0.5583348), wk = 0.0026110 k( 329) = ( 0.5000000 0.3157299 0.5423824), wk = 0.0026110 k( 330) = ( 0.5000000 0.3157299 0.5264300), wk = 0.0026110 k( 331) = ( 0.5000000 0.3157299 0.5104775), wk = 0.0026110 k( 332) = ( 0.5000000 0.3157299 0.4945251), wk = 0.0026110 k( 333) = ( 0.5000000 0.3157299 0.4785727), wk = 0.0026110 k( 334) = ( 0.5000000 0.3157299 0.4626203), wk = 0.0026110 k( 335) = ( 0.5000000 0.3157299 0.4466679), wk = 0.0026110 k( 336) = ( 0.5000000 0.3157299 0.4307154), wk = 0.0026110 k( 337) = ( 0.5000000 0.3157299 0.4147630), wk = 0.0026110 k( 338) = ( 0.5000000 0.3157299 0.3988106), wk = 0.0026110 k( 339) = ( 0.5000000 0.3157299 0.3828582), wk = 0.0026110 k( 340) = ( 0.5000000 0.3157299 0.3669057), wk = 0.0026110 k( 341) = ( 0.5000000 0.3157299 0.3509533), wk = 0.0026110 k( 342) = ( 0.5000000 0.3157299 0.3350009), wk = 0.0026110 k( 343) = ( 0.5000000 0.3157299 0.3190485), wk = 0.0026110 k( 344) = ( 0.5000000 0.3157299 0.3030961), wk = 0.0026110 k( 345) = ( 0.5000000 0.3157299 0.2871436), wk = 0.0026110 k( 346) = ( 0.5000000 0.3157299 0.2711912), wk = 0.0026110 k( 347) = ( 0.5000000 0.3157299 0.2552388), wk = 0.0026110 k( 348) = ( 0.5000000 0.3157299 0.2392863), wk = 0.0026110 k( 349) = ( 0.5000000 0.3157299 0.2233339), wk = 0.0026110 k( 350) = ( 0.5000000 0.3157299 0.2073815), wk = 0.0026110 k( 351) = ( 0.5000000 0.3157299 0.1914291), wk = 0.0026110 k( 352) = ( 0.5000000 0.3157299 0.1754767), wk = 0.0026110 k( 353) = ( 0.5000000 0.3157299 0.1595242), wk = 0.0026110 k( 354) = ( 0.5000000 0.3157299 0.1435718), wk = 0.0026110 k( 355) = ( 0.5000000 0.3157299 0.1276194), wk = 0.0026110 k( 356) = ( 0.5000000 0.3157299 0.1116670), wk = 0.0026110 k( 357) = ( 0.5000000 0.3157299 0.0957145), wk = 0.0026110 k( 358) = ( 0.5000000 0.3157299 0.0797621), wk = 0.0026110 k( 359) = ( 0.5000000 0.3157299 0.0638097), wk = 0.0026110 k( 360) = ( 0.5000000 0.3157299 0.0478573), wk = 0.0026110 k( 361) = ( 0.5000000 0.3157299 0.0319049), wk = 0.0026110 k( 362) = ( 0.5000000 0.3157299 0.0159524), wk = 0.0026110 k( 363) = ( 0.5000000 0.3157299 0.0000000), wk = 0.0026110 k( 364) = ( 0.0000000 0.0000000 0.9364682), wk = 0.0026110 k( 365) = ( 0.0131579 0.0083087 0.9364682), wk = 0.0026110 k( 366) = ( 0.0263158 0.0166174 0.9364682), wk = 0.0026110 k( 367) = ( 0.0394737 0.0249260 0.9364682), wk = 0.0026110 k( 368) = ( 0.0526316 0.0332347 0.9364682), wk = 0.0026110 k( 369) = ( 0.0657895 0.0415434 0.9364682), wk = 0.0026110 k( 370) = ( 0.0789474 0.0498521 0.9364682), wk = 0.0026110 k( 371) = ( 0.0921053 0.0581608 0.9364682), wk = 0.0026110 k( 372) = ( 0.1052632 0.0664694 0.9364682), wk = 0.0026110 k( 373) = ( 0.1184210 0.0747781 0.9364682), wk = 0.0026110 k( 374) = ( 0.1315790 0.0830868 0.9364682), wk = 0.0026110 k( 375) = ( 0.1447368 0.0913955 0.9364682), wk = 0.0026110 k( 376) = ( 0.1578947 0.0997042 0.9364682), wk = 0.0026110 k( 377) = ( 0.1710526 0.1080128 0.9364682), wk = 0.0026110 k( 378) = ( 0.1842105 0.1163215 0.9364682), wk = 0.0026110 k( 379) = ( 0.1973684 0.1246302 0.9364682), wk = 0.0026110 k( 380) = ( 0.2105263 0.1329389 0.9364682), wk = 0.0026110 k( 381) = ( 0.2236842 0.1412476 0.9364682), wk = 0.0026110 k( 382) = ( 0.2368421 0.1495563 0.9364682), wk = 0.0026110 k( 383) = ( 0.2500000 0.1578649 0.9364682), wk = 0.0026110 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 2) = ( 0.0000000 0.0000000 0.0086207), wk = 0.0026110 k( 3) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0026110 k( 4) = ( 0.0000000 0.0000000 0.0258621), wk = 0.0026110 k( 5) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0026110 k( 6) = ( 0.0000000 0.0000000 0.0431035), wk = 0.0026110 k( 7) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0026110 k( 8) = ( 0.0000000 0.0000000 0.0603448), wk = 0.0026110 k( 9) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0026110 k( 10) = ( 0.0000000 0.0000000 0.0775862), wk = 0.0026110 k( 11) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0026110 k( 12) = ( 0.0000000 0.0000000 0.0948276), wk = 0.0026110 k( 13) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0026110 k( 14) = ( 0.0000000 0.0000000 0.1120690), wk = 0.0026110 k( 15) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0026110 k( 16) = ( 0.0000000 0.0000000 0.1293103), wk = 0.0026110 k( 17) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0026110 k( 18) = ( 0.0000000 0.0000000 0.1465517), wk = 0.0026110 k( 19) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0026110 k( 20) = ( 0.0000000 0.0000000 0.1637931), wk = 0.0026110 k( 21) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0026110 k( 22) = ( 0.0000000 0.0000000 0.1810345), wk = 0.0026110 k( 23) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0026110 k( 24) = ( 0.0000000 0.0000000 0.1982759), wk = 0.0026110 k( 25) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0026110 k( 26) = ( 0.0000000 0.0000000 0.2155172), wk = 0.0026110 k( 27) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0026110 k( 28) = ( 0.0000000 0.0000000 0.2327586), wk = 0.0026110 k( 29) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0026110 k( 30) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026110 k( 31) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0026110 k( 32) = ( 0.0000000 0.0000000 0.2672414), wk = 0.0026110 k( 33) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0026110 k( 34) = ( 0.0000000 0.0000000 0.2844828), wk = 0.0026110 k( 35) = ( 0.0000000 0.0000000 0.2931035), wk = 0.0026110 k( 36) = ( 0.0000000 0.0000000 0.3017241), wk = 0.0026110 k( 37) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0026110 k( 38) = ( 0.0000000 0.0000000 0.3189655), wk = 0.0026110 k( 39) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0026110 k( 40) = ( 0.0000000 0.0000000 0.3362069), wk = 0.0026110 k( 41) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0026110 k( 42) = ( 0.0000000 0.0000000 0.3534483), wk = 0.0026110 k( 43) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0026110 k( 44) = ( 0.0000000 0.0000000 0.3706897), wk = 0.0026110 k( 45) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0026110 k( 46) = ( 0.0000000 0.0000000 0.3879310), wk = 0.0026110 k( 47) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0026110 k( 48) = ( 0.0000000 0.0000000 0.4051724), wk = 0.0026110 k( 49) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0026110 k( 50) = ( 0.0000000 0.0000000 0.4224138), wk = 0.0026110 k( 51) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0026110 k( 52) = ( 0.0000000 0.0000000 0.4396552), wk = 0.0026110 k( 53) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0026110 k( 54) = ( 0.0000000 0.0000000 0.4568966), wk = 0.0026110 k( 55) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0026110 k( 56) = ( 0.0000000 0.0000000 0.4741379), wk = 0.0026110 k( 57) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0026110 k( 58) = ( 0.0000000 0.0000000 0.4913793), wk = 0.0026110 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026110 k( 60) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026110 k( 61) = ( -0.0083071 0.0083071 0.5000000), wk = 0.0026110 k( 62) = ( -0.0166142 0.0166142 0.5000000), wk = 0.0026110 k( 63) = ( -0.0249213 0.0249213 0.5000000), wk = 0.0026110 k( 64) = ( -0.0332284 0.0332284 0.5000000), wk = 0.0026110 k( 65) = ( -0.0415356 0.0415356 0.5000000), wk = 0.0026110 k( 66) = ( -0.0498427 0.0498427 0.5000000), wk = 0.0026110 k( 67) = ( -0.0581498 0.0581498 0.5000000), wk = 0.0026110 k( 68) = ( -0.0664569 0.0664569 0.5000000), wk = 0.0026110 k( 69) = ( -0.0747640 0.0747640 0.5000000), wk = 0.0026110 k( 70) = ( -0.0830711 0.0830711 0.5000000), wk = 0.0026110 k( 71) = ( -0.0913782 0.0913782 0.5000000), wk = 0.0026110 k( 72) = ( -0.0996854 0.0996854 0.5000000), wk = 0.0026110 k( 73) = ( -0.0996854 0.0996854 0.5000000), wk = 0.0026110 k( 74) = ( -0.1057507 0.1057507 0.4939346), wk = 0.0026110 k( 75) = ( -0.1118161 0.1118161 0.4878692), wk = 0.0026110 k( 76) = ( -0.1178815 0.1178815 0.4818039), wk = 0.0026110 k( 77) = ( -0.1239468 0.1239469 0.4757385), wk = 0.0026110 k( 78) = ( -0.1300122 0.1300122 0.4696731), wk = 0.0026110 k( 79) = ( -0.1360776 0.1360776 0.4636078), wk = 0.0026110 k( 80) = ( -0.1421430 0.1421430 0.4575424), wk = 0.0026110 k( 81) = ( -0.1482083 0.1482083 0.4514770), wk = 0.0026110 k( 82) = ( -0.1542737 0.1542737 0.4454116), wk = 0.0026110 k( 83) = ( -0.1603391 0.1603391 0.4393463), wk = 0.0026110 k( 84) = ( -0.1664045 0.1664045 0.4332809), wk = 0.0026110 k( 85) = ( -0.1724698 0.1724698 0.4272155), wk = 0.0026110 k( 86) = ( -0.1785352 0.1785352 0.4211502), wk = 0.0026110 k( 87) = ( -0.1846006 0.1846006 0.4150848), wk = 0.0026110 k( 88) = ( -0.1906660 0.1906660 0.4090194), wk = 0.0026110 k( 89) = ( -0.1967313 0.1967313 0.4029540), wk = 0.0026110 k( 90) = ( -0.2027967 0.2027967 0.3968887), wk = 0.0026110 k( 91) = ( -0.2088621 0.2088621 0.3908233), wk = 0.0026110 k( 92) = ( -0.2149274 0.2149275 0.3847579), wk = 0.0026110 k( 93) = ( -0.2209928 0.2209928 0.3786925), wk = 0.0026110 k( 94) = ( -0.2270582 0.2270582 0.3726272), wk = 0.0026110 k( 95) = ( -0.2331236 0.2331236 0.3665618), wk = 0.0026110 k( 96) = ( -0.2391889 0.2391889 0.3604964), wk = 0.0026110 k( 97) = ( -0.2452543 0.2452543 0.3544310), wk = 0.0026110 k( 98) = ( -0.2513197 0.2513197 0.3483657), wk = 0.0026110 k( 99) = ( -0.2573851 0.2573851 0.3423003), wk = 0.0026110 k( 100) = ( -0.2634504 0.2634504 0.3362349), wk = 0.0026110 k( 101) = ( -0.2695158 0.2695158 0.3301695), wk = 0.0026110 k( 102) = ( -0.2755812 0.2755812 0.3241042), wk = 0.0026110 k( 103) = ( -0.2816466 0.2816466 0.3180388), wk = 0.0026110 k( 104) = ( -0.2877119 0.2877119 0.3119734), wk = 0.0026110 k( 105) = ( -0.2937773 0.2937773 0.3059080), wk = 0.0026110 k( 106) = ( -0.2998427 0.2998427 0.2998427), wk = 0.0026110 k( 107) = ( -0.2998427 0.2998427 0.2998427), wk = 0.0026110 k( 108) = ( -0.2938458 0.2938458 0.2938458), wk = 0.0026110 k( 109) = ( -0.2878490 0.2878490 0.2878490), wk = 0.0026110 k( 110) = ( -0.2818521 0.2818521 0.2818521), wk = 0.0026110 k( 111) = ( -0.2758553 0.2758553 0.2758553), wk = 0.0026110 k( 112) = ( -0.2698584 0.2698584 0.2698584), wk = 0.0026110 k( 113) = ( -0.2638616 0.2638616 0.2638616), wk = 0.0026110 k( 114) = ( -0.2578647 0.2578647 0.2578647), wk = 0.0026110 k( 115) = ( -0.2518679 0.2518679 0.2518679), wk = 0.0026110 k( 116) = ( -0.2458710 0.2458710 0.2458710), wk = 0.0026110 k( 117) = ( -0.2398741 0.2398741 0.2398741), wk = 0.0026110 k( 118) = ( -0.2338773 0.2338773 0.2338773), wk = 0.0026110 k( 119) = ( -0.2278804 0.2278804 0.2278804), wk = 0.0026110 k( 120) = ( -0.2218836 0.2218836 0.2218836), wk = 0.0026110 k( 121) = ( -0.2158867 0.2158867 0.2158867), wk = 0.0026110 k( 122) = ( -0.2098899 0.2098899 0.2098899), wk = 0.0026110 k( 123) = ( -0.2038930 0.2038930 0.2038930), wk = 0.0026110 k( 124) = ( -0.1978962 0.1978962 0.1978962), wk = 0.0026110 k( 125) = ( -0.1918993 0.1918993 0.1918993), wk = 0.0026110 k( 126) = ( -0.1859025 0.1859025 0.1859025), wk = 0.0026110 k( 127) = ( -0.1799056 0.1799056 0.1799056), wk = 0.0026110 k( 128) = ( -0.1739088 0.1739088 0.1739088), wk = 0.0026110 k( 129) = ( -0.1679119 0.1679119 0.1679119), wk = 0.0026110 k( 130) = ( -0.1619151 0.1619151 0.1619151), wk = 0.0026110 k( 131) = ( -0.1559182 0.1559182 0.1559182), wk = 0.0026110 k( 132) = ( -0.1499213 0.1499213 0.1499213), wk = 0.0026110 k( 133) = ( -0.1439245 0.1439245 0.1439245), wk = 0.0026110 k( 134) = ( -0.1379276 0.1379276 0.1379276), wk = 0.0026110 k( 135) = ( -0.1319308 0.1319308 0.1319308), wk = 0.0026110 k( 136) = ( -0.1259339 0.1259339 0.1259339), wk = 0.0026110 k( 137) = ( -0.1199371 0.1199371 0.1199371), wk = 0.0026110 k( 138) = ( -0.1139402 0.1139402 0.1139402), wk = 0.0026110 k( 139) = ( -0.1079434 0.1079434 0.1079434), wk = 0.0026110 k( 140) = ( -0.1019465 0.1019465 0.1019465), wk = 0.0026110 k( 141) = ( -0.0959497 0.0959497 0.0959497), wk = 0.0026110 k( 142) = ( -0.0899528 0.0899528 0.0899528), wk = 0.0026110 k( 143) = ( -0.0839560 0.0839560 0.0839560), wk = 0.0026110 k( 144) = ( -0.0779591 0.0779591 0.0779591), wk = 0.0026110 k( 145) = ( -0.0719622 0.0719622 0.0719622), wk = 0.0026110 k( 146) = ( -0.0659654 0.0659654 0.0659654), wk = 0.0026110 k( 147) = ( -0.0599685 0.0599685 0.0599685), wk = 0.0026110 k( 148) = ( -0.0539717 0.0539717 0.0539717), wk = 0.0026110 k( 149) = ( -0.0479748 0.0479748 0.0479748), wk = 0.0026110 k( 150) = ( -0.0419780 0.0419780 0.0419780), wk = 0.0026110 k( 151) = ( -0.0359811 0.0359811 0.0359811), wk = 0.0026110 k( 152) = ( -0.0299843 0.0299843 0.0299843), wk = 0.0026110 k( 153) = ( -0.0239874 0.0239874 0.0239874), wk = 0.0026110 k( 154) = ( -0.0179906 0.0179906 0.0179906), wk = 0.0026110 k( 155) = ( -0.0119937 0.0119937 0.0119937), wk = 0.0026110 k( 156) = ( -0.0059968 0.0059968 0.0059968), wk = 0.0026110 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 159) = ( 0.0135135 0.0135135 -0.0135135), wk = 0.0026110 k( 160) = ( 0.0270270 0.0270270 -0.0270270), wk = 0.0026110 k( 161) = ( 0.0405405 0.0405405 -0.0405405), wk = 0.0026110 k( 162) = ( 0.0540540 0.0540540 -0.0540540), wk = 0.0026110 k( 163) = ( 0.0675676 0.0675676 -0.0675676), wk = 0.0026110 k( 164) = ( 0.0810811 0.0810811 -0.0810811), wk = 0.0026110 k( 165) = ( 0.0945946 0.0945946 -0.0945946), wk = 0.0026110 k( 166) = ( 0.1081081 0.1081081 -0.1081081), wk = 0.0026110 k( 167) = ( 0.1216216 0.1216216 -0.1216216), wk = 0.0026110 k( 168) = ( 0.1351351 0.1351351 -0.1351351), wk = 0.0026110 k( 169) = ( 0.1486486 0.1486486 -0.1486486), wk = 0.0026110 k( 170) = ( 0.1621622 0.1621622 -0.1621622), wk = 0.0026110 k( 171) = ( 0.1756757 0.1756757 -0.1756757), wk = 0.0026110 k( 172) = ( 0.1891892 0.1891892 -0.1891892), wk = 0.0026110 k( 173) = ( 0.2027027 0.2027027 -0.2027027), wk = 0.0026110 k( 174) = ( 0.2162162 0.2162162 -0.2162162), wk = 0.0026110 k( 175) = ( 0.2297297 0.2297297 -0.2297297), wk = 0.0026110 k( 176) = ( 0.2432432 0.2432432 -0.2432432), wk = 0.0026110 k( 177) = ( 0.2567568 0.2567568 -0.2567568), wk = 0.0026110 k( 178) = ( 0.2702703 0.2702703 -0.2702703), wk = 0.0026110 k( 179) = ( 0.2837838 0.2837838 -0.2837838), wk = 0.0026110 k( 180) = ( 0.2972973 0.2972973 -0.2972973), wk = 0.0026110 k( 181) = ( 0.3108108 0.3108108 -0.3108108), wk = 0.0026110 k( 182) = ( 0.3243243 0.3243243 -0.3243243), wk = 0.0026110 k( 183) = ( 0.3378378 0.3378378 -0.3378378), wk = 0.0026110 k( 184) = ( 0.3513514 0.3513514 -0.3513514), wk = 0.0026110 k( 185) = ( 0.3648649 0.3648649 -0.3648649), wk = 0.0026110 k( 186) = ( 0.3783784 0.3783784 -0.3783784), wk = 0.0026110 k( 187) = ( 0.3918919 0.3918919 -0.3918919), wk = 0.0026110 k( 188) = ( 0.4054054 0.4054054 -0.4054054), wk = 0.0026110 k( 189) = ( 0.4189189 0.4189189 -0.4189189), wk = 0.0026110 k( 190) = ( 0.4324324 0.4324324 -0.4324324), wk = 0.0026110 k( 191) = ( 0.4459459 0.4459459 -0.4459459), wk = 0.0026110 k( 192) = ( 0.4594595 0.4594595 -0.4594595), wk = 0.0026110 k( 193) = ( 0.4729730 0.4729730 -0.4729730), wk = 0.0026110 k( 194) = ( 0.4864865 0.4864865 -0.4864865), wk = 0.0026110 k( 195) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026110 k( 196) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026110 k( 197) = ( 0.4939346 0.5060654 -0.4939346), wk = 0.0026110 k( 198) = ( 0.4878692 0.5121307 -0.4878692), wk = 0.0026110 k( 199) = ( 0.4818039 0.5181961 -0.4818039), wk = 0.0026110 k( 200) = ( 0.4757385 0.5242615 -0.4757385), wk = 0.0026110 k( 201) = ( 0.4696731 0.5303269 -0.4696731), wk = 0.0026110 k( 202) = ( 0.4636078 0.5363922 -0.4636078), wk = 0.0026110 k( 203) = ( 0.4575424 0.5424576 -0.4575424), wk = 0.0026110 k( 204) = ( 0.4514770 0.5485230 -0.4514770), wk = 0.0026110 k( 205) = ( 0.4454116 0.5545884 -0.4454116), wk = 0.0026110 k( 206) = ( 0.4393463 0.5606537 -0.4393463), wk = 0.0026110 k( 207) = ( 0.4332809 0.5667191 -0.4332809), wk = 0.0026110 k( 208) = ( 0.4272155 0.5727845 -0.4272155), wk = 0.0026110 k( 209) = ( 0.4211502 0.5788498 -0.4211501), wk = 0.0026110 k( 210) = ( 0.4150848 0.5849152 -0.4150848), wk = 0.0026110 k( 211) = ( 0.4090194 0.5909806 -0.4090194), wk = 0.0026110 k( 212) = ( 0.4029540 0.5970460 -0.4029540), wk = 0.0026110 k( 213) = ( 0.3968887 0.6031114 -0.3968886), wk = 0.0026110 k( 214) = ( 0.3908233 0.6091767 -0.3908233), wk = 0.0026110 k( 215) = ( 0.3847579 0.6152421 -0.3847579), wk = 0.0026110 k( 216) = ( 0.3786925 0.6213075 -0.3786925), wk = 0.0026110 k( 217) = ( 0.3726272 0.6273728 -0.3726272), wk = 0.0026110 k( 218) = ( 0.3665618 0.6334382 -0.3665618), wk = 0.0026110 k( 219) = ( 0.3604964 0.6395036 -0.3604964), wk = 0.0026110 k( 220) = ( 0.3544310 0.6455690 -0.3544310), wk = 0.0026110 k( 221) = ( 0.3483657 0.6516343 -0.3483657), wk = 0.0026110 k( 222) = ( 0.3423003 0.6576997 -0.3423003), wk = 0.0026110 k( 223) = ( 0.3362349 0.6637651 -0.3362349), wk = 0.0026110 k( 224) = ( 0.3301695 0.6698305 -0.3301695), wk = 0.0026110 k( 225) = ( 0.3241042 0.6758958 -0.3241042), wk = 0.0026110 k( 226) = ( 0.3180388 0.6819612 -0.3180388), wk = 0.0026110 k( 227) = ( 0.3119734 0.6880266 -0.3119734), wk = 0.0026110 k( 228) = ( 0.3059080 0.6940920 -0.3059080), wk = 0.0026110 k( 229) = ( 0.2998427 0.7001573 -0.2998427), wk = 0.0026110 k( 230) = ( 0.2998427 0.7001573 -0.2998427), wk = 0.0026110 k( 231) = ( 0.2848505 0.6901495 -0.2848505), wk = 0.0026110 k( 232) = ( 0.2698584 0.6801416 -0.2698584), wk = 0.0026110 k( 233) = ( 0.2548663 0.6701337 -0.2548663), wk = 0.0026110 k( 234) = ( 0.2398741 0.6601259 -0.2398741), wk = 0.0026110 k( 235) = ( 0.2248820 0.6501180 -0.2248820), wk = 0.0026110 k( 236) = ( 0.2098899 0.6401101 -0.2098899), wk = 0.0026110 k( 237) = ( 0.1948977 0.6301023 -0.1948977), wk = 0.0026110 k( 238) = ( 0.1799056 0.6200944 -0.1799056), wk = 0.0026110 k( 239) = ( 0.1649135 0.6100865 -0.1649135), wk = 0.0026110 k( 240) = ( 0.1499213 0.6000787 -0.1499213), wk = 0.0026110 k( 241) = ( 0.1349292 0.5900708 -0.1349292), wk = 0.0026110 k( 242) = ( 0.1199371 0.5800629 -0.1199371), wk = 0.0026110 k( 243) = ( 0.1049449 0.5700551 -0.1049449), wk = 0.0026110 k( 244) = ( 0.0899528 0.5600472 -0.0899528), wk = 0.0026110 k( 245) = ( 0.0749607 0.5500393 -0.0749607), wk = 0.0026110 k( 246) = ( 0.0599685 0.5400315 -0.0599685), wk = 0.0026110 k( 247) = ( 0.0449764 0.5300236 -0.0449764), wk = 0.0026110 k( 248) = ( 0.0299843 0.5200157 -0.0299843), wk = 0.0026110 k( 249) = ( 0.0149921 0.5100079 -0.0149921), wk = 0.0026110 k( 250) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026110 k( 251) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026110 k( 252) = ( 0.0060976 0.4939024 0.0060976), wk = 0.0026110 k( 253) = ( 0.0121951 0.4878049 0.0121951), wk = 0.0026110 k( 254) = ( 0.0182927 0.4817073 0.0182927), wk = 0.0026110 k( 255) = ( 0.0243902 0.4756098 0.0243902), wk = 0.0026110 k( 256) = ( 0.0304878 0.4695122 0.0304878), wk = 0.0026110 k( 257) = ( 0.0365854 0.4634146 0.0365854), wk = 0.0026110 k( 258) = ( 0.0426829 0.4573171 0.0426829), wk = 0.0026110 k( 259) = ( 0.0487805 0.4512195 0.0487805), wk = 0.0026110 k( 260) = ( 0.0548780 0.4451219 0.0548780), wk = 0.0026110 k( 261) = ( 0.0609756 0.4390244 0.0609756), wk = 0.0026110 k( 262) = ( 0.0670732 0.4329268 0.0670732), wk = 0.0026110 k( 263) = ( 0.0731707 0.4268293 0.0731707), wk = 0.0026110 k( 264) = ( 0.0792683 0.4207317 0.0792683), wk = 0.0026110 k( 265) = ( 0.0853658 0.4146341 0.0853659), wk = 0.0026110 k( 266) = ( 0.0914634 0.4085366 0.0914634), wk = 0.0026110 k( 267) = ( 0.0975610 0.4024390 0.0975610), wk = 0.0026110 k( 268) = ( 0.1036585 0.3963415 0.1036585), wk = 0.0026110 k( 269) = ( 0.1097561 0.3902439 0.1097561), wk = 0.0026110 k( 270) = ( 0.1158537 0.3841463 0.1158537), wk = 0.0026110 k( 271) = ( 0.1219512 0.3780488 0.1219512), wk = 0.0026110 k( 272) = ( 0.1280488 0.3719512 0.1280488), wk = 0.0026110 k( 273) = ( 0.1341463 0.3658537 0.1341463), wk = 0.0026110 k( 274) = ( 0.1402439 0.3597561 0.1402439), wk = 0.0026110 k( 275) = ( 0.1463415 0.3536585 0.1463415), wk = 0.0026110 k( 276) = ( 0.1524390 0.3475610 0.1524390), wk = 0.0026110 k( 277) = ( 0.1585366 0.3414634 0.1585366), wk = 0.0026110 k( 278) = ( 0.1646342 0.3353659 0.1646341), wk = 0.0026110 k( 279) = ( 0.1707317 0.3292683 0.1707317), wk = 0.0026110 k( 280) = ( 0.1768293 0.3231707 0.1768293), wk = 0.0026110 k( 281) = ( 0.1829268 0.3170732 0.1829268), wk = 0.0026110 k( 282) = ( 0.1890244 0.3109756 0.1890244), wk = 0.0026110 k( 283) = ( 0.1951219 0.3048781 0.1951220), wk = 0.0026110 k( 284) = ( 0.2012195 0.2987805 0.2012195), wk = 0.0026110 k( 285) = ( 0.2073171 0.2926829 0.2073171), wk = 0.0026110 k( 286) = ( 0.2134146 0.2865854 0.2134146), wk = 0.0026110 k( 287) = ( 0.2195122 0.2804878 0.2195122), wk = 0.0026110 k( 288) = ( 0.2256098 0.2743902 0.2256098), wk = 0.0026110 k( 289) = ( 0.2317073 0.2682927 0.2317073), wk = 0.0026110 k( 290) = ( 0.2378049 0.2621951 0.2378049), wk = 0.0026110 k( 291) = ( 0.2439024 0.2560976 0.2439024), wk = 0.0026110 k( 292) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026110 k( 293) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026110 k( 294) = ( 0.2613636 0.2613636 0.2341052), wk = 0.0026110 k( 295) = ( 0.2727273 0.2727273 0.2182104), wk = 0.0026110 k( 296) = ( 0.2840909 0.2840909 0.2023156), wk = 0.0026110 k( 297) = ( 0.2954545 0.2954545 0.1864209), wk = 0.0026110 k( 298) = ( 0.3068182 0.3068182 0.1705261), wk = 0.0026110 k( 299) = ( 0.3181818 0.3181818 0.1546313), wk = 0.0026110 k( 300) = ( 0.3295455 0.3295455 0.1387365), wk = 0.0026110 k( 301) = ( 0.3409091 0.3409091 0.1228417), wk = 0.0026110 k( 302) = ( 0.3522727 0.3522727 0.1069469), wk = 0.0026110 k( 303) = ( 0.3636364 0.3636364 0.0910521), wk = 0.0026110 k( 304) = ( 0.3750000 0.3750000 0.0751573), wk = 0.0026110 k( 305) = ( 0.3863636 0.3863636 0.0592625), wk = 0.0026110 k( 306) = ( 0.3977273 0.3977273 0.0433678), wk = 0.0026110 k( 307) = ( 0.4090909 0.4090909 0.0274730), wk = 0.0026110 k( 308) = ( 0.4204545 0.4204545 0.0115782), wk = 0.0026110 k( 309) = ( 0.4318182 0.4318182 -0.0043166), wk = 0.0026110 k( 310) = ( 0.4431818 0.4431818 -0.0202114), wk = 0.0026110 k( 311) = ( 0.4545455 0.4545454 -0.0361062), wk = 0.0026110 k( 312) = ( 0.4659091 0.4659091 -0.0520010), wk = 0.0026110 k( 313) = ( 0.4772727 0.4772727 -0.0678958), wk = 0.0026110 k( 314) = ( 0.4886364 0.4886364 -0.0837906), wk = 0.0026110 k( 315) = ( 0.5000000 0.5000000 -0.0996853), wk = 0.0026110 k( 316) = ( 0.5000000 0.5000000 -0.0996853), wk = 0.0026110 k( 317) = ( 0.5000000 0.5000000 -0.1082027), wk = 0.0026110 k( 318) = ( 0.5000000 0.5000000 -0.1167200), wk = 0.0026110 k( 319) = ( 0.5000000 0.5000000 -0.1252373), wk = 0.0026110 k( 320) = ( 0.5000000 0.5000000 -0.1337547), wk = 0.0026110 k( 321) = ( 0.5000000 0.5000000 -0.1422720), wk = 0.0026110 k( 322) = ( 0.5000000 0.5000000 -0.1507893), wk = 0.0026110 k( 323) = ( 0.5000000 0.5000000 -0.1593067), wk = 0.0026110 k( 324) = ( 0.5000000 0.5000000 -0.1678240), wk = 0.0026110 k( 325) = ( 0.5000000 0.5000000 -0.1763413), wk = 0.0026110 k( 326) = ( 0.5000000 0.5000000 -0.1848587), wk = 0.0026110 k( 327) = ( 0.5000000 0.5000000 -0.1933760), wk = 0.0026110 k( 328) = ( 0.5000000 0.5000000 -0.2018933), wk = 0.0026110 k( 329) = ( 0.5000000 0.5000000 -0.2104107), wk = 0.0026110 k( 330) = ( 0.5000000 0.5000000 -0.2189280), wk = 0.0026110 k( 331) = ( 0.5000000 0.5000000 -0.2274453), wk = 0.0026110 k( 332) = ( 0.5000000 0.5000000 -0.2359627), wk = 0.0026110 k( 333) = ( 0.5000000 0.5000000 -0.2444800), wk = 0.0026110 k( 334) = ( 0.5000000 0.5000000 -0.2529973), wk = 0.0026110 k( 335) = ( 0.5000000 0.5000000 -0.2615147), wk = 0.0026110 k( 336) = ( 0.5000000 0.5000000 -0.2700320), wk = 0.0026110 k( 337) = ( 0.5000000 0.5000000 -0.2785493), wk = 0.0026110 k( 338) = ( 0.5000000 0.5000000 -0.2870667), wk = 0.0026110 k( 339) = ( 0.5000000 0.5000000 -0.2955840), wk = 0.0026110 k( 340) = ( 0.5000000 0.5000000 -0.3041013), wk = 0.0026110 k( 341) = ( 0.5000000 0.5000000 -0.3126187), wk = 0.0026110 k( 342) = ( 0.5000000 0.5000000 -0.3211360), wk = 0.0026110 k( 343) = ( 0.5000000 0.5000000 -0.3296533), wk = 0.0026110 k( 344) = ( 0.5000000 0.5000000 -0.3381707), wk = 0.0026110 k( 345) = ( 0.5000000 0.5000000 -0.3466880), wk = 0.0026110 k( 346) = ( 0.5000000 0.5000000 -0.3552053), wk = 0.0026110 k( 347) = ( 0.5000000 0.5000000 -0.3637227), wk = 0.0026110 k( 348) = ( 0.5000000 0.5000000 -0.3722400), wk = 0.0026110 k( 349) = ( 0.5000000 0.5000000 -0.3807573), wk = 0.0026110 k( 350) = ( 0.5000000 0.5000000 -0.3892747), wk = 0.0026110 k( 351) = ( 0.5000000 0.5000000 -0.3977920), wk = 0.0026110 k( 352) = ( 0.5000000 0.5000000 -0.4063093), wk = 0.0026110 k( 353) = ( 0.5000000 0.5000000 -0.4148267), wk = 0.0026110 k( 354) = ( 0.5000000 0.5000000 -0.4233440), wk = 0.0026110 k( 355) = ( 0.5000000 0.5000000 -0.4318613), wk = 0.0026110 k( 356) = ( 0.5000000 0.5000000 -0.4403787), wk = 0.0026110 k( 357) = ( 0.5000000 0.5000000 -0.4488960), wk = 0.0026110 k( 358) = ( 0.5000000 0.5000000 -0.4574133), wk = 0.0026110 k( 359) = ( 0.5000000 0.5000000 -0.4659307), wk = 0.0026110 k( 360) = ( 0.5000000 0.5000000 -0.4744480), wk = 0.0026110 k( 361) = ( 0.5000000 0.5000000 -0.4829653), wk = 0.0026110 k( 362) = ( 0.5000000 0.5000000 -0.4914827), wk = 0.0026110 k( 363) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026110 k( 364) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026110 k( 365) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0026110 k( 366) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0026110 k( 367) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0026110 k( 368) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0026110 k( 369) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0026110 k( 370) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0026110 k( 371) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0026110 k( 372) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0026110 k( 373) = ( 0.1184210 0.1184210 0.3815790), wk = 0.0026110 k( 374) = ( 0.1315790 0.1315790 0.3684211), wk = 0.0026110 k( 375) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0026110 k( 376) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0026110 k( 377) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0026110 k( 378) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0026110 k( 379) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0026110 k( 380) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0026110 k( 381) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0026110 k( 382) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0026110 k( 383) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026110 Dense grid: 31555 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 19199 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 146, 30) NL pseudopotentials 0.15 Mb ( 73, 136) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 877) G-vector shells 0.00 Mb ( 420) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 146, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.12 Mb ( 136, 2, 30) The potential is recalculated from file : ./NbAl3.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.1 secs Computing kpt #: 11 total cpu time spent up to now is 5.3 secs Computing kpt #: 12 total cpu time spent up to now is 5.6 secs Computing kpt #: 13 total cpu time spent up to now is 5.8 secs Computing kpt #: 14 total cpu time spent up to now is 6.1 secs Computing kpt #: 15 total cpu time spent up to now is 6.3 secs Computing kpt #: 16 total cpu time spent up to now is 6.6 secs Computing kpt #: 17 total cpu time spent up to now is 6.9 secs Computing kpt #: 18 total cpu time spent up to now is 7.1 secs Computing kpt #: 19 total cpu time spent up to now is 7.4 secs Computing kpt #: 20 total cpu time spent up to now is 7.6 secs Computing kpt #: 21 total cpu time spent up to now is 7.8 secs Computing kpt #: 22 total cpu time spent up to now is 8.1 secs Computing kpt #: 23 total cpu time spent up to now is 8.3 secs Computing kpt #: 24 total cpu time spent up to now is 8.6 secs Computing kpt #: 25 total cpu time spent up to now is 8.8 secs Computing kpt #: 26 total cpu time spent up to now is 9.1 secs Computing kpt #: 27 total cpu time spent up to now is 9.4 secs Computing kpt #: 28 total cpu time spent up to now is 9.6 secs Computing kpt #: 29 total cpu time spent up to now is 9.9 secs Computing kpt #: 30 total cpu time spent up to now is 10.1 secs Computing kpt #: 31 total cpu time spent up to now is 10.4 secs Computing kpt #: 32 total cpu time spent up to now is 10.6 secs Computing kpt #: 33 total cpu time spent up to now is 10.9 secs Computing kpt #: 34 total cpu time spent up to now is 11.1 secs Computing kpt #: 35 total cpu time spent up to now is 11.4 secs Computing kpt #: 36 total cpu time spent up to now is 11.6 secs Computing kpt #: 37 total cpu time spent up to now is 11.9 secs Computing kpt #: 38 total cpu time spent up to now is 12.1 secs Computing kpt #: 39 total cpu time spent up to now is 12.4 secs Computing kpt #: 40 total cpu time spent up to now is 12.6 secs Computing kpt #: 41 total cpu time spent up to now is 12.9 secs Computing kpt #: 42 total cpu time spent up to now is 13.1 secs Computing kpt #: 43 total cpu time spent up to now is 13.4 secs Computing kpt #: 44 total cpu time spent up to now is 13.6 secs Computing kpt #: 45 total cpu time spent up to now is 13.9 secs Computing kpt #: 46 total cpu time spent up to now is 14.1 secs Computing kpt #: 47 total cpu time spent up to now is 14.4 secs Computing kpt #: 48 total cpu time spent up to now is 14.7 secs Computing kpt #: 49 total cpu time spent up to now is 14.9 secs Computing kpt #: 50 total cpu time spent up to now is 15.2 secs Computing kpt #: 51 total cpu time spent up to now is 15.4 secs Computing kpt #: 52 total cpu time spent up to now is 15.7 secs Computing kpt #: 53 total cpu time spent up to now is 16.0 secs Computing kpt #: 54 total cpu time spent up to now is 16.2 secs Computing kpt #: 55 total cpu time spent up to now is 16.5 secs Computing kpt #: 56 total cpu time spent up to now is 16.7 secs Computing kpt #: 57 total cpu time spent up to now is 17.0 secs Computing kpt #: 58 total cpu time spent up to now is 17.3 secs Computing kpt #: 59 total cpu time spent up to now is 17.5 secs Computing kpt #: 60 total cpu time spent up to now is 17.8 secs Computing kpt #: 61 total cpu time spent up to now is 18.0 secs Computing kpt #: 62 total cpu time spent up to now is 18.3 secs Computing kpt #: 63 total cpu time spent up to now is 18.5 secs Computing kpt #: 64 total cpu time spent up to now is 18.8 secs Computing kpt #: 65 total cpu time spent up to now is 19.0 secs Computing kpt #: 66 total cpu time spent up to now is 19.3 secs Computing kpt #: 67 total cpu time spent up to now is 19.5 secs Computing kpt #: 68 total cpu time spent up to now is 19.8 secs Computing kpt #: 69 total cpu time spent up to now is 20.0 secs Computing kpt #: 70 total cpu time spent up to now is 20.3 secs Computing kpt #: 71 total cpu time spent up to now is 20.5 secs Computing kpt #: 72 total cpu time spent up to now is 20.8 secs Computing kpt #: 73 total cpu time spent up to now is 21.0 secs Computing kpt #: 74 total cpu time spent up to now is 21.3 secs Computing kpt #: 75 total cpu time spent up to now is 21.5 secs Computing kpt #: 76 total cpu time spent up to now is 21.8 secs Computing kpt #: 77 total cpu time spent up to now is 22.0 secs Computing kpt #: 78 total cpu time spent up to now is 22.3 secs Computing kpt #: 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total cpu time spent up to now is 29.8 secs Computing kpt #: 111 total cpu time spent up to now is 30.1 secs Computing kpt #: 112 total cpu time spent up to now is 30.3 secs Computing kpt #: 113 total cpu time spent up to now is 30.5 secs Computing kpt #: 114 total cpu time spent up to now is 30.8 secs Computing kpt #: 115 total cpu time spent up to now is 31.0 secs Computing kpt #: 116 total cpu time spent up to now is 31.3 secs Computing kpt #: 117 total cpu time spent up to now is 31.5 secs Computing kpt #: 118 total cpu time spent up to now is 31.7 secs Computing kpt #: 119 total cpu time spent up to now is 32.0 secs Computing kpt #: 120 total cpu time spent up to now is 32.2 secs Computing kpt #: 121 total cpu time spent up to now is 32.5 secs Computing kpt #: 122 total cpu time spent up to now is 32.7 secs Computing kpt #: 123 total cpu time spent up to now is 33.0 secs Computing kpt #: 124 total cpu time spent up to now is 33.2 secs Computing kpt #: 125 total cpu time spent up 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Computing kpt #: 141 total cpu time spent up to now is 37.5 secs Computing kpt #: 142 total cpu time spent up to now is 37.8 secs Computing kpt #: 143 total cpu time spent up to now is 38.0 secs Computing kpt #: 144 total cpu time spent up to now is 38.2 secs Computing kpt #: 145 total cpu time spent up to now is 38.5 secs Computing kpt #: 146 total cpu time spent up to now is 38.7 secs Computing kpt #: 147 total cpu time spent up to now is 38.9 secs Computing kpt #: 148 total cpu time spent up to now is 39.2 secs Computing kpt #: 149 total cpu time spent up to now is 39.4 secs Computing kpt #: 150 total cpu time spent up to now is 39.6 secs Computing kpt #: 151 total cpu time spent up to now is 39.9 secs Computing kpt #: 152 total cpu time spent up to now is 40.1 secs Computing kpt #: 153 total cpu time spent up to now is 40.3 secs Computing kpt #: 154 total cpu time spent up to now is 40.6 secs Computing kpt #: 155 total cpu time spent up to now is 40.8 secs Computing kpt #: 156 total cpu time spent up to now is 41.0 secs Computing kpt #: 157 total cpu time spent up to now is 41.3 secs Computing kpt #: 158 total cpu time spent up to now is 41.6 secs Computing kpt #: 159 total cpu time spent up to now is 41.9 secs Computing kpt #: 160 total cpu time spent up to now is 42.1 secs Computing kpt #: 161 total cpu time spent up to now is 42.4 secs Computing kpt #: 162 total cpu time spent up to now is 42.6 secs Computing kpt #: 163 total cpu time spent up to now is 42.8 secs Computing kpt #: 164 total cpu time spent up to now is 43.1 secs Computing kpt #: 165 total cpu time spent up to now is 43.3 secs Computing kpt #: 166 total cpu time spent up to now is 43.5 secs Computing kpt #: 167 total cpu time spent up to now is 43.8 secs Computing kpt #: 168 total cpu time spent up to now is 44.0 secs Computing kpt #: 169 total cpu time spent up to now is 44.2 secs Computing kpt #: 170 total cpu time spent up to now is 44.4 secs Computing kpt #: 171 total cpu time spent up 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Computing kpt #: 187 total cpu time spent up to now is 48.2 secs Computing kpt #: 188 total cpu time spent up to now is 48.5 secs Computing kpt #: 189 total cpu time spent up to now is 48.7 secs Computing kpt #: 190 total cpu time spent up to now is 48.9 secs Computing kpt #: 191 total cpu time spent up to now is 49.1 secs Computing kpt #: 192 total cpu time spent up to now is 49.4 secs Computing kpt #: 193 total cpu time spent up to now is 49.6 secs Computing kpt #: 194 total cpu time spent up to now is 49.8 secs Computing kpt #: 195 total cpu time spent up to now is 50.0 secs Computing kpt #: 196 total cpu time spent up to now is 50.3 secs Computing kpt #: 197 total cpu time spent up to now is 50.5 secs Computing kpt #: 198 total cpu time spent up to now is 50.8 secs Computing kpt #: 199 total cpu time spent up to now is 51.0 secs Computing kpt #: 200 total cpu time spent up to now is 51.3 secs Computing kpt #: 201 total cpu time spent up to now is 51.5 secs Computing kpt #: 202 total cpu time spent up to now is 51.8 secs Computing kpt #: 203 total cpu time spent up to now is 52.0 secs Computing kpt #: 204 total cpu time spent up to now is 52.3 secs Computing kpt #: 205 total cpu time spent up to now is 52.5 secs Computing kpt #: 206 total cpu time spent up to now is 52.8 secs Computing kpt #: 207 total cpu time spent up to now is 53.0 secs Computing kpt #: 208 total cpu time spent up to now is 53.2 secs Computing kpt #: 209 total cpu time spent up to now is 53.5 secs Computing kpt #: 210 total cpu time spent up to now is 53.8 secs Computing kpt #: 211 total cpu time spent up to now is 54.1 secs Computing kpt #: 212 total cpu time spent up to now is 54.5 secs Computing kpt #: 213 total cpu time spent up to now is 54.8 secs Computing kpt #: 214 total cpu time spent up to now is 55.1 secs Computing kpt #: 215 total cpu time spent up to now is 55.3 secs Computing kpt #: 216 total cpu time spent up to now is 55.6 secs Computing kpt #: 217 total cpu time spent up 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Computing kpt #: 233 total cpu time spent up to now is 59.5 secs Computing kpt #: 234 total cpu time spent up to now is 59.8 secs Computing kpt #: 235 total cpu time spent up to now is 60.0 secs Computing kpt #: 236 total cpu time spent up to now is 60.2 secs Computing kpt #: 237 total cpu time spent up to now is 60.5 secs Computing kpt #: 238 total cpu time spent up to now is 60.7 secs Computing kpt #: 239 total cpu time spent up to now is 61.0 secs Computing kpt #: 240 total cpu time spent up to now is 61.2 secs Computing kpt #: 241 total cpu time spent up to now is 61.5 secs Computing kpt #: 242 total cpu time spent up to now is 61.7 secs Computing kpt #: 243 total cpu time spent up to now is 62.0 secs Computing kpt #: 244 total cpu time spent up to now is 62.2 secs Computing kpt #: 245 total cpu time spent up to now is 62.5 secs Computing kpt #: 246 total cpu time spent up to now is 62.7 secs Computing kpt #: 247 total cpu time spent up to now is 63.0 secs Computing kpt #: 248 total cpu time spent up to now is 63.2 secs Computing kpt #: 249 total cpu time spent up to now is 63.4 secs Computing kpt #: 250 total cpu time spent up to now is 63.7 secs Computing kpt #: 251 total cpu time spent up to now is 63.9 secs Computing kpt #: 252 total cpu time spent up to now is 64.2 secs Computing kpt #: 253 total cpu time spent up to now is 64.4 secs Computing kpt #: 254 total cpu time spent up to now is 64.6 secs Computing kpt #: 255 total cpu time spent up to now is 64.9 secs Computing kpt #: 256 total cpu time spent up to now is 65.1 secs Computing kpt #: 257 total cpu time spent up to now is 65.4 secs Computing kpt #: 258 total cpu time spent up to now is 65.6 secs Computing kpt #: 259 total cpu time spent up to now is 65.9 secs Computing kpt #: 260 total cpu time spent up to now is 66.2 secs Computing kpt #: 261 total cpu time spent up to now is 66.5 secs Computing kpt #: 262 total cpu time spent up to now is 66.9 secs Computing kpt #: 263 total cpu time spent up to now is 67.2 secs Computing kpt #: 264 total cpu time spent up to now is 67.5 secs Computing kpt #: 265 total cpu time spent up to now is 67.8 secs Computing kpt #: 266 total cpu time spent up to now is 68.1 secs Computing kpt #: 267 total cpu time spent up to now is 68.3 secs Computing kpt #: 268 total cpu time spent up to now is 68.5 secs Computing kpt #: 269 total cpu time spent up to now is 68.7 secs Computing kpt #: 270 total cpu time spent up to now is 69.0 secs Computing kpt #: 271 total cpu time spent up to now is 69.2 secs Computing kpt #: 272 total cpu time spent up to now is 69.4 secs Computing kpt #: 273 total cpu time spent up to now is 69.6 secs Computing kpt #: 274 total cpu time spent up to now is 69.9 secs Computing kpt #: 275 total cpu time spent up to now is 70.1 secs Computing kpt #: 276 total cpu time spent up to now is 70.3 secs Computing kpt #: 277 total cpu time spent up to now is 70.5 secs Computing kpt #: 278 total cpu time spent up to now is 70.8 secs Computing kpt #: 279 total cpu time spent up to now is 71.0 secs Computing kpt #: 280 total cpu time spent up to now is 71.2 secs Computing kpt #: 281 total cpu time spent up to now is 71.4 secs Computing kpt #: 282 total cpu time spent up to now is 72.9 secs Computing kpt #: 283 total cpu time spent up to now is 73.2 secs Computing kpt #: 284 total cpu time spent up to now is 73.4 secs Computing kpt #: 285 total cpu time spent up to now is 73.6 secs Computing kpt #: 286 total cpu time spent up to now is 73.9 secs Computing kpt #: 287 total cpu time spent up to now is 74.1 secs Computing kpt #: 288 total cpu time spent up to now is 74.3 secs Computing kpt #: 289 total cpu time spent up to now is 74.6 secs Computing kpt #: 290 total cpu time spent up to now is 74.8 secs Computing kpt #: 291 total cpu time spent up to now is 75.1 secs Computing kpt #: 292 total cpu time spent up to now is 75.4 secs Computing kpt #: 293 total cpu time spent up to now is 75.6 secs Computing kpt #: 294 total cpu time spent up to now is 75.9 secs Computing kpt #: 295 total cpu time spent up to now is 76.2 secs Computing kpt #: 296 total cpu time spent up to now is 76.4 secs Computing kpt #: 297 total cpu time spent up to now is 76.7 secs Computing kpt #: 298 total cpu time spent up to now is 76.9 secs Computing kpt #: 299 total cpu time spent up to now is 77.2 secs Computing kpt #: 300 total cpu time spent up to now is 77.5 secs Computing kpt #: 301 total cpu time spent up to now is 77.7 secs Computing kpt #: 302 total cpu time spent up to now is 78.0 secs Computing kpt #: 303 total cpu time spent up to now is 78.2 secs Computing kpt #: 304 total cpu time spent up to now is 78.5 secs Computing kpt #: 305 total cpu time spent up to now is 78.7 secs Computing kpt #: 306 total cpu time spent up to now is 79.0 secs Computing kpt #: 307 total cpu time spent up to now is 79.2 secs Computing kpt #: 308 total cpu time spent up to now is 79.5 secs Computing kpt #: 309 total cpu time spent up to now is 79.7 secs Computing kpt #: 310 total cpu time spent up to now is 80.0 secs Computing kpt #: 311 total cpu time spent up to now is 80.2 secs Computing kpt #: 312 total cpu time spent up to now is 80.5 secs Computing kpt #: 313 total cpu time spent up to now is 80.7 secs Computing kpt #: 314 total cpu time spent up to now is 81.0 secs Computing kpt #: 315 total cpu time spent up to now is 81.2 secs Computing kpt #: 316 total cpu time spent up to now is 81.5 secs Computing kpt #: 317 total cpu time spent up to now is 81.7 secs Computing kpt #: 318 total cpu time spent up to now is 82.0 secs Computing kpt #: 319 total cpu time spent up to now is 82.2 secs Computing kpt #: 320 total cpu time spent up to now is 82.4 secs Computing kpt #: 321 total cpu time spent up to now is 82.7 secs Computing kpt #: 322 total cpu time spent up to now is 82.9 secs Computing kpt #: 323 total cpu time spent up to now is 83.1 secs Computing kpt #: 324 total cpu time spent up to now is 83.4 secs Computing kpt #: 325 total cpu time spent up to now is 83.6 secs Computing kpt #: 326 total cpu time spent up to now is 83.8 secs Computing kpt #: 327 total cpu time spent up to now is 84.0 secs Computing kpt #: 328 total cpu time spent up to now is 84.3 secs Computing kpt #: 329 total cpu time spent up to now is 84.5 secs Computing kpt #: 330 total cpu time spent up to now is 84.7 secs Computing kpt #: 331 total cpu time spent up to now is 85.0 secs Computing kpt #: 332 total cpu time spent up to now is 85.2 secs Computing kpt #: 333 total cpu time spent up to now is 85.4 secs Computing kpt #: 334 total cpu time spent up to now is 85.6 secs Computing kpt #: 335 total cpu time spent up to now is 85.9 secs Computing kpt #: 336 total cpu time spent up to now is 86.1 secs Computing kpt #: 337 total cpu time spent up to now is 86.3 secs Computing kpt #: 338 total cpu time spent up to now is 86.5 secs Computing kpt #: 339 total cpu time spent up to now is 86.8 secs Computing kpt #: 340 total cpu time spent up to now is 87.0 secs Computing kpt #: 341 total cpu time spent up to now is 87.3 secs Computing kpt #: 342 total cpu time spent up to now is 87.5 secs Computing kpt #: 343 total cpu time spent up to now is 87.8 secs Computing kpt #: 344 total cpu time spent up to now is 88.1 secs Computing kpt #: 345 total cpu time spent up to now is 88.4 secs Computing kpt #: 346 total cpu time spent up to now is 88.6 secs Computing kpt #: 347 total cpu time spent up to now is 88.9 secs Computing kpt #: 348 total cpu time spent up to now is 89.2 secs Computing kpt #: 349 total cpu time spent up to now is 89.5 secs Computing kpt #: 350 total cpu time spent up to now is 89.8 secs Computing kpt #: 351 total cpu time spent up to now is 90.1 secs Computing kpt #: 352 total cpu time spent up to now is 90.3 secs Computing kpt #: 353 total cpu time spent up to now is 90.5 secs Computing kpt #: 354 total cpu time spent up to now is 90.8 secs Computing kpt #: 355 total cpu time spent up to now is 91.0 secs Computing kpt #: 356 total cpu time spent up to now is 91.2 secs Computing kpt #: 357 total cpu time spent up to now is 91.5 secs Computing kpt #: 358 total cpu time spent up to now is 91.7 secs Computing kpt #: 359 total cpu time spent up to now is 91.9 secs Computing kpt #: 360 total cpu time spent up to now is 92.2 secs Computing kpt #: 361 total cpu time spent up to now is 92.5 secs Computing kpt #: 362 total cpu time spent up to now is 92.7 secs Computing kpt #: 363 total cpu time spent up to now is 92.9 secs Computing kpt #: 364 total cpu time spent up to now is 93.2 secs Computing kpt #: 365 total cpu time spent up to now is 93.4 secs Computing kpt #: 366 total cpu time spent up to now is 93.7 secs Computing kpt #: 367 total cpu time spent up to now is 93.9 secs Computing kpt #: 368 total cpu time spent up to now is 94.2 secs Computing kpt #: 369 total cpu time spent up to now is 94.4 secs Computing kpt #: 370 total cpu time spent up to now is 94.7 secs Computing kpt #: 371 total cpu time spent up to now is 94.9 secs Computing kpt #: 372 total cpu time spent up to now is 95.2 secs Computing kpt #: 373 total cpu time spent up to now is 95.4 secs Computing kpt #: 374 total cpu time spent up to now is 95.7 secs Computing kpt #: 375 total cpu time spent up to now is 95.9 secs Computing kpt #: 376 total cpu time spent up to now is 96.2 secs Computing kpt #: 377 total cpu time spent up to now is 96.5 secs Computing kpt #: 378 total cpu time spent up to now is 96.7 secs Computing kpt #: 379 total cpu time spent up to now is 96.9 secs Computing kpt #: 380 total cpu time spent up to now is 97.2 secs Computing kpt #: 381 total cpu time spent up to now is 97.4 secs Computing kpt #: 382 total cpu time spent up to now is 97.7 secs Computing kpt #: 383 total cpu time spent up to now is 98.0 secs ethr = 4.55E-08, avg # of iterations = 16.2 total cpu time spent up to now is 98.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2397 PWs) bands (ev): -43.1959 -43.1959 -20.7923 -20.7923 -18.7482 -18.7482 -18.6441 -18.6441 0.9144 0.9144 7.5048 7.5048 8.4861 8.4861 8.6480 8.6480 9.2162 9.2162 9.2284 9.2284 11.3570 11.3570 12.8410 12.8410 12.9620 12.9620 13.1439 13.1439 13.5616 13.5616 k = 0.0000 0.0000 0.0161 ( 2397 PWs) bands (ev): -43.1959 -43.1959 -20.7923 -20.7923 -18.7483 -18.7483 -18.6441 -18.6441 0.9161 0.9161 7.5063 7.5063 8.4802 8.4802 8.6476 8.6476 9.2156 9.2156 9.2304 9.2304 11.3483 11.3483 12.8439 12.8439 12.9642 12.9642 13.1505 13.1505 13.5572 13.5572 k = 0.0000 0.0000 0.0323 ( 2395 PWs) bands (ev): -43.1958 -43.1958 -20.7924 -20.7924 -18.7484 -18.7484 -18.6441 -18.6441 0.9210 0.9210 7.5107 7.5107 8.4632 8.4632 8.6464 8.6464 9.2026 9.2026 9.2471 9.2471 11.3226 11.3226 12.8523 12.8523 12.9705 12.9705 13.1702 13.1702 13.5441 13.5441 k = 0.0000 0.0000 0.0484 ( 2395 PWs) bands (ev): -43.1958 -43.1958 -20.7925 -20.7925 -18.7487 -18.7487 -18.6442 -18.6442 0.9292 0.9292 7.5182 7.5182 8.4366 8.4366 8.6443 8.6443 9.1783 9.1783 9.2762 9.2762 11.2809 11.2809 12.8657 12.8657 12.9809 12.9809 13.2027 13.2027 13.5229 13.5229 k = 0.0000 0.0000 0.0646 ( 2399 PWs) bands (ev): -43.1958 -43.1958 -20.7927 -20.7927 -18.7490 -18.7490 -18.6442 -18.6442 0.9406 0.9406 7.5286 7.5286 8.4025 8.4025 8.6415 8.6415 9.1444 9.1444 9.3140 9.3140 11.2245 11.2245 12.8832 12.8832 12.9952 12.9952 13.2472 13.2472 13.4947 13.4947 k = 0.0000 0.0000 0.0807 ( 2403 PWs) bands (ev): -43.1958 -43.1958 -20.7929 -20.7929 -18.7495 -18.7495 -18.6443 -18.6443 0.9553 0.9553 7.5419 7.5419 8.3630 8.3630 8.6379 8.6379 9.1021 9.1021 9.3583 9.3583 11.1552 11.1552 12.9041 12.9041 13.0128 13.0128 13.3030 13.3030 13.4606 13.4606 k = 0.0000 0.0000 0.0969 ( 2415 PWs) bands (ev): -43.1960 -43.1960 -20.7932 -20.7932 -18.7501 -18.7501 -18.6444 -18.6444 0.9733 0.9733 7.5581 7.5581 8.3196 8.3196 8.6337 8.6337 9.0520 9.0520 9.4073 9.4073 11.0745 11.0745 12.9276 12.9276 13.0334 13.0334 13.3689 13.3689 13.4221 13.4221 k = 0.0000 0.0000 0.1130 ( 2423 PWs) bands (ev): -43.1960 -43.1960 -20.7935 -20.7935 -18.7507 -18.7507 -18.6446 -18.6446 0.9945 0.9945 7.5772 7.5772 8.2738 8.2738 8.6288 8.6288 8.9950 8.9950 9.4593 9.4593 10.9843 10.9843 12.9531 12.9531 13.0563 13.0563 13.3796 13.3796 13.4446 13.4446 k = 0.0000 0.0000 0.1292 ( 2419 PWs) bands (ev): -43.1959 -43.1959 -20.7939 -20.7939 -18.7514 -18.7514 -18.6447 -18.6447 1.0189 1.0189 7.5991 7.5991 8.2265 8.2265 8.6234 8.6234 8.9321 8.9321 9.5133 9.5133 10.8859 10.8859 12.9803 12.9803 13.0809 13.0809 13.3358 13.3358 13.5276 13.5276 k = 0.0000 0.0000 0.1453 ( 2421 PWs) bands (ev): -43.1959 -43.1959 -20.7943 -20.7943 -18.7522 -18.7522 -18.6449 -18.6449 1.0465 1.0465 7.6237 7.6237 8.1784 8.1784 8.6174 8.6174 8.8640 8.8640 9.5681 9.5681 10.7809 10.7809 13.0086 13.0086 13.1068 13.1068 13.2913 13.2913 13.6174 13.6174 k = 0.0000 0.0000 0.1615 ( 2429 PWs) bands (ev): -43.1959 -43.1959 -20.7948 -20.7948 -18.7532 -18.7532 -18.6450 -18.6450 1.0773 1.0773 7.6511 7.6511 8.1302 8.1302 8.6111 8.6111 8.7917 8.7917 9.6231 9.6231 10.6703 10.6703 13.0372 13.0372 13.1334 13.1334 13.2479 13.2479 13.7126 13.7126 k = 0.0000 0.0000 0.1776 ( 2421 PWs) bands (ev): -43.1957 -43.1957 -20.7952 -20.7952 -18.7541 -18.7541 -18.6452 -18.6452 1.1113 1.1113 7.6810 7.6810 8.0822 8.0822 8.6043 8.6043 8.7158 8.7158 9.6773 9.6773 10.5554 10.5554 13.0642 13.0642 13.1604 13.1604 13.2083 13.2083 13.8119 13.8119 k = 0.0000 0.0000 0.1938 ( 2417 PWs) bands (ev): -43.1956 -43.1956 -20.7957 -20.7957 -18.7552 -18.7552 -18.6454 -18.6454 1.1484 1.1484 7.7133 7.7133 8.0349 8.0349 8.5964 8.5964 8.6379 8.6379 9.7302 9.7302 10.4371 10.4371 13.0831 13.0831 13.1794 13.1794 13.1874 13.1874 13.9137 13.9137 k = 0.0000 0.0000 0.2099 ( 2417 PWs) bands (ev): -43.1955 -43.1955 -20.7963 -20.7963 -18.7563 -18.7563 -18.6456 -18.6456 1.1887 1.1887 7.7480 7.7480 7.9883 7.9883 8.5533 8.5533 8.5928 8.5928 9.7811 9.7811 10.3162 10.3162 13.0791 13.0791 13.1767 13.1767 13.2142 13.2142 14.0167 14.0167 k = 0.0000 0.0000 0.2260 ( 2417 PWs) bands (ev): -43.1954 -43.1954 -20.7969 -20.7969 -18.7575 -18.7575 -18.6459 -18.6459 1.2320 1.2320 7.7849 7.7849 7.9429 7.9429 8.4715 8.4715 8.5846 8.5846 9.8295 9.8295 10.1936 10.1936 13.0549 13.0549 13.1979 13.1979 13.2407 13.2407 14.1193 14.1193 k = 0.0000 0.0000 0.2422 ( 2421 PWs) bands (ev): -43.1953 -43.1953 -20.7975 -20.7975 -18.7588 -18.7588 -18.6461 -18.6461 1.2784 1.2784 7.8237 7.8237 7.8987 7.8987 8.3875 8.3875 8.5774 8.5774 9.8748 9.8748 10.0700 10.0700 13.0263 13.0263 13.2273 13.2273 13.2666 13.2666 14.2200 14.2200 k = 0.0000 0.0000 0.2583 ( 2417 PWs) bands (ev): -43.1951 -43.1951 -20.7982 -20.7982 -18.7602 -18.7602 -18.6464 -18.6464 1.3279 1.3279 7.8532 7.8532 7.8669 7.8669 8.3026 8.3026 8.5704 8.5704 9.9162 9.9162 9.9464 9.9464 12.9995 12.9995 13.2589 13.2589 13.2919 13.2919 14.3171 14.3171 k = 0.0000 0.0000 0.2745 ( 2413 PWs) bands (ev): -43.1950 -43.1950 -20.7989 -20.7989 -18.7616 -18.7616 -18.6466 -18.6466 1.3803 1.3803 7.8136 7.8136 7.9069 7.9069 8.2173 8.2173 8.5636 8.5636 9.8224 9.8224 9.9541 9.9541 12.9767 12.9767 13.2905 13.2905 13.3165 13.3165 14.4093 14.4093 k = 0.0000 0.0000 0.2906 ( 2417 PWs) bands (ev): -43.1949 -43.1949 -20.7996 -20.7996 -18.7630 -18.7630 -18.6469 -18.6469 1.4357 1.4357 7.7737 7.7737 7.9496 7.9496 8.1322 8.1322 8.5571 8.5571 9.7000 9.7000 9.9871 9.9871 12.9587 12.9587 13.3204 13.3204 13.3408 13.3408 14.4952 14.4952 k = 0.0000 0.0000 0.3068 ( 2417 PWs) bands (ev): -43.1948 -43.1948 -20.8003 -20.8003 -18.7645 -18.7645 -18.6472 -18.6472 1.4941 1.4941 7.7353 7.7353 7.9906 7.9906 8.0496 8.0496 8.5509 8.5509 9.5795 9.5795 10.0152 10.0152 12.9462 12.9462 13.3468 13.3468 13.3658 13.3658 14.5739 14.5739 k = 0.0000 0.0000 0.3229 ( 2417 PWs) bands (ev): -43.1946 -43.1946 -20.8011 -20.8011 -18.7661 -18.7661 -18.6475 -18.6475 1.5553 1.5553 7.6986 7.6986 7.9581 7.9581 8.0408 8.0408 8.5451 8.5451 9.4617 9.4617 10.0382 10.0382 12.9395 12.9395 13.3681 13.3681 13.3918 13.3918 14.6445 14.6445 k = 0.0000 0.0000 0.3391 ( 2417 PWs) bands (ev): -43.1945 -43.1945 -20.8019 -20.8019 -18.7676 -18.7676 -18.6478 -18.6478 1.6194 1.6194 7.6635 7.6635 7.8755 7.8755 8.0815 8.0815 8.5398 8.5398 9.3480 9.3480 10.0559 10.0559 12.9388 12.9388 13.3847 13.3847 13.4175 13.4175 14.7069 14.7069 k = 0.0000 0.0000 0.3552 ( 2421 PWs) bands (ev): -43.1944 -43.1944 -20.8027 -20.8027 -18.7693 -18.7693 -18.6481 -18.6481 1.6863 1.6863 7.6301 7.6301 7.7926 7.7926 8.1207 8.1207 8.5349 8.5349 9.2398 9.2398 10.0681 10.0681 12.9441 12.9441 13.3968 13.3968 13.4415 13.4415 14.7610 14.7610 k = 0.0000 0.0000 0.3714 ( 2431 PWs) bands (ev): -43.1944 -43.1944 -20.8035 -20.8035 -18.7709 -18.7709 -18.6484 -18.6484 1.7559 1.7559 7.5985 7.5985 7.7106 7.7106 8.1553 8.1553 8.5305 8.5305 9.1394 9.1394 10.0749 10.0749 12.9553 12.9553 13.4035 13.4035 13.4631 13.4631 14.8065 14.8065 k = 0.0000 0.0000 0.3875 ( 2431 PWs) bands (ev): -43.1943 -43.1943 -20.8043 -20.8043 -18.7726 -18.7726 -18.6487 -18.6487 1.8282 1.8282 7.5685 7.5685 7.6298 7.6298 8.1819 8.1819 8.5266 8.5266 9.0499 9.0499 10.0763 10.0763 12.9723 12.9723 13.4037 13.4037 13.4817 13.4817 14.8403 14.8403 k = 0.0000 0.0000 0.4037 ( 2425 PWs) bands (ev): -43.1940 -43.1940 -20.8052 -20.8052 -18.7743 -18.7743 -18.6490 -18.6490 1.9032 1.9032 7.5397 7.5397 7.5510 7.5510 8.1961 8.1961 8.5233 8.5233 8.9755 8.9755 10.0727 10.0727 12.9946 12.9946 13.3957 13.3957 13.4971 13.4971 14.8196 14.8196 k = 0.0000 0.0000 0.4198 ( 2421 PWs) bands (ev): -43.1938 -43.1938 -20.8060 -20.8060 -18.7760 -18.7760 -18.6493 -18.6493 1.9807 1.9807 7.4720 7.4720 7.5144 7.5144 8.1932 8.1932 8.5206 8.5206 8.9210 8.9210 10.0642 10.0642 13.0219 13.0219 13.3773 13.3773 13.5091 13.5091 14.7195 14.7195 k = 0.0000 0.0000 0.4359 ( 2417 PWs) bands (ev): -43.1936 -43.1936 -20.8068 -20.8068 -18.7777 -18.7777 -18.6496 -18.6496 2.0608 2.0608 7.3958 7.3958 7.4897 7.4897 8.1693 8.1693 8.5185 8.5185 8.8898 8.8898 10.0512 10.0512 13.0537 13.0537 13.3465 13.3465 13.5176 13.5176 14.6173 14.6173 k = 0.0000 0.0000 0.4521 ( 2417 PWs) bands (ev): -43.1935 -43.1935 -20.8077 -20.8077 -18.7794 -18.7794 -18.6499 -18.6499 2.1433 2.1433 7.3213 7.3213 7.4668 7.4668 8.1245 8.1245 8.5172 8.5172 8.8815 8.8815 10.0341 10.0341 13.0893 13.0893 13.3014 13.3014 13.5224 13.5224 14.5266 14.5266 k = 0.0000 0.0000 0.4682 ( 2413 PWs) bands (ev): -43.1933 -43.1933 -20.8085 -20.8085 -18.7811 -18.7811 -18.6502 -18.6502 2.2282 2.2282 7.2486 7.2486 7.4457 7.4457 8.0623 8.0623 8.5166 8.5166 8.8922 8.8922 10.0133 10.0133 13.1278 13.1278 13.2417 13.2417 13.5237 13.5237 14.4513 14.4513 k = 0.0000 0.0000 0.4844 ( 2409 PWs) bands (ev): -43.1931 -43.1931 -20.8094 -20.8094 -18.7827 -18.7827 -18.6505 -18.6505 2.3154 2.3154 7.1778 7.1778 7.4263 7.4263 7.9878 7.9878 8.5167 8.5167 8.9164 8.9164 9.9892 9.9892 13.1552 13.1552 13.1814 13.1814 13.5215 13.5215 14.3925 14.3925 k = 0.0000 0.0000 0.5005 ( 2405 PWs) bands (ev): -43.1929 -43.1929 -20.8102 -20.8102 -18.7844 -18.7844 -18.6508 -18.6508 2.4048 2.4048 7.1090 7.1090 7.4085 7.4085 7.9056 7.9056 8.5175 8.5175 8.9489 8.9489 9.9623 9.9623 13.0773 13.0773 13.2165 13.2165 13.5159 13.5159 14.3493 14.3493 k = 0.0000 0.0000 0.5167 ( 2409 PWs) bands (ev): -43.1928 -43.1928 -20.8110 -20.8110 -18.7861 -18.7861 -18.6511 -18.6511 2.4963 2.4963 7.0422 7.0422 7.3924 7.3924 7.8189 7.8189 8.5190 8.5190 8.9859 8.9859 9.9329 9.9329 12.9823 12.9823 13.2615 13.2615 13.5072 13.5072 14.3197 14.3197 k = 0.0000 0.0000 0.5328 ( 2409 PWs) bands (ev): -43.1927 -43.1927 -20.8119 -20.8119 -18.7877 -18.7877 -18.6514 -18.6514 2.5898 2.5898 6.9776 6.9776 7.3779 7.3779 7.7301 7.7301 8.5211 8.5211 9.0243 9.0243 9.9016 9.9016 12.8820 12.8820 13.3080 13.3080 13.4954 13.4954 14.3009 14.3009 k = 0.0000 0.0000 0.5490 ( 2413 PWs) bands (ev): -43.1926 -43.1926 -20.8127 -20.8127 -18.7893 -18.7893 -18.6517 -18.6517 2.6853 2.6853 6.9153 6.9153 7.3650 7.3650 7.6405 7.6405 8.5237 8.5237 9.0618 9.0618 9.8685 9.8685 12.7805 12.7805 13.3549 13.3549 13.4810 13.4810 14.2906 14.2906 k = 0.0000 0.0000 0.5651 ( 2417 PWs) bands (ev): -43.1925 -43.1925 -20.8135 -20.8135 -18.7909 -18.7909 -18.6520 -18.6520 2.7825 2.7825 6.8551 6.8551 7.3536 7.3536 7.5511 7.5511 8.5269 8.5269 9.0963 9.0963 9.8342 9.8342 12.6812 12.6812 13.4014 13.4014 13.4645 13.4645 14.2865 14.2865 k = 0.0000 0.0000 0.5813 ( 2421 PWs) bands (ev): -43.1924 -43.1924 -20.8142 -20.8142 -18.7924 -18.7924 -18.6523 -18.6523 2.8814 2.8814 6.7972 6.7972 7.3436 7.3436 7.4627 7.4627 8.5306 8.5306 9.1263 9.1263 9.7990 9.7990 12.5872 12.5872 13.4379 13.4379 13.4552 13.4552 14.2868 14.2868 k = 0.0000 0.0000 0.5974 ( 2417 PWs) bands (ev): -43.1922 -43.1922 -20.8150 -20.8150 -18.7939 -18.7939 -18.6526 -18.6526 2.9819 2.9819 6.7417 6.7417 7.3349 7.3349 7.3758 7.3758 8.5348 8.5348 9.1501 9.1501 9.7631 9.7631 12.5011 12.5011 13.4220 13.4220 13.4957 13.4957 14.2902 14.2902 k = 0.0000 0.0000 0.6135 ( 2417 PWs) bands (ev): -43.1921 -43.1921 -20.8157 -20.8157 -18.7954 -18.7954 -18.6528 -18.6528 3.0837 3.0837 6.6885 6.6885 7.2898 7.2898 7.3282 7.3282 8.5394 8.5394 9.1665 9.1665 9.7268 9.7268 12.4251 12.4251 13.3997 13.3997 13.5396 13.5396 14.2958 14.2958 k = 0.0000 0.0000 0.6297 ( 2414 PWs) bands (ev): -43.1919 -43.1919 -20.8164 -20.8164 -18.7968 -18.7968 -18.6531 -18.6531 3.1867 3.1867 6.6378 6.6378 7.2064 7.2064 7.3221 7.3221 8.5444 8.5444 9.1742 9.1742 9.6905 9.6905 12.3610 12.3610 13.3758 13.3758 13.5822 13.5822 14.3026 14.3026 k = 0.0000 0.0000 0.6458 ( 2414 PWs) bands (ev): -43.1918 -43.1918 -20.8171 -20.8171 -18.7982 -18.7982 -18.6533 -18.6533 3.2907 3.2907 6.5895 6.5895 7.1248 7.1248 7.3172 7.3172 8.5497 8.5497 9.1724 9.1724 9.6544 9.6544 12.3102 12.3102 13.3509 13.3509 13.6229 13.6229 14.3101 14.3101 k = 0.0000 0.0000 0.6620 ( 2414 PWs) bands (ev): -43.1917 -43.1917 -20.8177 -20.8177 -18.7995 -18.7995 -18.6535 -18.6535 3.3954 3.3954 6.5436 6.5436 7.0452 7.0452 7.3135 7.3135 8.5552 8.5552 9.1608 9.1608 9.6187 9.6187 12.2737 12.2737 13.3254 13.3254 13.6614 13.6614 14.3179 14.3179 k = 0.0000 0.0000 0.6781 ( 2410 PWs) bands (ev): -43.1915 -43.1915 -20.8184 -20.8184 -18.8007 -18.8007 -18.6537 -18.6537 3.5007 3.5007 6.5003 6.5003 6.9677 6.9677 7.3108 7.3108 8.5610 8.5610 9.1393 9.1393 9.5837 9.5837 12.2519 12.2519 13.2995 13.2995 13.6976 13.6976 14.3257 14.3257 k = 0.0000 0.0000 0.6943 ( 2406 PWs) bands (ev): -43.1914 -43.1914 -20.8190 -20.8190 -18.8019 -18.8019 -18.6539 -18.6539 3.6063 3.6063 6.4594 6.4594 6.8923 6.8923 7.3090 7.3090 8.5668 8.5668 9.1084 9.1084 9.5496 9.5496 12.2446 12.2446 13.2736 13.2736 13.7313 13.7313 14.3331 14.3331 k = 0.0000 0.0000 0.7104 ( 2408 PWs) bands (ev): -43.1913 -43.1913 -20.8195 -20.8195 -18.8030 -18.8030 -18.6541 -18.6541 3.7118 3.7118 6.4212 6.4212 6.8189 6.8189 7.3081 7.3081 8.5728 8.5728 9.0689 9.0689 9.5165 9.5165 12.2514 12.2514 13.2479 13.2479 13.7624 13.7624 14.3400 14.3400 k = 0.0000 0.0000 0.7266 ( 2408 PWs) bands (ev): -43.1912 -43.1912 -20.8201 -20.8201 -18.8041 -18.8041 -18.6543 -18.6543 3.8168 3.8168 6.3854 6.3854 6.7476 6.7476 7.3078 7.3078 8.5787 8.5787 9.0221 9.0221 9.4848 9.4848 12.2711 12.2711 13.2227 13.2227 13.7908 13.7908 14.3463 14.3463 k = 0.0000 0.0000 0.7427 ( 2408 PWs) bands (ev): -43.1911 -43.1911 -20.8205 -20.8205 -18.8050 -18.8050 -18.6545 -18.6545 3.9209 3.9209 6.3523 6.3523 6.6783 6.6783 7.3082 7.3082 8.5844 8.5844 8.9695 8.9695 9.4545 9.4545 12.3025 12.3025 13.1983 13.1983 13.8166 13.8166 14.3521 14.3521 k = 0.0000 0.0000 0.7589 ( 2408 PWs) bands (ev): -43.1910 -43.1910 -20.8210 -20.8210 -18.8059 -18.8059 -18.6546 -18.6546 4.0235 4.0235 6.3217 6.3217 6.6109 6.6109 7.3091 7.3091 8.5900 8.5900 8.9128 8.9128 9.4259 9.4259 12.3440 12.3440 13.1750 13.1750 13.8397 13.8397 14.3571 14.3571 k = 0.0000 0.0000 0.7750 ( 2412 PWs) bands (ev): -43.1910 -43.1910 -20.8214 -20.8214 -18.8068 -18.8068 -18.6548 -18.6548 4.1242 4.1242 6.2938 6.2938 6.5457 6.5457 7.3104 7.3104 8.5953 8.5953 8.8539 8.8539 9.3990 9.3990 12.3940 12.3940 13.1529 13.1529 13.8603 13.8603 14.3614 14.3614 k = 0.0000 0.0000 0.7912 ( 2412 PWs) bands (ev): -43.1909 -43.1909 -20.8218 -20.8218 -18.8076 -18.8076 -18.6549 -18.6549 4.2220 4.2220 6.2684 6.2684 6.4826 6.4826 7.3119 7.3119 8.6002 8.6002 8.7946 8.7946 9.3742 9.3742 12.4505 12.4505 13.1323 13.1323 13.8783 13.8783 14.3651 14.3651 k = 0.0000 0.0000 0.8073 ( 2414 PWs) bands (ev): -43.1909 -43.1909 -20.8222 -20.8222 -18.8083 -18.8083 -18.6550 -18.6550 4.3163 4.3163 6.2457 6.2457 6.4219 6.4219 7.3137 7.3137 8.6044 8.6044 8.7367 8.7367 9.3516 9.3516 12.5118 12.5118 13.1132 13.1132 13.8939 13.8939 14.3681 14.3681 k = 0.0000 0.0000 0.8234 ( 2416 PWs) bands (ev): -43.1909 -43.1909 -20.8225 -20.8225 -18.8089 -18.8089 -18.6551 -18.6551 4.4058 4.4058 6.2257 6.2257 6.3641 6.3641 7.3155 7.3155 8.6072 8.6072 8.6826 8.6826 9.3312 9.3312 12.5758 12.5758 13.0961 13.0961 13.9072 13.9072 14.3705 14.3705 k = 0.0000 0.0000 0.8396 ( 2420 PWs) bands (ev): -43.1909 -43.1909 -20.8228 -20.8228 -18.8094 -18.8094 -18.6552 -18.6552 4.4892 4.4892 6.2083 6.2083 6.3098 6.3098 7.3173 7.3173 8.6034 8.6034 8.6388 8.6388 9.3133 9.3133 12.6402 12.6402 13.0809 13.0809 13.9181 13.9181 14.3716 14.3716 k = 0.0000 0.0000 0.8557 ( 2420 PWs) bands (ev): -43.1908 -43.1908 -20.8230 -20.8230 -18.8099 -18.8099 -18.6553 -18.6553 4.5651 4.5651 6.1936 6.1936 6.2598 6.2598 7.3190 7.3190 8.5747 8.5747 8.6249 8.6249 9.2979 9.2979 12.7027 12.7027 13.0678 13.0678 13.9269 13.9269 14.3573 14.3573 k = 0.0000 0.0000 0.8719 ( 2422 PWs) bands (ev): -43.1908 -43.1908 -20.8232 -20.8232 -18.8102 -18.8102 -18.6553 -18.6553 4.6316 4.6316 6.1815 6.1815 6.2155 6.2155 7.3205 7.3205 8.5384 8.5384 8.6248 8.6248 9.2851 9.2851 12.7604 12.7604 13.0569 13.0569 13.9336 13.9336 14.3078 14.3078 k = 0.0000 0.0000 0.8880 ( 2422 PWs) bands (ev): -43.1908 -43.1908 -20.8233 -20.8233 -18.8105 -18.8105 -18.6554 -18.6554 4.6867 4.6867 6.1719 6.1719 6.1784 6.1784 7.3218 7.3218 8.5077 8.5077 8.6262 8.6262 9.2751 9.2751 12.8103 12.8103 13.0483 13.0483 13.9382 13.9382 14.2627 14.2627 k = 0.0000 0.0000 0.9042 ( 2424 PWs) bands (ev): -43.1908 -43.1908 -20.8234 -20.8234 -18.8107 -18.8107 -18.6554 -18.6554 4.7281 4.7281 6.1497 6.1497 6.1656 6.1656 7.3227 7.3227 8.4849 8.4849 8.6275 8.6275 9.2679 9.2679 12.8492 12.8492 13.0422 13.0422 13.9411 13.9411 14.2276 14.2276 k = 0.0000 0.0000 0.9203 ( 2428 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.7539 4.7539 6.1319 6.1319 6.1615 6.1615 7.3233 7.3233 8.4709 8.4709 8.6283 8.6283 9.2636 9.2636 12.8741 12.8741 13.0385 13.0385 13.9426 13.9426 14.2054 14.2054 k = 0.0000 0.0000 0.9365 ( 2416 PWs) bands (ev): -43.1907 -43.1907 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.7627 4.7627 6.1258 6.1258 6.1601 6.1601 7.3235 7.3235 8.4662 8.4662 8.6286 8.6286 9.2622 9.2622 12.8827 12.8827 13.0373 13.0373 13.9430 13.9430 14.1977 14.1977 k = 0.0000 0.0000 0.9365 ( 2416 PWs) bands (ev): -43.1907 -43.1907 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.7627 4.7627 6.1258 6.1258 6.1601 6.1601 7.3235 7.3235 8.4662 8.4662 8.6286 8.6286 9.2622 9.2622 12.8827 12.8827 13.0373 13.0373 13.9430 13.9430 14.1977 14.1977 k =-0.0083 0.0132 0.9365 ( 2420 PWs) bands (ev): -43.1907 -43.1907 -20.8235 -20.8235 -18.8109 -18.8109 -18.6554 -18.6554 4.7636 4.7636 6.1262 6.1262 6.1467 6.1467 7.3393 7.3393 8.4387 8.4387 8.6529 8.6529 9.2631 9.2631 12.8855 12.8855 13.0323 13.0323 13.9361 13.9361 14.2033 14.2033 k =-0.0166 0.0263 0.9365 ( 2424 PWs) bands (ev): -43.1908 -43.1908 -20.8235 -20.8235 -18.8107 -18.8107 -18.6554 -18.6554 4.7664 4.7664 6.1053 6.1053 6.1305 6.1305 7.3848 7.3848 8.3795 8.3795 8.7025 8.7025 9.2659 9.2659 12.8936 12.8936 13.0179 13.0179 13.9159 13.9159 14.2202 14.2202 k =-0.0249 0.0395 0.9365 ( 2432 PWs) bands (ev): -43.1909 -43.1909 -20.8234 -20.8234 -18.8106 -18.8106 -18.6554 -18.6554 4.7709 4.7709 6.0457 6.0457 6.1340 6.1340 7.4547 7.4547 8.3086 8.3086 8.7577 8.7577 9.2706 9.2706 12.9064 12.9064 12.9949 12.9949 13.8838 13.8838 14.2479 14.2479 k =-0.0332 0.0526 0.9365 ( 2434 PWs) bands (ev): -43.1910 -43.1910 -20.8232 -20.8232 -18.8103 -18.8103 -18.6554 -18.6554 4.7772 4.7772 5.9706 5.9706 6.1396 6.1396 7.5435 7.5435 8.2319 8.2319 8.8131 8.8131 9.2773 9.2773 12.9230 12.9230 12.9650 12.9650 13.8420 13.8420 14.2856 14.2856 k =-0.0415 0.0658 0.9365 ( 2430 PWs) bands (ev): -43.1910 -43.1910 -20.8231 -20.8231 -18.8100 -18.8100 -18.6554 -18.6554 4.7851 4.7851 5.8852 5.8852 6.1468 6.1468 7.6464 7.6464 8.1513 8.1513 8.8672 8.8672 9.2858 9.2858 12.9254 12.9254 12.9460 12.9460 13.7930 13.7930 14.3320 14.3320 k =-0.0498 0.0789 0.9365 ( 2422 PWs) bands (ev): -43.1909 -43.1909 -20.8229 -20.8229 -18.8095 -18.8095 -18.6554 -18.6554 4.7945 4.7945 5.7932 5.7932 6.1557 6.1557 7.7596 7.7596 8.0681 8.0681 8.9196 8.9196 9.2961 9.2961 12.8857 12.8857 12.9661 12.9661 13.7391 13.7391 14.3857 14.3857 k =-0.0581 0.0921 0.9365 ( 2422 PWs) bands (ev): -43.1909 -43.1909 -20.8226 -20.8226 -18.8090 -18.8090 -18.6554 -18.6554 4.8053 4.8053 5.6969 5.6969 6.1662 6.1662 7.8799 7.8799 7.9837 7.9837 8.9702 8.9702 9.3084 9.3084 12.8411 12.8411 12.9881 12.9881 13.6822 13.6822 14.4457 14.4457 k =-0.0665 0.1052 0.9365 ( 2424 PWs) bands (ev): -43.1910 -43.1910 -20.8224 -20.8224 -18.8085 -18.8085 -18.6553 -18.6553 4.8173 4.8173 5.5983 5.5983 6.1784 6.1784 7.8942 7.8942 8.0099 8.0099 9.0194 9.0194 9.3224 9.3224 12.7936 12.7936 13.0092 13.0092 13.6237 13.6237 14.5111 14.5111 k =-0.0748 0.1184 0.9365 ( 2424 PWs) bands (ev): -43.1911 -43.1911 -20.8221 -20.8221 -18.8078 -18.8078 -18.6553 -18.6553 4.8301 4.8301 5.4984 5.4984 6.1921 6.1921 7.8077 7.8077 8.1413 8.1413 9.0672 9.0672 9.3384 9.3384 12.7442 12.7442 13.0285 13.0285 13.5647 13.5647 14.5813 14.5813 k =-0.0831 0.1316 0.9365 ( 2422 PWs) bands (ev): -43.1911 -43.1911 -20.8217 -20.8217 -18.8071 -18.8071 -18.6553 -18.6553 4.8437 4.8437 5.3981 5.3981 6.2074 6.2074 7.7205 7.7205 8.2771 8.2771 9.1140 9.1140 9.3561 9.3561 12.6934 12.6934 13.0448 13.0448 13.5061 13.5061 14.6559 14.6559 k =-0.0914 0.1447 0.9365 ( 2420 PWs) bands (ev): -43.1911 -43.1911 -20.8214 -20.8214 -18.8064 -18.8064 -18.6552 -18.6552 4.8575 4.8575 5.2980 5.2980 6.2243 6.2243 7.6340 7.6340 8.4162 8.4162 9.1600 9.1600 9.3757 9.3757 12.6419 12.6419 13.0576 13.0576 13.4487 13.4487 14.7340 14.7340 k =-0.0997 0.1579 0.9365 ( 2420 PWs) bands (ev): -43.1912 -43.1912 -20.8210 -20.8210 -18.8055 -18.8055 -18.6552 -18.6552 4.8713 4.8713 5.1986 5.1986 6.2428 6.2428 7.5490 7.5490 8.5578 8.5578 9.2054 9.2054 9.3971 9.3971 12.5898 12.5898 13.0664 13.0664 13.3930 13.3930 14.8149 14.8149 k =-0.0997 0.1579 0.9365 ( 2420 PWs) bands (ev): -43.1912 -43.1912 -20.8210 -20.8210 -18.8055 -18.8055 -18.6552 -18.6552 4.8713 4.8713 5.1986 5.1986 6.2428 6.2428 7.5490 7.5490 8.5578 8.5578 9.2054 9.2054 9.3971 9.3971 12.5898 12.5898 13.0664 13.0664 13.3930 13.3930 14.8149 14.8149 k =-0.1058 0.1675 0.9251 ( 2420 PWs) bands (ev): -43.1913 -43.1913 -20.8206 -20.8206 -18.8048 -18.8048 -18.6552 -18.6552 4.8776 4.8776 5.1272 5.1272 6.2575 6.2575 7.4920 7.4920 8.6622 8.6622 9.2384 9.2384 9.4147 9.4147 12.5521 12.5521 13.0689 13.0689 13.3538 13.3538 14.8729 14.8729 k =-0.1118 0.1771 0.9137 ( 2422 PWs) bands (ev): -43.1914 -43.1914 -20.8203 -20.8203 -18.8041 -18.8041 -18.6551 -18.6551 4.8772 4.8772 5.0576 5.0576 6.2717 6.2717 7.4454 7.4454 8.7667 8.7667 9.2712 9.2712 9.4351 9.4351 12.5155 12.5155 13.0671 13.0671 13.3163 13.3163 14.9266 14.9266 k =-0.1179 0.1867 0.9024 ( 2418 PWs) bands (ev): -43.1914 -43.1914 -20.8199 -20.8199 -18.8033 -18.8033 -18.6550 -18.6550 4.8707 4.8707 4.9899 4.9899 6.2825 6.2825 7.4113 7.4113 8.8706 8.8706 9.3038 9.3038 9.4589 9.4589 12.4806 12.4806 13.0618 13.0618 13.2808 13.2808 14.9760 14.9760 k =-0.1239 0.1963 0.8910 ( 2414 PWs) bands (ev): -43.1914 -43.1914 -20.8195 -20.8195 -18.8025 -18.8025 -18.6550 -18.6550 4.8587 4.8587 4.9246 4.9246 6.2868 6.2868 7.3921 7.3921 8.9729 8.9729 9.3359 9.3359 9.4865 9.4865 12.4479 12.4479 13.0535 13.0535 13.2478 13.2478 15.0213 15.0213 k =-0.1300 0.2059 0.8797 ( 2416 PWs) bands (ev): -43.1915 -43.1915 -20.8191 -20.8191 -18.8016 -18.8016 -18.6549 -18.6549 4.8387 4.8387 4.8651 4.8651 6.2825 6.2825 7.3892 7.3892 9.0724 9.0724 9.3675 9.3675 9.5189 9.5189 12.4178 12.4178 13.0429 13.0429 13.2174 13.2174 15.0626 15.0626 k =-0.1361 0.2155 0.8683 ( 2416 PWs) bands (ev): -43.1916 -43.1916 -20.8186 -20.8186 -18.8007 -18.8007 -18.6548 -18.6548 4.7918 4.7918 4.8312 4.8312 6.2683 6.2683 7.4033 7.4033 9.1671 9.1671 9.3982 9.3982 9.5576 9.5576 12.3909 12.3909 13.0303 13.0303 13.1901 13.1901 15.0996 15.0996 k =-0.1421 0.2251 0.8569 ( 2408 PWs) bands (ev): -43.1916 -43.1916 -20.8181 -20.8181 -18.7997 -18.7997 -18.6546 -18.6546 4.7333 4.7333 4.8083 4.8083 6.2441 6.2441 7.4335 7.4335 9.2547 9.2547 9.4280 9.4280 9.6045 9.6045 12.3675 12.3675 13.0161 13.0161 13.1661 13.1661 15.1320 15.1320 k =-0.1482 0.2347 0.8456 ( 2415 PWs) bands (ev): -43.1918 -43.1918 -20.8177 -20.8177 -18.7987 -18.7987 -18.6545 -18.6545 4.6755 4.6755 4.7848 4.7848 6.2111 6.2111 7.4784 7.4784 9.3326 9.3326 9.4567 9.4567 9.6619 9.6619 12.3480 12.3480 13.0008 13.0008 13.1458 13.1458 15.1591 15.1591 k =-0.1543 0.2443 0.8342 ( 2419 PWs) bands (ev): -43.1919 -43.1919 -20.8172 -20.8172 -18.7978 -18.7978 -18.6544 -18.6544 4.6195 4.6195 4.7602 4.7602 6.1709 6.1709 7.5358 7.5358 9.3992 9.3992 9.4843 9.4843 9.7305 9.7305 12.3326 12.3326 12.9845 12.9845 13.1295 13.1295 15.1803 15.1803 k =-0.1603 0.2539 0.8229 ( 2415 PWs) bands (ev): -43.1919 -43.1919 -20.8167 -20.8167 -18.7967 -18.7967 -18.6542 -18.6542 4.5654 4.5654 4.7347 4.7347 6.1252 6.1252 7.6033 7.6033 9.4549 9.4549 9.5108 9.5108 9.8092 9.8092 12.3217 12.3217 12.9674 12.9674 13.1177 13.1177 15.1950 15.1950 k =-0.1664 0.2635 0.8115 ( 2415 PWs) bands (ev): -43.1920 -43.1920 -20.8162 -20.8162 -18.7957 -18.7957 -18.6540 -18.6540 4.5134 4.5134 4.7088 4.7088 6.0758 6.0758 7.6789 7.6789 9.5015 9.5015 9.5366 9.5366 9.8953 9.8953 12.3155 12.3155 12.9499 12.9499 13.1107 13.1107 15.2023 15.2023 k =-0.1725 0.2731 0.8001 ( 2411 PWs) bands (ev): -43.1921 -43.1921 -20.8156 -20.8156 -18.7947 -18.7947 -18.6538 -18.6538 4.4635 4.4635 4.6827 4.6827 6.0241 6.0241 7.7609 7.7609 9.5392 9.5392 9.5636 9.5636 9.9856 9.9856 12.3142 12.3142 12.9320 12.9320 13.1089 13.1089 15.2018 15.2018 k =-0.1785 0.2827 0.7888 ( 2407 PWs) bands (ev): -43.1921 -43.1921 -20.8151 -20.8151 -18.7937 -18.7937 -18.6536 -18.6536 4.4158 4.4158 4.6567 4.6567 5.9712 5.9712 7.8476 7.8476 9.5671 9.5671 9.5948 9.5948 10.0776 10.0776 12.3178 12.3178 12.9140 12.9140 13.1127 13.1127 15.1929 15.1929 k =-0.1846 0.2923 0.7774 ( 2413 PWs) bands (ev): -43.1923 -43.1923 -20.8146 -20.8146 -18.7927 -18.7927 -18.6534 -18.6534 4.3703 4.3703 4.6309 4.6309 5.9181 5.9181 7.9379 7.9379 9.5881 9.5881 9.6283 9.6283 10.1695 10.1695 12.3263 12.3263 12.8960 12.8960 13.1225 13.1225 15.1750 15.1750 k =-0.1907 0.3019 0.7661 ( 2411 PWs) bands (ev): -43.1924 -43.1924 -20.8141 -20.8141 -18.7917 -18.7917 -18.6532 -18.6532 4.3270 4.3270 4.6057 4.6057 5.8654 5.8654 8.0306 8.0306 9.6055 9.6055 9.6615 9.6615 10.2597 10.2597 12.3396 12.3396 12.8783 12.8783 13.1387 13.1387 15.1482 15.1482 k =-0.1967 0.3116 0.7547 ( 2405 PWs) bands (ev): -43.1924 -43.1924 -20.8136 -20.8136 -18.7908 -18.7908 -18.6529 -18.6529 4.2859 4.2859 4.5811 4.5811 5.8138 5.8138 8.1249 8.1249 9.6202 9.6202 9.6938 9.6938 10.3471 10.3471 12.3574 12.3574 12.8613 12.8613 13.1616 13.1616 15.1123 15.1123 k =-0.2028 0.3212 0.7433 ( 2405 PWs) bands (ev): -43.1925 -43.1925 -20.8131 -20.8131 -18.7898 -18.7898 -18.6527 -18.6527 4.2471 4.2471 4.5573 4.5573 5.7637 5.7637 8.2199 8.2199 9.6327 9.6327 9.7251 9.7251 10.4311 10.4311 12.3792 12.3792 12.8455 12.8455 13.1915 13.1915 15.0675 15.0675 k =-0.2089 0.3308 0.7320 ( 2406 PWs) bands (ev): -43.1926 -43.1926 -20.8126 -20.8126 -18.7890 -18.7890 -18.6525 -18.6525 4.2106 4.2106 4.5344 4.5344 5.7155 5.7155 8.3148 8.3148 9.6430 9.6430 9.7553 9.7553 10.5107 10.5107 12.4042 12.4042 12.8316 12.8316 13.2286 13.2286 15.0143 15.0143 k =-0.2149 0.3404 0.7206 ( 2410 PWs) bands (ev): -43.1927 -43.1927 -20.8122 -20.8122 -18.7881 -18.7881 -18.6522 -18.6522 4.1764 4.1764 4.5126 4.5126 5.6694 5.6694 8.4090 8.4090 9.6513 9.6513 9.7843 9.7843 10.5855 10.5855 12.4313 12.4313 12.8206 12.8206 13.2730 13.2730 14.9533 14.9533 k =-0.2210 0.3500 0.7093 ( 2408 PWs) bands (ev): -43.1928 -43.1928 -20.8117 -20.8117 -18.7873 -18.7873 -18.6520 -18.6520 4.1444 4.1444 4.4920 4.4920 5.6258 5.6258 8.5018 8.5018 9.6577 9.6577 9.8122 9.8122 10.6551 10.6551 12.4588 12.4588 12.8141 12.8141 13.3247 13.3247 14.8853 14.8853 k =-0.2271 0.3596 0.6979 ( 2409 PWs) bands (ev): -43.1929 -43.1929 -20.8113 -20.8113 -18.7865 -18.7865 -18.6517 -18.6517 4.1148 4.1148 4.4725 4.4725 5.5848 5.5848 8.5925 8.5925 9.6623 9.6623 9.8386 9.8386 10.7192 10.7192 12.4842 12.4842 12.8144 12.8144 13.3836 13.3836 14.8111 14.8111 k =-0.2331 0.3692 0.6865 ( 2411 PWs) bands (ev): -43.1930 -43.1930 -20.8109 -20.8109 -18.7858 -18.7858 -18.6515 -18.6515 4.0876 4.0876 4.4544 4.4544 5.5466 5.5466 8.6804 8.6804 9.6653 9.6653 9.8637 9.8637 10.7776 10.7776 12.5050 12.5050 12.8239 12.8239 13.4492 13.4492 14.7319 14.7319 k =-0.2392 0.3788 0.6752 ( 2413 PWs) bands (ev): -43.1931 -43.1931 -20.8106 -20.8106 -18.7852 -18.7852 -18.6512 -18.6512 4.0626 4.0626 4.4376 4.4376 5.5114 5.5114 8.7648 8.7648 9.6668 9.6668 9.8870 9.8870 10.8302 10.8302 12.5188 12.5188 12.8448 12.8448 13.5211 13.5211 14.6488 14.6488 k =-0.2453 0.3884 0.6638 ( 2410 PWs) bands (ev): -43.1931 -43.1931 -20.8102 -20.8102 -18.7846 -18.7846 -18.6510 -18.6510 4.0400 4.0400 4.4223 4.4223 5.4792 5.4792 8.8451 8.8451 9.6669 9.6669 9.9087 9.9087 10.8770 10.8770 12.5249 12.5249 12.8772 12.8772 13.5986 13.5986 14.5628 14.5628 k =-0.2513 0.3980 0.6525 ( 2406 PWs) bands (ev): -43.1931 -43.1931 -20.8099 -20.8099 -18.7840 -18.7840 -18.6508 -18.6508 4.0198 4.0198 4.4084 4.4084 5.4502 5.4502 8.9205 8.9205 9.6657 9.6657 9.9285 9.9285 10.9182 10.9182 12.5246 12.5246 12.9200 12.9200 13.6807 13.6807 14.4752 14.4752 k =-0.2574 0.4076 0.6411 ( 2408 PWs) bands (ev): -43.1932 -43.1932 -20.8097 -20.8097 -18.7835 -18.7835 -18.6506 -18.6506 4.0019 4.0019 4.3961 4.3961 5.4244 5.4244 8.9902 8.9902 9.6634 9.6634 9.9463 9.9463 10.9539 10.9539 12.5198 12.5198 12.9705 12.9705 13.7662 13.7662 14.3873 14.3873 k =-0.2635 0.4172 0.6297 ( 2403 PWs) bands (ev): -43.1932 -43.1932 -20.8094 -20.8094 -18.7831 -18.7831 -18.6504 -18.6504 3.9865 3.9865 4.3853 4.3853 5.4019 5.4019 9.0535 9.0535 9.6602 9.6602 9.9619 9.9619 10.9843 10.9843 12.5124 12.5124 13.0262 13.0262 13.8536 13.8536 14.3006 14.3006 k =-0.2695 0.4268 0.6184 ( 2401 PWs) bands (ev): -43.1932 -43.1932 -20.8092 -20.8092 -18.7828 -18.7828 -18.6503 -18.6503 3.9733 3.9733 4.3761 4.3761 5.3828 5.3828 9.1095 9.1095 9.6562 9.6562 9.9754 9.9754 11.0096 11.0096 12.5039 12.5039 13.0845 13.0845 13.9406 13.9406 14.2168 14.2168 k =-0.2756 0.4364 0.6070 ( 2403 PWs) bands (ev): -43.1932 -43.1932 -20.8090 -20.8090 -18.7825 -18.7825 -18.6502 -18.6502 3.9626 3.9626 4.3686 4.3686 5.3671 5.3671 9.1574 9.1574 9.6519 9.6519 9.9865 9.9865 11.0300 11.0300 12.4956 12.4956 13.1428 13.1428 14.0242 14.0242 14.1386 14.1386 k =-0.2816 0.4460 0.5957 ( 2403 PWs) bands (ev): -43.1933 -43.1933 -20.8089 -20.8089 -18.7822 -18.7822 -18.6501 -18.6501 3.9542 3.9542 4.3627 4.3627 5.3549 5.3549 9.1962 9.1962 9.6476 9.6476 9.9953 9.9953 11.0456 11.0456 12.4884 12.4884 13.1974 13.1974 14.0646 14.0646 14.1048 14.1048 k =-0.2877 0.4556 0.5843 ( 2405 PWs) bands (ev): -43.1933 -43.1933 -20.8088 -20.8088 -18.7821 -18.7821 -18.6500 -18.6500 3.9483 3.9483 4.3585 4.3585 5.3461 5.3461 9.2248 9.2248 9.6439 9.6439 10.0016 10.0016 11.0567 11.0567 12.4827 12.4827 13.2437 13.2437 14.0091 14.0091 14.1667 14.1667 k =-0.2938 0.4652 0.5729 ( 2398 PWs) bands (ev): -43.1932 -43.1932 -20.8087 -20.8087 -18.7820 -18.7820 -18.6499 -18.6499 3.9447 3.9447 4.3560 4.3560 5.3409 5.3409 9.2425 9.2425 9.6413 9.6413 10.0055 10.0055 11.0632 11.0632 12.4792 12.4792 13.2757 13.2757 13.9707 13.9707 14.2101 14.2101 k =-0.2998 0.4748 0.5616 ( 2392 PWs) bands (ev): -43.1932 -43.1932 -20.8087 -20.8087 -18.7819 -18.7819 -18.6499 -18.6499 3.9435 3.9435 4.3551 4.3551 5.3391 5.3391 9.2484 9.2484 9.6404 9.6404 10.0068 10.0068 11.0654 11.0654 12.4780 12.4780 13.2873 13.2873 13.9569 13.9569 14.2257 14.2257 k =-0.2998 0.4748 0.5616 ( 2392 PWs) bands (ev): -43.1932 -43.1932 -20.8087 -20.8087 -18.7819 -18.7819 -18.6499 -18.6499 3.9435 3.9435 4.3551 4.3551 5.3391 5.3391 9.2484 9.2484 9.6404 9.6404 10.0068 10.0068 11.0654 11.0654 12.4780 12.4780 13.2873 13.2873 13.9569 13.9569 14.2257 14.2257 k =-0.2938 0.4653 0.5504 ( 2400 PWs) bands (ev): -43.1932 -43.1932 -20.8090 -20.8090 -18.7827 -18.7827 -18.6498 -18.6498 4.0174 4.0174 4.2671 4.2671 5.3938 5.3938 9.2378 9.2378 9.6219 9.6219 9.9743 9.9743 11.0318 11.0318 12.5379 12.5379 13.3747 13.3747 13.9454 13.9454 14.1233 14.1233 k =-0.2878 0.4558 0.5391 ( 2396 PWs) bands (ev): -43.1931 -43.1931 -20.8093 -20.8093 -18.7834 -18.7834 -18.6496 -18.6496 4.0910 4.0910 4.1704 4.1704 5.4631 5.4631 9.2296 9.2296 9.5983 9.5983 9.9430 9.9430 10.9956 10.9956 12.5964 12.5964 13.4640 13.4640 13.9388 13.9388 14.0249 14.0249 k =-0.2819 0.4464 0.5279 ( 2392 PWs) bands (ev): -43.1930 -43.1930 -20.8095 -20.8095 -18.7840 -18.7840 -18.6495 -18.6495 4.0576 4.0576 4.1761 4.1761 5.5425 5.5425 9.2239 9.2239 9.5699 9.5699 9.9131 9.9131 10.9569 10.9569 12.6523 12.6523 13.5550 13.5550 13.9184 13.9184 13.9491 13.9491 k =-0.2759 0.4369 0.5167 ( 2392 PWs) bands (ev): -43.1930 -43.1930 -20.8097 -20.8097 -18.7845 -18.7845 -18.6494 -18.6494 3.9492 3.9492 4.2550 4.2550 5.6291 5.6291 9.2206 9.2206 9.5366 9.5366 9.8845 9.8845 10.9157 10.9157 12.7041 12.7041 13.6478 13.6478 13.8319 13.8319 13.9488 13.9488 k =-0.2699 0.4274 0.5054 ( 2396 PWs) bands (ev): -43.1930 -43.1930 -20.8099 -20.8099 -18.7849 -18.7849 -18.6492 -18.6492 3.8376 3.8376 4.3370 4.3370 5.7212 5.7212 9.2198 9.2198 9.4990 9.4990 9.8570 9.8570 10.8722 10.8722 12.7501 12.7501 13.7423 13.7423 13.7432 13.7432 13.9607 13.9607 k =-0.2639 0.4179 0.4942 ( 2396 PWs) bands (ev): -43.1930 -43.1930 -20.8100 -20.8100 -18.7852 -18.7852 -18.6491 -18.6491 3.7251 3.7251 4.4212 4.4212 5.8174 5.8174 9.2216 9.2216 9.4572 9.4572 9.8308 9.8308 10.8267 10.8267 12.7882 12.7882 13.6575 13.6575 13.8385 13.8385 13.9802 13.9802 k =-0.2579 0.4084 0.4830 ( 2398 PWs) bands (ev): -43.1930 -43.1930 -20.8100 -20.8100 -18.7854 -18.7854 -18.6490 -18.6490 3.6125 3.6125 4.5073 4.5073 5.9169 5.9169 9.2259 9.2259 9.4116 9.4116 9.8057 9.8057 10.7794 10.7794 12.8166 12.8166 13.5754 13.5754 13.9357 13.9357 14.0084 14.0084 k =-0.2519 0.3989 0.4717 ( 2398 PWs) bands (ev): -43.1930 -43.1930 -20.8100 -20.8100 -18.7854 -18.7854 -18.6488 -18.6488 3.5004 3.5004 4.5954 4.5954 6.0190 6.0190 9.2327 9.2327 9.3627 9.3627 9.7816 9.7816 10.7304 10.7304 12.8334 12.8334 13.4971 13.4971 14.0283 14.0283 14.0514 14.0514 k =-0.2459 0.3894 0.4605 ( 2398 PWs) bands (ev): -43.1930 -43.1930 -20.8100 -20.8100 -18.7854 -18.7854 -18.6487 -18.6487 3.3893 3.3893 4.6854 4.6854 6.1232 6.1232 9.2418 9.2418 9.3111 9.3111 9.7586 9.7586 10.6800 10.6800 12.8377 12.8377 13.4226 13.4226 14.0851 14.0851 14.1409 14.1409 k =-0.2399 0.3799 0.4493 ( 2402 PWs) bands (ev): -43.1931 -43.1931 -20.8099 -20.8099 -18.7853 -18.7853 -18.6486 -18.6486 3.2795 3.2795 4.7773 4.7773 6.2292 6.2292 9.2464 9.2464 9.2639 9.2639 9.7365 9.7365 10.6284 10.6284 12.8290 12.8290 13.3521 13.3521 14.1401 14.1401 14.2424 14.2424 k =-0.2339 0.3704 0.4380 ( 2402 PWs) bands (ev): -43.1931 -43.1931 -20.8097 -20.8097 -18.7850 -18.7850 -18.6485 -18.6485 3.1712 3.1712 4.8709 4.8709 6.3366 6.3366 9.1969 9.1969 9.2712 9.2712 9.7153 9.7153 10.5758 10.5758 12.8082 12.8082 13.2855 13.2855 14.2027 14.2027 14.3460 14.3460 k =-0.2279 0.3609 0.4268 ( 2410 PWs) bands (ev): -43.1932 -43.1932 -20.8096 -20.8096 -18.7846 -18.7846 -18.6484 -18.6484 3.0646 3.0646 4.9663 4.9663 6.4450 6.4450 9.1384 9.1384 9.2883 9.2883 9.6948 9.6948 10.5225 10.5225 12.7763 12.7763 13.2230 13.2230 14.2721 14.2721 14.4509 14.4509 k =-0.2219 0.3514 0.4156 ( 2404 PWs) bands (ev): -43.1932 -43.1932 -20.8093 -20.8093 -18.7842 -18.7842 -18.6483 -18.6483 2.9599 2.9599 5.0634 5.0634 6.5542 6.5542 9.0779 9.0779 9.3085 9.3085 9.6751 9.6751 10.4686 10.4686 12.7352 12.7352 13.1648 13.1648 14.3470 14.3470 14.5567 14.5567 k =-0.2159 0.3419 0.4043 ( 2402 PWs) bands (ev): -43.1932 -43.1932 -20.8090 -20.8090 -18.7836 -18.7836 -18.6482 -18.6482 2.8571 2.8571 5.1623 5.1623 6.6639 6.6639 9.0160 9.0160 9.3314 9.3314 9.6561 9.6561 10.4144 10.4144 12.6868 12.6868 13.1108 13.1108 14.4258 14.4258 14.6630 14.6630 k =-0.2099 0.3324 0.3931 ( 2396 PWs) bands (ev): -43.1932 -43.1932 -20.8087 -20.8087 -18.7829 -18.7829 -18.6480 -18.6480 2.7564 2.7564 5.2627 5.2627 6.7738 6.7738 8.9531 8.9531 9.3571 9.3571 9.6376 9.6376 10.3601 10.3601 12.6329 12.6329 13.0612 13.0612 14.5067 14.5067 14.7694 14.7694 k =-0.2039 0.3229 0.3819 ( 2400 PWs) bands (ev): -43.1933 -43.1933 -20.8083 -20.8083 -18.7822 -18.7822 -18.6479 -18.6479 2.6578 2.6578 5.3647 5.3647 6.8835 6.8835 8.8896 8.8896 9.3855 9.3855 9.6195 9.6195 10.3058 10.3058 12.5753 12.5753 13.0160 13.0160 14.5881 14.5881 14.8753 14.8753 k =-0.1979 0.3134 0.3706 ( 2406 PWs) bands (ev): -43.1934 -43.1934 -20.8079 -20.8079 -18.7813 -18.7813 -18.6478 -18.6478 2.5615 2.5615 5.4683 5.4683 6.9928 6.9928 8.8256 8.8256 9.4166 9.4166 9.6020 9.6020 10.2518 10.2518 12.5157 12.5157 12.9755 12.9755 14.6687 14.6687 14.9799 14.9799 k =-0.1919 0.3039 0.3594 ( 2402 PWs) bands (ev): -43.1934 -43.1934 -20.8075 -20.8075 -18.7804 -18.7804 -18.6477 -18.6477 2.4674 2.4674 5.5733 5.5733 7.1013 7.1013 8.7614 8.7614 9.4504 9.4504 9.5848 9.5848 10.1981 10.1981 12.4556 12.4556 12.9396 12.9396 14.7474 14.7474 15.0818 15.0818 k =-0.1859 0.2944 0.3482 ( 2402 PWs) bands (ev): -43.1935 -43.1935 -20.8070 -20.8070 -18.7794 -18.7794 -18.6476 -18.6476 2.3758 2.3758 5.6797 5.6797 7.2087 7.2087 8.6973 8.6973 9.4867 9.4867 9.5680 9.5680 10.1450 10.1450 12.3963 12.3963 12.9083 12.9083 14.8233 14.8233 15.1516 15.1516 k =-0.1799 0.2849 0.3370 ( 2398 PWs) bands (ev): -43.1935 -43.1935 -20.8065 -20.8065 -18.7783 -18.7783 -18.6475 -18.6475 2.2866 2.2866 5.7874 5.7874 7.3146 7.3146 8.6335 8.6335 9.5248 9.5248 9.5524 9.5524 10.0925 10.0925 12.3388 12.3388 12.8819 12.8819 14.8960 14.8960 15.1804 15.1804 k =-0.1739 0.2754 0.3257 ( 2402 PWs) bands (ev): -43.1937 -43.1937 -20.8059 -20.8059 -18.7771 -18.7771 -18.6475 -18.6475 2.1998 2.1998 5.8964 5.8964 7.4187 7.4187 8.5702 8.5702 9.5329 9.5329 9.5696 9.5696 10.0409 10.0409 12.2844 12.2844 12.8601 12.8601 14.9653 14.9653 15.2100 15.2100 k =-0.1679 0.2659 0.3145 ( 2406 PWs) bands (ev): -43.1938 -43.1938 -20.8054 -20.8054 -18.7759 -18.7759 -18.6474 -18.6474 2.1155 2.1155 6.0065 6.0065 7.5204 7.5204 8.5075 8.5075 9.5173 9.5173 9.6134 9.6134 9.9902 9.9902 12.2338 12.2338 12.8431 12.8431 15.0310 15.0310 15.2401 15.2401 k =-0.1619 0.2564 0.3033 ( 2406 PWs) bands (ev): -43.1939 -43.1939 -20.8048 -20.8048 -18.7747 -18.7747 -18.6473 -18.6473 2.0339 2.0339 6.1176 6.1176 7.6195 7.6195 8.4457 8.4457 9.5012 9.5012 9.6602 9.6602 9.9407 9.9407 12.1879 12.1879 12.8309 12.8309 15.0932 15.0932 15.2709 15.2709 k =-0.1559 0.2469 0.2920 ( 2410 PWs) bands (ev): -43.1941 -43.1941 -20.8042 -20.8042 -18.7734 -18.7734 -18.6472 -18.6472 1.9548 1.9548 6.2296 6.2296 7.7154 7.7154 8.3849 8.3849 9.4851 9.4851 9.7096 9.7096 9.8926 9.8926 12.1475 12.1475 12.8233 12.8233 15.1516 15.1516 15.3022 15.3022 k =-0.1499 0.2374 0.2808 ( 2410 PWs) bands (ev): -43.1942 -43.1942 -20.8036 -20.8036 -18.7720 -18.7720 -18.6470 -18.6470 1.8784 1.8784 6.3425 6.3425 7.8076 7.8076 8.3252 8.3252 9.4691 9.4691 9.7604 9.7604 9.8468 9.8468 12.1132 12.1132 12.8204 12.8204 15.2059 15.2059 15.3341 15.3341 k =-0.1439 0.2279 0.2696 ( 2406 PWs) bands (ev): -43.1942 -43.1942 -20.8029 -20.8029 -18.7706 -18.7706 -18.6469 -18.6469 1.8047 1.8047 6.4560 6.4560 7.8959 7.8959 8.2669 8.2669 9.4532 9.4532 9.7894 9.7894 9.8266 9.8266 12.0858 12.0858 12.8221 12.8221 15.2546 15.2546 15.3593 15.3593 k =-0.1379 0.2184 0.2583 ( 2414 PWs) bands (ev): -43.1944 -43.1944 -20.8023 -20.8023 -18.7692 -18.7692 -18.6468 -18.6468 1.7336 1.7336 6.5700 6.5700 7.9797 7.9797 8.2099 8.2099 9.4375 9.4375 9.7512 9.7512 9.8776 9.8776 12.0656 12.0656 12.8282 12.8282 15.2677 15.2677 15.2914 15.2914 k =-0.1319 0.2089 0.2471 ( 2414 PWs) bands (ev): -43.1945 -43.1945 -20.8016 -20.8016 -18.7678 -18.7678 -18.6467 -18.6467 1.6654 1.6654 6.6843 6.6843 8.0585 8.0585 8.1547 8.1547 9.4219 9.4219 9.7089 9.7089 9.9366 9.9366 12.0530 12.0530 12.8388 12.8388 15.1591 15.1591 15.2172 15.2172 k =-0.1259 0.1994 0.2359 ( 2414 PWs) bands (ev): -43.1946 -43.1946 -20.8010 -20.8010 -18.7664 -18.7664 -18.6466 -18.6466 1.5999 1.5999 6.7987 6.7987 8.1000 8.1000 8.1333 8.1333 9.4065 9.4065 9.6676 9.6676 9.9986 9.9986 12.0485 12.0485 12.8536 12.8536 15.0370 15.0370 15.0952 15.0952 k =-0.1199 0.1899 0.2246 ( 2424 PWs) bands (ev): -43.1949 -43.1949 -20.8003 -20.8003 -18.7651 -18.7651 -18.6464 -18.6464 1.5373 1.5373 6.9131 6.9131 8.0486 8.0486 8.2011 8.2011 9.3913 9.3913 9.6277 9.6277 10.0629 10.0629 12.0522 12.0522 12.8724 12.8724 14.9098 14.9098 14.9676 14.9676 k =-0.1139 0.1804 0.2134 ( 2428 PWs) bands (ev): -43.1950 -43.1950 -20.7997 -20.7997 -18.7637 -18.7637 -18.6463 -18.6463 1.4775 1.4775 7.0271 7.0271 7.9986 7.9986 8.2638 8.2638 9.3764 9.3764 9.5895 9.5895 10.1296 10.1296 12.0641 12.0641 12.8952 12.8952 14.7810 14.7810 14.8371 14.8371 k =-0.1079 0.1709 0.2022 ( 2428 PWs) bands (ev): -43.1951 -43.1951 -20.7991 -20.7991 -18.7623 -18.7623 -18.6462 -18.6462 1.4206 1.4206 7.1404 7.1404 7.9505 7.9505 8.3207 8.3207 9.3618 9.3618 9.5529 9.5529 10.1985 10.1985 12.0842 12.0842 12.9218 12.9218 14.6522 14.6522 14.7050 14.7050 k =-0.1019 0.1614 0.1909 ( 2432 PWs) bands (ev): -43.1953 -43.1953 -20.7984 -20.7984 -18.7610 -18.7610 -18.6460 -18.6460 1.3666 1.3666 7.2528 7.2528 7.9045 7.9045 8.3719 8.3719 9.3477 9.3477 9.5180 9.5180 10.2694 10.2694 12.1121 12.1121 12.9519 12.9519 14.5240 14.5240 14.5723 14.5723 k =-0.0959 0.1519 0.1797 ( 2432 PWs) bands (ev): -43.1954 -43.1954 -20.7978 -20.7978 -18.7597 -18.7597 -18.6459 -18.6459 1.3155 1.3155 7.3639 7.3639 7.8607 7.8607 8.4175 8.4175 9.3340 9.3340 9.4850 9.4850 10.3421 10.3421 12.1476 12.1476 12.9853 12.9853 14.3970 14.3970 14.4400 14.4400 k =-0.0900 0.1425 0.1685 ( 2422 PWs) bands (ev): -43.1954 -43.1954 -20.7972 -20.7972 -18.7584 -18.7584 -18.6457 -18.6457 1.2675 1.2675 7.4732 7.4732 7.8192 7.8192 8.4575 8.4575 9.3208 9.3208 9.4537 9.4537 10.4167 10.4167 12.1900 12.1900 13.0216 13.0216 14.2715 14.2715 14.3091 14.3091 k =-0.0840 0.1330 0.1572 ( 2418 PWs) bands (ev): -43.1954 -43.1954 -20.7966 -20.7966 -18.7572 -18.7572 -18.6455 -18.6455 1.2223 1.2223 7.5804 7.5804 7.7800 7.7800 8.4924 8.4924 9.3082 9.3082 9.4244 9.4244 10.4927 10.4927 12.2386 12.2386 13.0606 13.0606 14.1472 14.1472 14.1810 14.1810 k =-0.0780 0.1235 0.1460 ( 2414 PWs) bands (ev): -43.1955 -43.1955 -20.7961 -20.7961 -18.7560 -18.7560 -18.6454 -18.6454 1.1802 1.1802 7.6843 7.6843 7.7438 7.7438 8.5224 8.5224 9.2963 9.2963 9.3969 9.3969 10.5699 10.5699 12.2925 12.2925 13.1018 13.1018 14.0238 14.0238 14.0572 14.0572 k =-0.0720 0.1140 0.1348 ( 2414 PWs) bands (ev): -43.1955 -43.1955 -20.7956 -20.7956 -18.7549 -18.7549 -18.6452 -18.6452 1.1412 1.1412 7.7077 7.7077 7.7874 7.7874 8.5479 8.5479 9.2851 9.2851 9.3714 9.3714 10.6482 10.6482 12.3506 12.3506 13.1448 13.1448 13.9011 13.9011 13.9391 13.9391 k =-0.0660 0.1045 0.1235 ( 2422 PWs) bands (ev): -43.1957 -43.1957 -20.7951 -20.7951 -18.7539 -18.7539 -18.6451 -18.6451 1.1051 1.1051 7.6762 7.6762 7.8844 7.8844 8.5694 8.5694 9.2747 9.2747 9.3478 9.3478 10.7270 10.7270 12.4119 12.4119 13.1889 13.1889 13.7799 13.7799 13.8273 13.8273 k =-0.0600 0.0950 0.1123 ( 2418 PWs) bands (ev): -43.1958 -43.1958 -20.7946 -20.7946 -18.7530 -18.7530 -18.6449 -18.6449 1.0722 1.0722 7.6469 7.6469 7.9773 7.9773 8.5872 8.5872 9.2652 9.2652 9.3263 9.3263 10.8060 10.8060 12.4749 12.4749 13.2334 13.2334 13.6615 13.6615 13.7221 13.7221 k =-0.0540 0.0855 0.1011 ( 2422 PWs) bands (ev): -43.1959 -43.1959 -20.7942 -20.7942 -18.7521 -18.7521 -18.6448 -18.6448 1.0423 1.0423 7.6203 7.6203 8.0650 8.0650 8.6019 8.6019 9.2565 9.2565 9.3067 9.3067 10.8845 10.8845 12.5384 12.5384 13.2766 13.2766 13.5479 13.5479 13.6240 13.6240 k =-0.0480 0.0760 0.0899 ( 2426 PWs) bands (ev): -43.1960 -43.1960 -20.7938 -20.7938 -18.7513 -18.7513 -18.6447 -18.6447 1.0156 1.0156 7.5963 7.5963 8.1467 8.1467 8.6138 8.6138 9.2487 9.2487 9.2893 9.2893 10.9618 10.9618 12.6008 12.6008 13.3135 13.3135 13.4434 13.4434 13.5346 13.5346 k =-0.0420 0.0665 0.0786 ( 2422 PWs) bands (ev): -43.1960 -43.1960 -20.7935 -20.7935 -18.7506 -18.7506 -18.6445 -18.6445 0.9919 0.9919 7.5750 7.5750 8.2215 8.2215 8.6233 8.6233 9.2419 9.2419 9.2739 9.2739 11.0370 11.0370 12.6605 12.6605 13.3046 13.3046 13.3825 13.3825 13.4604 13.4604 k =-0.0360 0.0570 0.0674 ( 2410 PWs) bands (ev): -43.1959 -43.1959 -20.7932 -20.7932 -18.7500 -18.7500 -18.6444 -18.6444 0.9714 0.9714 7.5565 7.5565 8.2885 8.2885 8.6308 8.6308 9.2359 9.2359 9.2607 9.2607 11.1087 11.1087 12.7157 12.7157 13.2234 13.2234 13.3533 13.3533 13.4409 13.4409 k =-0.0300 0.0475 0.0562 ( 2404 PWs) bands (ev): -43.1959 -43.1959 -20.7929 -20.7929 -18.7495 -18.7495 -18.6443 -18.6443 0.9540 0.9540 7.5407 7.5407 8.3469 8.3469 8.6367 8.6367 9.2307 9.2307 9.2498 9.2498 11.1754 11.1754 12.7645 12.7645 13.1398 13.1398 13.2963 13.2963 13.4678 13.4678 k =-0.0240 0.0380 0.0449 ( 2400 PWs) bands (ev): -43.1958 -43.1958 -20.7927 -20.7927 -18.7490 -18.7490 -18.6442 -18.6442 0.9398 0.9398 7.5278 7.5278 8.3960 8.3960 8.6410 8.6410 9.2262 9.2262 9.2412 9.2412 11.2351 11.2351 12.8043 12.8043 13.0674 13.0674 13.2436 13.2436 13.4981 13.4981 k =-0.0180 0.0285 0.0337 ( 2396 PWs) bands (ev): -43.1958 -43.1958 -20.7925 -20.7925 -18.7487 -18.7487 -18.6442 -18.6442 0.9287 0.9287 7.5178 7.5178 8.4350 8.4350 8.6442 8.6442 9.2223 9.2223 9.2351 9.2351 11.2856 11.2856 12.8319 12.8319 13.0118 13.0118 13.2007 13.2007 13.5245 13.5245 k =-0.0120 0.0190 0.0225 ( 2396 PWs) bands (ev): -43.1958 -43.1958 -20.7924 -20.7924 -18.7484 -18.7484 -18.6441 -18.6441 0.9208 0.9208 7.5105 7.5105 8.4632 8.4632 8.6464 8.6464 9.2191 9.2191 9.2311 9.2311 11.3242 11.3242 12.8440 12.8440 12.9779 12.9779 13.1694 13.1694 13.5447 13.5447 k =-0.0060 0.0095 0.0112 ( 2396 PWs) bands (ev): -43.1958 -43.1958 -20.7923 -20.7923 -18.7483 -18.7483 -18.6441 -18.6441 0.9160 0.9160 7.5062 7.5062 8.4804 8.4804 8.6476 8.6476 9.2170 9.2170 9.2290 9.2290 11.3486 11.3486 12.8433 12.8433 12.9646 12.9646 13.1503 13.1503 13.5573 13.5573 k = 0.0000 0.0000 0.0000 ( 2397 PWs) bands (ev): -43.1959 -43.1959 -20.7923 -20.7923 -18.7482 -18.7482 -18.6441 -18.6441 0.9144 0.9144 7.5048 7.5048 8.4861 8.4861 8.6480 8.6480 9.2162 9.2162 9.2284 9.2284 11.3570 11.3570 12.8410 12.8410 12.9620 12.9620 13.1439 13.1439 13.5616 13.5616 k = 0.0000 0.0000 0.0000 ( 2397 PWs) bands (ev): -43.1959 -43.1959 -20.7923 -20.7923 -18.7482 -18.7482 -18.6441 -18.6441 0.9144 0.9144 7.5048 7.5048 8.4861 8.4861 8.6480 8.6480 9.2162 9.2162 9.2284 9.2284 11.3570 11.3570 12.8410 12.8410 12.9620 12.9620 13.1439 13.1439 13.5616 13.5616 k = 0.0135 0.0085 0.0000 ( 2397 PWs) bands (ev): -43.1959 -43.1959 -20.7923 -20.7923 -18.7482 -18.7482 -18.6441 -18.6441 0.9160 0.9160 7.4820 7.4820 8.5090 8.5090 8.6468 8.6468 9.2173 9.2173 9.2294 9.2294 11.3572 11.3572 12.8385 12.8385 12.9595 12.9595 13.1474 13.1474 13.5526 13.5526 k = 0.0270 0.0171 0.0000 ( 2397 PWs) bands (ev): -43.1959 -43.1959 -20.7923 -20.7923 -18.7482 -18.7482 -18.6441 -18.6441 0.9208 0.9208 7.4191 7.4191 8.5722 8.5722 8.6432 8.6432 9.2203 9.2203 9.2325 9.2325 11.3580 11.3580 12.8311 12.8311 12.9519 12.9519 13.1580 13.1580 13.5263 13.5263 k = 0.0405 0.0256-0.0000 ( 2398 PWs) bands (ev): -43.1959 -43.1959 -20.7923 -20.7923 -18.7483 -18.7483 -18.6442 -18.6442 0.9288 0.9288 7.3277 7.3277 8.6373 8.6373 8.6640 8.6640 9.2254 9.2254 9.2378 9.2378 11.3594 11.3594 12.8188 12.8188 12.9394 12.9394 13.1755 13.1755 13.4846 13.4846 k = 0.0541 0.0341 0.0000 ( 2398 PWs) bands (ev): -43.1959 -43.1959 -20.7924 -20.7924 -18.7483 -18.7483 -18.6443 -18.6443 0.9400 0.9400 7.2179 7.2179 8.6292 8.6292 8.7740 8.7740 9.2325 9.2325 9.2451 9.2451 11.3612 11.3612 12.8017 12.8017 12.9219 12.9219 13.2000 13.2000 13.4302 13.4302 k = 0.0676 0.0427 0.0000 ( 2402 PWs) bands (ev): -43.1959 -43.1959 -20.7924 -20.7924 -18.7483 -18.7483 -18.6444 -18.6444 0.9543 0.9543 7.0969 7.0969 8.6189 8.6189 8.8949 8.8949 9.2417 9.2417 9.2545 9.2545 11.3636 11.3636 12.7799 12.7799 12.8996 12.8996 13.2313 13.2313 13.3662 13.3662 k = 0.0811 0.0512-0.0000 ( 2402 PWs) bands (ev): -43.1959 -43.1959 -20.7925 -20.7925 -18.7483 -18.7483 -18.6445 -18.6445 0.9719 0.9719 6.9690 6.9690 8.6065 8.6065 9.0221 9.0221 9.2531 9.2531 9.2659 9.2659 11.3665 11.3665 12.7536 12.7536 12.8726 12.8726 13.2692 13.2692 13.2956 13.2956 k = 0.0946 0.0597 0.0000 ( 2410 PWs) bands (ev): -43.1960 -43.1960 -20.7925 -20.7925 -18.7483 -18.7483 -18.6447 -18.6447 0.9926 0.9926 6.8367 6.8367 8.5924 8.5924 9.1520 9.1520 9.2669 9.2669 9.2794 9.2794 11.3699 11.3699 12.7228 12.7228 12.8410 12.8410 13.2212 13.2212 13.3136 13.3136 k = 0.1081 0.0683-0.0000 ( 2418 PWs) bands (ev): -43.1961 -43.1961 -20.7926 -20.7926 -18.7484 -18.7484 -18.6449 -18.6449 1.0164 1.0164 6.7017 6.7017 8.5765 8.5765 9.2693 9.2693 9.2945 9.2945 9.2969 9.2969 11.3736 11.3736 12.6879 12.6879 12.8050 12.8050 13.1456 13.1456 13.3643 13.3643 k = 0.1216 0.0768 0.0000 ( 2418 PWs) bands (ev): -43.1961 -43.1961 -20.7927 -20.7927 -18.7484 -18.7484 -18.6450 -18.6450 1.0434 1.0434 6.5652 6.5652 8.5590 8.5590 9.2958 9.2958 9.3124 9.3124 9.4183 9.4183 11.3779 11.3779 12.6491 12.6491 12.7649 12.7649 13.0711 13.0711 13.4210 13.4210 k = 0.1351 0.0853 0.0000 ( 2418 PWs) bands (ev): -43.1961 -43.1961 -20.7927 -20.7927 -18.7484 -18.7484 -18.6453 -18.6453 1.0734 1.0734 6.4278 6.4278 8.5403 8.5403 9.3154 9.3154 9.3320 9.3320 9.5469 9.5469 11.3825 11.3825 12.6067 12.6067 12.7209 12.7209 12.9997 12.9997 13.4837 13.4837 k = 0.1486 0.0939-0.0000 ( 2414 PWs) bands (ev): -43.1961 -43.1961 -20.7928 -20.7928 -18.7484 -18.7484 -18.6455 -18.6455 1.1066 1.1066 6.2900 6.2900 8.5204 8.5204 9.3365 9.3365 9.3535 9.3535 9.6726 9.6726 11.3876 11.3876 12.5610 12.5610 12.6732 12.6732 12.9334 12.9334 13.5520 13.5520 k = 0.1622 0.1024-0.0000 ( 2406 PWs) bands (ev): -43.1959 -43.1959 -20.7929 -20.7929 -18.7485 -18.7485 -18.6457 -18.6457 1.1428 1.1428 6.1522 6.1522 8.4996 8.4996 9.3593 9.3593 9.3770 9.3770 9.7935 9.7935 11.3930 11.3930 12.5123 12.5123 12.6221 12.6221 12.8742 12.8742 13.6258 13.6258 k = 0.1757 0.1109 0.0000 ( 2410 PWs) bands (ev): -43.1960 -43.1960 -20.7929 -20.7929 -18.7485 -18.7485 -18.6460 -18.6460 1.1821 1.1821 6.0147 6.0147 8.4781 8.4781 9.3839 9.3839 9.4024 9.4024 9.9081 9.9081 11.3986 11.3986 12.4609 12.4609 12.5678 12.5678 12.8239 12.8239 13.7047 13.7047 k = 0.1892 0.1195 0.0000 ( 2414 PWs) bands (ev): -43.1960 -43.1960 -20.7930 -20.7930 -18.7485 -18.7485 -18.6462 -18.6462 1.2244 1.2244 5.8776 5.8776 8.4559 8.4559 9.4102 9.4102 9.4296 9.4296 10.0148 10.0148 11.4046 11.4046 12.4068 12.4068 12.5106 12.5106 12.7846 12.7846 13.7886 13.7886 k = 0.2027 0.1280 0.0000 ( 2406 PWs) bands (ev): -43.1959 -43.1959 -20.7931 -20.7931 -18.7485 -18.7485 -18.6465 -18.6465 1.2696 1.2696 5.7411 5.7411 8.4335 8.4335 9.4384 9.4384 9.4587 9.4587 10.1120 10.1120 11.4108 11.4108 12.3504 12.3504 12.4509 12.4509 12.7582 12.7582 13.8773 13.8773 k = 0.2162 0.1365-0.0000 ( 2394 PWs) bands (ev): -43.1958 -43.1958 -20.7932 -20.7932 -18.7486 -18.7486 -18.6468 -18.6468 1.3178 1.3178 5.6055 5.6055 8.4109 8.4109 9.4682 9.4682 9.4896 9.4896 10.1983 10.1983 11.4171 11.4171 12.2916 12.2916 12.3890 12.3890 12.7465 12.7465 13.9704 13.9704 k = 0.2297 0.1451 0.0000 ( 2406 PWs) bands (ev): -43.1959 -43.1959 -20.7933 -20.7933 -18.7486 -18.7486 -18.6471 -18.6471 1.3689 1.3689 5.4707 5.4707 8.3882 8.3882 9.4996 9.4996 9.5221 9.5221 10.2724 10.2724 11.4236 11.4236 12.2308 12.2308 12.3251 12.3251 12.7508 12.7508 14.0679 14.0679 k = 0.2432 0.1536 0.0000 ( 2390 PWs) bands (ev): -43.1957 -43.1957 -20.7934 -20.7934 -18.7486 -18.7486 -18.6473 -18.6473 1.4229 1.4229 5.3369 5.3369 8.3657 8.3657 9.5327 9.5327 9.5564 9.5564 10.3336 10.3336 11.4302 11.4302 12.1681 12.1681 12.2596 12.2596 12.7721 12.7721 14.1694 14.1694 k = 0.2568 0.1621 0.0000 ( 2390 PWs) bands (ev): -43.1957 -43.1957 -20.7935 -20.7935 -18.7487 -18.7487 -18.6476 -18.6476 1.4796 1.4796 5.2043 5.2043 8.3435 8.3435 9.5672 9.5672 9.5922 9.5922 10.3816 10.3816 11.4368 11.4368 12.1039 12.1039 12.1927 12.1927 12.8104 12.8104 14.2748 14.2748 k = 0.2703 0.1707 0.0000 ( 2390 PWs) bands (ev): -43.1957 -43.1957 -20.7935 -20.7935 -18.7487 -18.7487 -18.6479 -18.6479 1.5391 1.5391 5.0728 5.0728 8.3218 8.3218 9.6032 9.6032 9.6295 9.6295 10.4167 10.4167 11.4433 11.4433 12.0386 12.0386 12.1249 12.1249 12.8653 12.8653 14.3838 14.3838 k = 0.2838 0.1792-0.0000 ( 2390 PWs) bands (ev): -43.1957 -43.1957 -20.7936 -20.7936 -18.7487 -18.7487 -18.6482 -18.6482 1.6013 1.6013 4.9427 4.9427 8.3006 8.3006 9.6405 9.6405 9.6682 9.6682 10.4401 10.4401 11.4498 11.4498 11.9724 11.9724 12.0563 12.0563 12.9356 12.9356 14.4963 14.4963 k = 0.2973 0.1877-0.0000 ( 2390 PWs) bands (ev): -43.1957 -43.1957 -20.7937 -20.7937 -18.7488 -18.7488 -18.6485 -18.6485 1.6661 1.6661 4.8139 4.8139 8.2802 8.2802 9.6790 9.6790 9.7081 9.7081 10.4531 10.4531 11.4561 11.4561 11.9057 11.9057 11.9875 11.9875 13.0193 13.0193 14.6121 14.6121 k = 0.3108 0.1963 0.0000 ( 2390 PWs) bands (ev): -43.1956 -43.1956 -20.7938 -20.7938 -18.7488 -18.7488 -18.6487 -18.6487 1.7335 1.7335 4.6867 4.6867 8.2606 8.2606 9.7185 9.7185 9.7492 9.7492 10.4573 10.4573 11.4622 11.4622 11.8389 11.8389 11.9187 11.9187 13.1146 13.1146 14.7309 14.7309 k = 0.3243 0.2048-0.0000 ( 2394 PWs) bands (ev): -43.1957 -43.1957 -20.7939 -20.7939 -18.7488 -18.7488 -18.6490 -18.6490 1.8033 1.8033 4.5610 4.5610 8.2419 8.2419 9.7589 9.7589 9.7912 9.7912 10.4546 10.4546 11.4679 11.4679 11.7724 11.7724 11.8503 11.8503 13.2191 13.2191 14.8525 14.8525 k = 0.3378 0.2133 0.0000 ( 2386 PWs) bands (ev): -43.1956 -43.1956 -20.7940 -20.7940 -18.7489 -18.7489 -18.6493 -18.6493 1.8755 1.8755 4.4371 4.4371 8.2242 8.2242 9.8000 9.8000 9.8339 9.8339 10.4465 10.4465 11.4731 11.4731 11.7066 11.7066 11.7828 11.7828 13.3306 13.3306 14.9769 14.9769 k = 0.3514 0.2219 0.0000 ( 2382 PWs) bands (ev): -43.1955 -43.1955 -20.7940 -20.7940 -18.7489 -18.7489 -18.6495 -18.6495 1.9498 1.9498 4.3151 4.3151 8.2077 8.2077 9.8416 9.8416 9.8771 9.8771 10.4347 10.4347 11.4776 11.4776 11.6417 11.6417 11.7169 11.7169 13.4467 13.4467 15.1037 15.1037 k = 0.3649 0.2304-0.0000 ( 2382 PWs) bands (ev): -43.1955 -43.1955 -20.7941 -20.7941 -18.7489 -18.7489 -18.6497 -18.6497 2.0262 2.0262 4.1952 4.1952 8.1923 8.1923 9.8832 9.8832 9.9205 9.9205 10.4204 10.4204 11.4807 11.4807 11.5784 11.5784 11.6535 11.6535 13.5652 13.5652 15.2328 15.2328 k = 0.3784 0.2389 0.0000 ( 2382 PWs) bands (ev): -43.1955 -43.1955 -20.7942 -20.7942 -18.7489 -18.7489 -18.6499 -18.6499 2.1043 2.1043 4.0776 4.0776 8.1782 8.1782 9.9245 9.9245 9.9636 9.9636 10.4048 10.4048 11.4808 11.4808 11.5170 11.5170 11.5948 11.5948 13.6840 13.6840 15.3640 15.3640 k = 0.3919 0.2475 0.0000 ( 2378 PWs) bands (ev): -43.1955 -43.1955 -20.7942 -20.7942 -18.7489 -18.7489 -18.6501 -18.6501 2.1840 2.1840 3.9626 3.9626 8.1654 8.1654 9.9651 9.9651 10.0060 10.0060 10.3887 10.3887 11.4582 11.4582 11.4718 11.4718 11.5473 11.5473 13.8006 13.8006 15.4971 15.4971 k = 0.4054 0.2560 0.0000 ( 2370 PWs) bands (ev): -43.1954 -43.1954 -20.7943 -20.7943 -18.7490 -18.7490 -18.6503 -18.6503 2.2646 2.2646 3.8508 3.8508 8.1540 8.1540 10.0044 10.0044 10.0471 10.0471 10.3730 10.3730 11.4027 11.4027 11.4417 11.4417 11.5238 11.5238 13.9129 13.9129 15.6319 15.6319 k = 0.4189 0.2645 0.0000 ( 2370 PWs) bands (ev): -43.1953 -43.1953 -20.7943 -20.7943 -18.7490 -18.7490 -18.6504 -18.6504 2.3456 2.3456 3.7427 3.7427 8.1441 8.1441 10.0416 10.0416 10.0862 10.0862 10.3583 10.3583 11.3513 11.3513 11.3974 11.3974 11.5181 11.5181 14.0183 14.0183 15.7682 15.7682 k = 0.4324 0.2731 0.0000 ( 2370 PWs) bands (ev): -43.1953 -43.1953 -20.7944 -20.7944 -18.7490 -18.7490 -18.6506 -18.6506 2.4259 2.4259 3.6395 3.6395 8.1355 8.1355 10.0760 10.0760 10.1222 10.1222 10.3451 10.3451 11.3048 11.3048 11.3524 11.3524 11.5177 11.5177 14.1142 14.1142 15.9058 15.9058 k = 0.4459 0.2816 0.0000 ( 2358 PWs) bands (ev): -43.1952 -43.1952 -20.7944 -20.7944 -18.7490 -18.7490 -18.6506 -18.6506 2.5039 2.5039 3.5428 3.5428 8.1285 8.1285 10.1065 10.1065 10.1543 10.1543 10.3338 10.3338 11.2644 11.2644 11.3118 11.3118 11.5185 11.5185 14.1980 14.1980 16.0444 16.0444 k = 0.4595 0.2901 0.0000 ( 2358 PWs) bands (ev): -43.1952 -43.1952 -20.7944 -20.7944 -18.7490 -18.7490 -18.6507 -18.6507 2.5766 2.5766 3.4555 3.4555 8.1231 8.1231 10.1319 10.1319 10.1812 10.1812 10.3247 10.3247 11.2312 11.2312 11.2779 11.2779 11.5197 11.5197 14.2668 14.2668 16.1838 16.1838 k = 0.4730 0.2987 0.0000 ( 2358 PWs) bands (ev): -43.1952 -43.1952 -20.7945 -20.7945 -18.7490 -18.7490 -18.6508 -18.6508 2.6391 2.6391 3.3826 3.3826 8.1191 8.1191 10.1512 10.1512 10.2015 10.2015 10.3179 10.3179 11.2063 11.2063 11.2523 11.2523 11.5206 11.5206 14.3183 14.3183 16.3235 16.3235 k = 0.4865 0.3072 0.0000 ( 2358 PWs) bands (ev): -43.1952 -43.1952 -20.7945 -20.7945 -18.7490 -18.7490 -18.6508 -18.6508 2.6834 2.6834 3.3321 3.3321 8.1168 8.1168 10.1633 10.1633 10.2143 10.2143 10.3138 10.3138 11.1909 11.1909 11.2363 11.2363 11.5212 11.5212 14.3501 14.3501 16.4620 16.4620 k = 0.5000 0.3157 0.0000 ( 2378 PWs) bands (ev): -43.1954 -43.1954 -20.7945 -20.7945 -18.7490 -18.7490 -18.6509 -18.6509 2.6998 2.6998 3.3136 3.3136 8.1160 8.1160 10.1675 10.1675 10.2187 10.2187 10.3124 10.3124 11.1856 11.1856 11.2308 11.2308 11.5214 11.5214 14.3608 14.3608 16.5701 16.5701 k = 0.5000 0.3157 0.0000 ( 2378 PWs) bands (ev): -43.1954 -43.1954 -20.7945 -20.7945 -18.7490 -18.7490 -18.6509 -18.6509 2.6998 2.6998 3.3136 3.3136 8.1160 8.1160 10.1675 10.1675 10.2187 10.2187 10.3124 10.3124 11.1856 11.1856 11.2308 11.2308 11.5214 11.5214 14.3608 14.3608 16.5701 16.5701 k = 0.4939 0.3253 0.0114 ( 2374 PWs) bands (ev): -43.1954 -43.1954 -20.7945 -20.7945 -18.7491 -18.7491 -18.6509 -18.6509 2.7009 2.7009 3.3154 3.3154 8.1126 8.1126 10.1303 10.1303 10.1977 10.1977 10.3678 10.3678 11.1847 11.1847 11.2300 11.2300 11.5242 11.5242 14.3661 14.3661 16.5622 16.5622 k = 0.4879 0.3349 0.0227 ( 2366 PWs) bands (ev): -43.1953 -43.1953 -20.7946 -20.7946 -18.7492 -18.7492 -18.6509 -18.6509 2.7044 2.7044 3.3205 3.3205 8.1022 8.1022 10.0472 10.0472 10.1844 10.1844 10.4562 10.4562 11.1813 11.1813 11.2277 11.2277 11.5325 11.5325 14.3818 14.3818 16.5391 16.5391 k = 0.4818 0.3445 0.0341 ( 2362 PWs) bands (ev): -43.1952 -43.1952 -20.7947 -20.7947 -18.7495 -18.7495 -18.6509 -18.6509 2.7102 2.7102 3.3290 3.3290 8.0844 8.0844 9.9578 9.9578 10.1700 10.1700 10.5475 10.5475 11.1744 11.1744 11.2251 11.2251 11.5462 11.5462 14.4074 14.4074 16.5029 16.5029 k = 0.4757 0.3542 0.0454 ( 2362 PWs) bands (ev): -43.1952 -43.1952 -20.7948 -20.7948 -18.7498 -18.7498 -18.6509 -18.6509 2.7183 2.7183 3.3410 3.3410 8.0588 8.0588 9.8703 9.8703 10.1517 10.1517 10.6377 10.6377 11.1630 11.1630 11.2236 11.2236 11.5650 11.5650 14.4424 14.4424 16.4556 16.4556 k = 0.4697 0.3638 0.0568 ( 2366 PWs) bands (ev): -43.1952 -43.1952 -20.7950 -20.7950 -18.7502 -18.7502 -18.6510 -18.6510 2.7287 2.7287 3.3563 3.3563 8.0244 8.0244 9.7876 9.7876 10.1292 10.1292 10.7251 10.7251 11.1466 11.1466 11.2236 11.2236 11.5885 11.5885 14.4857 14.4857 16.3996 16.3996 k = 0.4636 0.3734 0.0682 ( 2370 PWs) bands (ev): -43.1952 -43.1952 -20.7953 -20.7953 -18.7508 -18.7508 -18.6510 -18.6510 2.7415 2.7415 3.3750 3.3750 7.9806 7.9806 9.7115 9.7115 10.1029 10.1029 10.8091 10.8091 11.1258 11.1258 11.2251 11.2251 11.6165 11.6165 14.5359 14.5359 16.3371 16.3371 k = 0.4575 0.3830 0.0795 ( 2366 PWs) bands (ev): -43.1951 -43.1951 -20.7956 -20.7956 -18.7514 -18.7514 -18.6511 -18.6511 2.7565 2.7565 3.3970 3.3970 7.9267 7.9267 9.6437 9.6437 10.0734 10.0734 10.8885 10.8885 11.1019 11.1019 11.2277 11.2277 11.6485 11.6485 14.5915 14.5915 16.2703 16.2703 k = 0.4515 0.3926 0.0909 ( 2370 PWs) bands (ev): -43.1951 -43.1951 -20.7959 -20.7959 -18.7521 -18.7521 -18.6511 -18.6511 2.7739 2.7739 3.4223 3.4223 7.8622 7.8622 9.5852 9.5852 10.0411 10.0411 10.9597 10.9597 11.0787 11.0787 11.2312 11.2312 11.6842 11.6842 14.6502 14.6502 16.2015 16.2015 k = 0.4454 0.4022 0.1022 ( 2378 PWs) bands (ev): -43.1951 -43.1951 -20.7963 -20.7963 -18.7529 -18.7529 -18.6512 -18.6512 2.7935 2.7935 3.4509 3.4509 7.7870 7.7870 9.5366 9.5366 10.0065 10.0065 11.0003 11.0003 11.0792 11.0792 11.2357 11.2357 11.7231 11.7231 14.7093 14.7093 16.1333 16.1333 k = 0.4393 0.4118 0.1136 ( 2386 PWs) bands (ev): -43.1952 -43.1952 -20.7967 -20.7967 -18.7538 -18.7538 -18.6512 -18.6512 2.8155 2.8155 3.4827 3.4827 7.7015 7.7015 9.4981 9.4981 9.9701 9.9701 10.9837 10.9837 11.1296 11.1296 11.2416 11.2416 11.7650 11.7650 14.7654 14.7654 16.0686 16.0686 k = 0.4333 0.4214 0.1250 ( 2394 PWs) bands (ev): -43.1952 -43.1952 -20.7971 -20.7971 -18.7548 -18.7548 -18.6513 -18.6513 2.8398 2.8398 3.5177 3.5177 7.6062 7.6062 9.4694 9.4694 9.9322 9.9322 10.9495 10.9495 11.1883 11.1883 11.2516 11.2516 11.8096 11.8096 14.8148 14.8148 16.0109 16.0109 k = 0.4272 0.4310 0.1363 ( 2398 PWs) bands (ev): -43.1952 -43.1952 -20.7976 -20.7976 -18.7558 -18.7558 -18.6513 -18.6513 2.8663 2.8663 3.5559 3.5559 7.5022 7.5022 9.4499 9.4499 9.8934 9.8934 10.9102 10.9102 11.2280 11.2280 11.2807 11.2807 11.8567 11.8567 14.8528 14.8528 15.9637 15.9637 k = 0.4212 0.4406 0.1477 ( 2398 PWs) bands (ev): -43.1951 -43.1951 -20.7981 -20.7981 -18.7569 -18.7569 -18.6514 -18.6514 2.8952 2.8952 3.5970 3.5970 7.3904 7.3904 9.4387 9.4387 9.8539 9.8539 10.8683 10.8683 11.2416 11.2416 11.3344 11.3344 11.9060 11.9060 14.8752 14.8752 15.9304 15.9304 k = 0.4151 0.4502 0.1590 ( 2396 PWs) bands (ev): -43.1950 -43.1950 -20.7986 -20.7986 -18.7581 -18.7581 -18.6514 -18.6514 2.9263 2.9263 3.6412 3.6412 7.2721 7.2721 9.4349 9.4349 9.8140 9.8140 10.8246 10.8246 11.2482 11.2482 11.3931 11.3931 11.9576 11.9576 14.8788 14.8788 15.9133 15.9133 k = 0.4090 0.4598 0.1704 ( 2396 PWs) bands (ev): -43.1949 -43.1949 -20.7991 -20.7991 -18.7593 -18.7593 -18.6514 -18.6514 2.9598 2.9598 3.6883 3.6883 7.1484 7.1484 9.4374 9.4374 9.7740 9.7740 10.7795 10.7795 11.2529 11.2529 11.4516 11.4516 12.0111 12.0111 14.8630 14.8630 15.9120 15.9120 k = 0.4030 0.4694 0.1818 ( 2392 PWs) bands (ev): -43.1947 -43.1947 -20.7997 -20.7997 -18.7605 -18.7605 -18.6514 -18.6514 2.9955 2.9955 3.7381 3.7381 7.0203 7.0203 9.4452 9.4452 9.7343 9.7343 10.7334 10.7334 11.2567 11.2567 11.5091 11.5091 12.0666 12.0666 14.8295 14.8295 15.9241 15.9241 k = 0.3969 0.4790 0.1931 ( 2396 PWs) bands (ev): -43.1947 -43.1947 -20.8002 -20.8002 -18.7618 -18.7618 -18.6514 -18.6514 3.0335 3.0335 3.7907 3.7907 6.8889 6.8889 9.4574 9.4574 9.6950 9.6950 10.6867 10.6867 11.2595 11.2595 11.5658 11.5658 12.1240 12.1240 14.7817 14.7817 15.9451 15.9451 k = 0.3908 0.4886 0.2045 ( 2396 PWs) bands (ev): -43.1946 -43.1946 -20.8008 -20.8008 -18.7632 -18.7632 -18.6514 -18.6514 3.0737 3.0737 3.8458 3.8458 6.7550 6.7550 9.4730 9.4730 9.6565 9.6565 10.6396 10.6396 11.2614 11.2614 11.6216 11.6216 12.1831 12.1831 14.7236 14.7236 15.9701 15.9701 k = 0.3848 0.4982 0.2158 ( 2396 PWs) bands (ev): -43.1945 -43.1945 -20.8014 -20.8014 -18.7646 -18.7646 -18.6514 -18.6514 3.1162 3.1162 3.9032 3.9032 6.6194 6.6194 9.4910 9.4910 9.6190 9.6190 10.5924 10.5924 11.2622 11.2622 11.6767 11.6767 12.2441 12.2441 14.6587 14.6587 15.9014 15.9014 k = 0.3787 0.5078 0.2272 ( 2392 PWs) bands (ev): -43.1943 -43.1943 -20.8020 -20.8020 -18.7659 -18.7659 -18.6513 -18.6513 3.1610 3.1610 3.9629 3.9629 6.4830 6.4830 9.5101 9.5101 9.5833 9.5833 10.5452 10.5452 11.2618 11.2618 11.7315 11.7315 12.3069 12.3069 14.5901 14.5901 15.7784 15.7784 k = 0.3726 0.5174 0.2386 ( 2392 PWs) bands (ev): -43.1942 -43.1942 -20.8026 -20.8026 -18.7673 -18.7673 -18.6513 -18.6513 3.2080 3.2080 4.0244 4.0244 6.3464 6.3464 9.5244 9.5244 9.5547 9.5547 10.4984 10.4984 11.2600 11.2600 11.7860 11.7860 12.3714 12.3714 14.5201 14.5201 15.6534 15.6534 k = 0.3666 0.5270 0.2499 ( 2402 PWs) bands (ev): -43.1942 -43.1942 -20.8032 -20.8032 -18.7688 -18.7688 -18.6512 -18.6512 3.2573 3.2573 4.0874 4.0874 6.2104 6.2104 9.5060 9.5060 9.5604 9.5604 10.4520 10.4520 11.2565 11.2565 11.8404 11.8404 12.4378 12.4378 14.4505 14.4505 15.5275 15.5275 k = 0.3605 0.5367 0.2613 ( 2398 PWs) bands (ev): -43.1941 -43.1941 -20.8038 -20.8038 -18.7701 -18.7701 -18.6511 -18.6511 3.3087 3.3087 4.1514 4.1514 6.0758 6.0758 9.4750 9.4750 9.5799 9.5799 10.4063 10.4063 11.2513 11.2513 11.8951 11.8951 12.5058 12.5058 14.3826 14.3826 15.4015 15.4015 k = 0.3544 0.5463 0.2726 ( 2390 PWs) bands (ev): -43.1939 -43.1939 -20.8044 -20.8044 -18.7715 -18.7715 -18.6510 -18.6510 3.3624 3.3624 4.2157 4.2157 5.9436 5.9436 9.4441 9.4441 9.5998 9.5998 10.3613 10.3613 11.2441 11.2441 11.9501 11.9501 12.5757 12.5757 14.3177 14.3177 15.2760 15.2760 k = 0.3484 0.5559 0.2840 ( 2394 PWs) bands (ev): -43.1938 -43.1938 -20.8050 -20.8050 -18.7729 -18.7729 -18.6510 -18.6510 3.4183 3.4183 4.2793 4.2793 5.8150 5.8150 9.4146 9.4146 9.6183 9.6183 10.3173 10.3173 11.2347 11.2347 12.0056 12.0056 12.6474 12.6474 14.2564 14.2564 15.1514 15.1514 k = 0.3423 0.5655 0.2954 ( 2382 PWs) bands (ev): -43.1936 -43.1936 -20.8055 -20.8055 -18.7742 -18.7742 -18.6508 -18.6508 3.4765 3.4765 4.3405 4.3405 5.6919 5.6919 9.3868 9.3868 9.6346 9.6346 10.2742 10.2742 11.2230 11.2230 12.0618 12.0618 12.7209 12.7209 14.1997 14.1997 15.0282 15.0282 k = 0.3362 0.5751 0.3067 ( 2380 PWs) bands (ev): -43.1935 -43.1935 -20.8060 -20.8060 -18.7755 -18.7755 -18.6507 -18.6507 3.5368 3.5368 4.3970 4.3970 5.5767 5.5767 9.3607 9.3607 9.6480 9.6480 10.2323 10.2323 11.2088 11.2088 12.1188 12.1188 12.7963 12.7963 14.1479 14.1479 14.9066 14.9066 k = 0.3302 0.5847 0.3181 ( 2380 PWs) bands (ev): -43.1934 -43.1934 -20.8066 -20.8066 -18.7767 -18.7767 -18.6506 -18.6506 3.5992 3.5992 4.4449 4.4449 5.4734 5.4734 9.3367 9.3367 9.6579 9.6579 10.1915 10.1915 11.1920 11.1920 12.1767 12.1767 12.8735 12.8735 14.1016 14.1016 14.7870 14.7870 k = 0.3241 0.5943 0.3294 ( 2390 PWs) bands (ev): -43.1934 -43.1934 -20.8071 -20.8071 -18.7779 -18.7779 -18.6505 -18.6505 3.6638 3.6638 4.4784 4.4784 5.3879 5.3879 9.3146 9.3146 9.6639 9.6639 10.1519 10.1519 11.1724 11.1724 12.2355 12.2355 12.9525 12.9525 14.0609 14.0609 14.6695 14.6695 k = 0.3180 0.6039 0.3408 ( 2394 PWs) bands (ev): -43.1934 -43.1934 -20.8075 -20.8075 -18.7790 -18.7790 -18.6503 -18.6503 3.7306 3.7306 4.4902 4.4902 5.3277 5.3277 9.2947 9.2947 9.6654 9.6654 10.1137 10.1137 11.1500 11.1500 12.2953 12.2953 13.0334 13.0334 14.0261 14.0261 14.5545 14.5545 k = 0.3120 0.6135 0.3522 ( 2398 PWs) bands (ev): -43.1934 -43.1934 -20.8080 -20.8080 -18.7801 -18.7801 -18.6502 -18.6502 3.7995 3.7995 4.4734 4.4734 5.2996 5.2996 9.2770 9.2770 9.6621 9.6621 10.0767 10.0767 11.1247 11.1247 12.3558 12.3558 13.1161 13.1161 13.9972 13.9972 14.4420 14.4420 k = 0.3059 0.6231 0.3635 ( 2394 PWs) bands (ev): -43.1932 -43.1932 -20.8084 -20.8084 -18.7810 -18.7810 -18.6501 -18.6501 3.8705 3.8705 4.4268 4.4268 5.3050 5.3050 9.2615 9.2615 9.6539 9.6539 10.0411 10.0411 11.0965 11.0965 12.4169 12.4169 13.2008 13.2008 13.9742 13.9742 14.3324 14.3324 k = 0.2998 0.6327 0.3749 ( 2392 PWs) bands (ev): -43.1932 -43.1932 -20.8087 -20.8087 -18.7819 -18.7819 -18.6499 -18.6499 3.9435 3.9435 4.3551 4.3551 5.3391 5.3391 9.2484 9.2484 9.6404 9.6404 10.0068 10.0068 11.0654 11.0654 12.4780 12.4780 13.2873 13.2873 13.9569 13.9569 14.2257 14.2257 k = 0.2998 0.6327 0.3749 ( 2392 PWs) bands (ev): -43.1932 -43.1932 -20.8087 -20.8087 -18.7819 -18.7819 -18.6499 -18.6499 3.9435 3.9435 4.3551 4.3551 5.3391 5.3391 9.2484 9.2484 9.6404 9.6404 10.0068 10.0068 11.0654 11.0654 12.4780 12.4780 13.2873 13.2873 13.9569 13.9569 14.2257 14.2257 k = 0.2849 0.6288 0.3795 ( 2399 PWs) bands (ev): -43.1932 -43.1932 -20.8089 -20.8089 -18.7823 -18.7823 -18.6499 -18.6499 3.9680 3.9680 4.3225 4.3225 5.3660 5.3660 9.2436 9.2436 9.6288 9.6288 9.9937 9.9937 11.0521 11.0521 12.5029 12.5029 13.3202 13.3202 13.9480 13.9480 14.1931 14.1931 k = 0.2699 0.6248 0.3842 ( 2399 PWs) bands (ev): -43.1932 -43.1932 -20.8090 -20.8090 -18.7826 -18.7826 -18.6498 -18.6498 3.9817 3.9817 4.2913 4.2913 5.4086 5.4086 9.2388 9.2388 9.6060 9.6060 9.9831 9.9831 11.0391 11.0391 12.5272 12.5272 13.3458 13.3458 13.9320 13.9320 14.1827 14.1827 k = 0.2549 0.6209 0.3889 ( 2399 PWs) bands (ev): -43.1932 -43.1932 -20.8091 -20.8091 -18.7829 -18.7829 -18.6497 -18.6497 3.9861 3.9861 4.2609 4.2609 5.4656 5.4656 9.2341 9.2341 9.5708 9.5708 9.9763 9.9763 11.0269 11.0269 12.5511 12.5511 13.3633 13.3633 13.9113 13.9113 14.1920 14.1920 k = 0.2399 0.6169 0.3936 ( 2395 PWs) bands (ev): -43.1931 -43.1931 -20.8092 -20.8092 -18.7832 -18.7832 -18.6497 -18.6497 3.9833 3.9833 4.2308 4.2308 5.5355 5.5355 9.2295 9.2295 9.5231 9.5231 9.9737 9.9737 11.0157 11.0157 12.5743 12.5743 13.3721 13.3721 13.8899 13.8899 14.2163 14.2163 k = 0.2249 0.6130 0.3982 ( 2398 PWs) bands (ev): -43.1931 -43.1931 -20.8093 -20.8093 -18.7834 -18.7834 -18.6496 -18.6496 3.9754 3.9754 4.2008 4.2008 5.6162 5.6162 9.2248 9.2248 9.4636 9.4636 9.9749 9.9749 11.0056 11.0056 12.5970 12.5970 13.3727 13.3727 13.8712 13.8712 14.2513 14.2513 k = 0.2099 0.6090 0.4029 ( 2396 PWs) bands (ev): -43.1931 -43.1931 -20.8094 -20.8094 -18.7837 -18.7837 -18.6495 -18.6495 3.9642 3.9642 4.1710 4.1710 5.7057 5.7057 9.2202 9.2202 9.3937 9.3937 9.9790 9.9790 10.9968 10.9968 12.6192 12.6192 13.3657 13.3657 13.8568 13.8568 14.2941 14.2941 k = 0.1949 0.6051 0.4076 ( 2398 PWs) bands (ev): -43.1931 -43.1931 -20.8095 -20.8095 -18.7839 -18.7839 -18.6494 -18.6494 3.9511 3.9511 4.1414 4.1414 5.8023 5.8023 9.2155 9.2155 9.3149 9.3149 9.9852 9.9852 10.9893 10.9893 12.6410 12.6410 13.3523 13.3523 13.8474 13.8474 14.3419 14.3419 k = 0.1799 0.6011 0.4122 ( 2401 PWs) bands (ev): -43.1931 -43.1931 -20.8096 -20.8096 -18.7842 -18.7842 -18.6493 -18.6493 3.9372 3.9372 4.1125 4.1125 5.9044 5.9044 9.2088 9.2088 9.2307 9.2307 9.9927 9.9927 10.9831 10.9831 12.6625 12.6625 13.3340 13.3340 13.8431 13.8431 14.3921 14.3921 k = 0.1649 0.5972 0.4169 ( 2403 PWs) bands (ev): -43.1931 -43.1931 -20.8097 -20.8097 -18.7844 -18.7844 -18.6493 -18.6493 3.9232 3.9232 4.0844 4.0844 6.0105 6.0105 9.1346 9.1346 9.2081 9.2081 10.0010 10.0010 10.9782 10.9782 12.6836 12.6836 13.3120 13.3120 13.8436 13.8436 14.4409 14.4409 k = 0.1499 0.5932 0.4216 ( 2403 PWs) bands (ev): -43.1931 -43.1931 -20.8097 -20.8097 -18.7846 -18.7846 -18.6492 -18.6492 3.9097 3.9097 4.0577 4.0577 6.1194 6.1194 9.0377 9.0377 9.2036 9.2036 10.0096 10.0096 10.9744 10.9744 12.7044 12.7044 13.2877 13.2877 13.8486 13.8486 14.4825 14.4825 k = 0.1349 0.5893 0.4262 ( 2403 PWs) bands (ev): -43.1931 -43.1931 -20.8098 -20.8098 -18.7847 -18.7847 -18.6491 -18.6491 3.8970 3.8970 4.0324 4.0324 6.2297 6.2297 8.9371 8.9371 9.1996 9.1996 10.0180 10.0180 10.9717 10.9717 12.7248 12.7248 13.2624 13.2624 13.8580 13.8580 14.5087 14.5087 k = 0.1199 0.5853 0.4309 ( 2403 PWs) bands (ev): -43.1931 -43.1931 -20.8098 -20.8098 -18.7849 -18.7849 -18.6491 -18.6491 3.8854 3.8854 4.0090 4.0090 6.3403 6.3403 8.8347 8.8347 9.1959 9.1959 10.0261 10.0261 10.9699 10.9699 12.7447 12.7447 13.2370 13.2370 13.8713 13.8713 14.5113 14.5113 k = 0.1049 0.5814 0.4356 ( 2405 PWs) bands (ev): -43.1931 -43.1931 -20.8099 -20.8099 -18.7850 -18.7850 -18.6490 -18.6490 3.8752 3.8752 3.9876 3.9876 6.4495 6.4495 8.7319 8.7319 9.1925 9.1925 10.0337 10.0337 10.9689 10.9689 12.7637 12.7637 13.2126 13.2126 13.8885 13.8885 14.4886 14.4886 k = 0.0900 0.5775 0.4402 ( 2403 PWs) bands (ev): -43.1931 -43.1931 -20.8099 -20.8099 -18.7851 -18.7851 -18.6489 -18.6489 3.8664 3.8664 3.9684 3.9684 6.5557 6.5557 8.6309 8.6309 9.1895 9.1895 10.0405 10.0405 10.9685 10.9685 12.7816 12.7816 13.1900 13.1900 13.9095 13.9095 14.4472 14.4472 k = 0.0750 0.5735 0.4449 ( 2410 PWs) bands (ev): -43.1932 -43.1932 -20.8100 -20.8100 -18.7852 -18.7852 -18.6489 -18.6489 3.8590 3.8590 3.9517 3.9517 6.6567 6.6567 8.5339 8.5339 9.1868 9.1868 10.0465 10.0465 10.9684 10.9684 12.7978 12.7978 13.1697 13.1697 13.9341 13.9341 14.3955 14.3955 k = 0.0600 0.5696 0.4496 ( 2406 PWs) bands (ev): -43.1931 -43.1931 -20.8100 -20.8100 -18.7853 -18.7853 -18.6489 -18.6489 3.8532 3.8532 3.9376 3.9376 6.7496 6.7496 8.4442 8.4442 9.1846 9.1846 10.0515 10.0515 10.9687 10.9687 12.8121 12.8121 13.1523 13.1523 13.9625 13.9625 14.3397 14.3397 k = 0.0450 0.5656 0.4542 ( 2411 PWs) bands (ev): -43.1932 -43.1932 -20.8100 -20.8100 -18.7854 -18.7854 -18.6488 -18.6488 3.8488 3.8488 3.9264 3.9264 6.8304 6.8304 8.3656 8.3656 9.1829 9.1829 10.0554 10.0554 10.9690 10.9690 12.8238 12.8238 13.1384 13.1384 13.9944 13.9944 14.2836 14.2836 k = 0.0300 0.5617 0.4589 ( 2407 PWs) bands (ev): -43.1931 -43.1931 -20.8100 -20.8100 -18.7854 -18.7854 -18.6488 -18.6488 3.8458 3.8458 3.9182 3.9182 6.8942 6.8942 8.3033 8.3033 9.1816 9.1816 10.0583 10.0583 10.9693 10.9693 12.8325 12.8325 13.1282 13.1282 14.0296 14.0296 14.2298 14.2298 k = 0.0150 0.5577 0.4636 ( 2402 PWs) bands (ev): -43.1930 -43.1930 -20.8100 -20.8100 -18.7854 -18.7854 -18.6488 -18.6488 3.8441 3.8441 3.9131 3.9131 6.9356 6.9356 8.2628 8.2628 9.1808 9.1808 10.0600 10.0600 10.9696 10.9696 12.8380 12.8380 13.1219 13.1219 14.0660 14.0660 14.1819 14.1819 k = 0.0000 0.5538 0.4682 ( 2398 PWs) bands (ev): -43.1930 -43.1930 -20.8100 -20.8100 -18.7854 -18.7854 -18.6488 -18.6488 3.8435 3.8435 3.9115 3.9115 6.9501 6.9501 8.2486 8.2486 9.1806 9.1806 10.0606 10.0606 10.9697 10.9697 12.8398 12.8398 13.1198 13.1198 14.0885 14.0885 14.1554 14.1554 k = 0.0000 0.5538 0.4682 ( 2398 PWs) bands (ev): -43.1930 -43.1930 -20.8100 -20.8100 -18.7854 -18.7854 -18.6488 -18.6488 3.8435 3.8435 3.9115 3.9115 6.9501 6.9501 8.2486 8.2486 9.1806 9.1806 10.0606 10.0606 10.9697 10.9697 12.8398 12.8398 13.1198 13.1198 14.0885 14.0885 14.1554 14.1554 k = 0.0061 0.5441 0.4797 ( 2402 PWs) bands (ev): -43.1930 -43.1930 -20.8100 -20.8100 -18.7855 -18.7855 -18.6488 -18.6488 3.8444 3.8444 3.9131 3.9131 6.9519 6.9519 8.2457 8.2457 9.1802 9.1802 10.0592 10.0592 10.9669 10.9669 12.8400 12.8400 13.1055 13.1055 14.0890 14.0890 14.1639 14.1639 k = 0.0122 0.5345 0.4911 ( 2406 PWs) bands (ev): -43.1931 -43.1931 -20.8101 -20.8101 -18.7856 -18.7856 -18.6489 -18.6489 3.8471 3.8471 3.9179 3.9179 6.9573 6.9573 8.2368 8.2368 9.1790 9.1790 10.0549 10.0549 10.9588 10.9588 12.8406 12.8406 13.0647 13.0647 14.0906 14.0906 14.1875 14.1875 k = 0.0183 0.5248 0.5025 ( 2404 PWs) bands (ev): -43.1930 -43.1930 -20.8102 -20.8102 -18.7857 -18.7857 -18.6489 -18.6489 3.8516 3.8516 3.9259 3.9259 6.9663 6.9663 8.2222 8.2222 9.1771 9.1771 10.0475 10.0475 10.9454 10.9454 12.8415 12.8415 13.0023 13.0023 14.0933 14.0933 14.2211 14.2211 k = 0.0244 0.5151 0.5139 ( 2406 PWs) bands (ev): -43.1930 -43.1930 -20.8103 -20.8103 -18.7860 -18.7860 -18.6490 -18.6490 3.8579 3.8579 3.9371 3.9371 6.9789 6.9789 8.2019 8.2019 9.1745 9.1745 10.0369 10.0369 10.9270 10.9270 12.8426 12.8426 12.9244 12.9244 14.0968 14.0968 14.2593 14.2593 k = 0.0305 0.5055 0.5253 ( 2404 PWs) bands (ev): -43.1930 -43.1930 -20.8105 -20.8105 -18.7863 -18.7863 -18.6492 -18.6492 3.8660 3.8660 3.9515 3.9515 6.9951 6.9951 8.1760 8.1760 9.1712 9.1712 10.0226 10.0226 10.9039 10.9039 12.8312 12.8312 12.8492 12.8492 14.1009 14.1009 14.2970 14.2970 k = 0.0366 0.4958 0.5368 ( 2404 PWs) bands (ev): -43.1929 -43.1929 -20.8107 -20.8107 -18.7866 -18.7866 -18.6493 -18.6493 3.8759 3.8759 3.9690 3.9690 7.0148 7.0148 8.1447 8.1447 9.1672 9.1672 10.0043 10.0043 10.8764 10.8764 12.7402 12.7402 12.8480 12.8480 14.1055 14.1055 14.3307 14.3307 k = 0.0427 0.4862 0.5482 ( 2410 PWs) bands (ev): -43.1930 -43.1930 -20.8109 -20.8109 -18.7870 -18.7870 -18.6495 -18.6495 3.8875 3.8875 3.9897 3.9897 7.0380 7.0380 8.1083 8.1083 9.1627 9.1627 9.9814 9.9814 10.8451 10.8451 12.6436 12.6436 12.8503 12.8503 14.1102 14.1102 14.3578 14.3578 k = 0.0488 0.4765 0.5596 ( 2410 PWs) bands (ev): -43.1929 -43.1929 -20.8112 -20.8112 -18.7875 -18.7875 -18.6498 -18.6498 3.9010 3.9010 4.0135 4.0135 7.0646 7.0646 8.0671 8.0671 9.1577 9.1577 9.9534 9.9534 10.8103 10.8103 12.5473 12.5473 12.8532 12.8532 14.1148 14.1148 14.3766 14.3766 k = 0.0549 0.4669 0.5710 ( 2410 PWs) bands (ev): -43.1929 -43.1929 -20.8115 -20.8115 -18.7880 -18.7880 -18.6500 -18.6500 3.9161 3.9161 4.0405 4.0405 7.0946 7.0946 8.0213 8.0213 9.1521 9.1521 9.9197 9.9197 10.7725 10.7725 12.4538 12.4538 12.8566 12.8566 14.1193 14.1193 14.3863 14.3863 k = 0.0610 0.4572 0.5824 ( 2406 PWs) bands (ev): -43.1927 -43.1927 -20.8119 -20.8119 -18.7886 -18.7886 -18.6502 -18.6502 3.9331 3.9331 4.0705 4.0705 7.1279 7.1279 7.9712 7.9712 9.1461 9.1461 9.8797 9.8797 10.7322 10.7322 12.3649 12.3649 12.8603 12.8603 14.1235 14.1235 14.3864 14.3864 k = 0.0671 0.4476 0.5939 ( 2402 PWs) bands (ev): -43.1926 -43.1926 -20.8122 -20.8122 -18.7892 -18.7892 -18.6505 -18.6505 3.9517 3.9517 4.1036 4.1036 7.1644 7.1644 7.9172 7.9172 9.1397 9.1397 9.8329 9.8329 10.6898 10.6898 12.2822 12.2822 12.8643 12.8643 14.1276 14.1276 14.3769 14.3769 k = 0.0732 0.4379 0.6053 ( 2404 PWs) bands (ev): -43.1926 -43.1926 -20.8126 -20.8126 -18.7899 -18.7899 -18.6508 -18.6508 3.9720 3.9720 4.1398 4.1398 7.2041 7.2041 7.8596 7.8596 9.1329 9.1329 9.7789 9.7789 10.6458 10.6458 12.2069 12.2069 12.8686 12.8686 14.1314 14.1314 14.3579 14.3579 k = 0.0793 0.4282 0.6167 ( 2402 PWs) bands (ev): -43.1925 -43.1925 -20.8130 -20.8130 -18.7907 -18.7907 -18.6510 -18.6510 3.9940 3.9940 4.1789 4.1789 7.2467 7.2467 7.7987 7.7987 9.1257 9.1257 9.7173 9.7173 10.6006 10.6006 12.1400 12.1400 12.8732 12.8732 14.1352 14.1352 14.3298 14.3298 k = 0.0854 0.4186 0.6281 ( 2404 PWs) bands (ev): -43.1924 -43.1924 -20.8135 -20.8135 -18.7915 -18.7915 -18.6513 -18.6513 4.0177 4.0177 4.2211 4.2211 7.2923 7.2923 7.7350 7.7350 9.1181 9.1181 9.6482 9.6482 10.5546 10.5546 12.0820 12.0820 12.8781 12.8781 14.1389 14.1389 14.2932 14.2932 k = 0.0915 0.4089 0.6395 ( 2404 PWs) bands (ev): -43.1923 -43.1923 -20.8139 -20.8139 -18.7923 -18.7923 -18.6516 -18.6516 4.0429 4.0429 4.2662 4.2662 7.3405 7.3405 7.6688 7.6688 9.1101 9.1101 9.5717 9.5717 10.5082 10.5082 12.0332 12.0332 12.8833 12.8833 14.1423 14.1423 14.2488 14.2488 k = 0.0976 0.3993 0.6510 ( 2402 PWs) bands (ev): -43.1922 -43.1922 -20.8144 -20.8144 -18.7932 -18.7932 -18.6519 -18.6519 4.0698 4.0698 4.3143 4.3143 7.3912 7.3912 7.6004 7.6004 9.1019 9.1019 9.4882 9.4882 10.4616 10.4616 11.9935 11.9935 12.8886 12.8886 14.1437 14.1437 14.1994 14.1994 k = 0.1037 0.3896 0.6624 ( 2400 PWs) bands (ev): -43.1921 -43.1921 -20.8149 -20.8149 -18.7940 -18.7940 -18.6522 -18.6522 4.0982 4.0982 4.3652 4.3652 7.4439 7.4439 7.5303 7.5303 9.0932 9.0932 9.3984 9.3984 10.4153 10.4153 11.9628 11.9628 12.8941 12.8941 14.1220 14.1220 14.1666 14.1666 k = 0.1098 0.3800 0.6738 ( 2404 PWs) bands (ev): -43.1920 -43.1920 -20.8154 -20.8154 -18.7950 -18.7950 -18.6524 -18.6524 4.1280 4.1280 4.4191 4.4191 7.4570 7.4570 7.5002 7.5002 9.0842 9.0842 9.3030 9.3030 10.3695 10.3695 11.9403 11.9403 12.8998 12.8998 14.0618 14.0618 14.1668 14.1668 k = 0.1159 0.3703 0.6852 ( 2406 PWs) bands (ev): -43.1920 -43.1920 -20.8159 -20.8159 -18.7959 -18.7959 -18.6527 -18.6527 4.1594 4.1594 4.4757 4.4757 7.3846 7.3846 7.5559 7.5559 9.0745 9.0745 9.2034 9.2034 10.3244 10.3244 11.9257 11.9257 12.9056 12.9056 13.9908 13.9908 14.1732 14.1732 k = 0.1220 0.3606 0.6966 ( 2410 PWs) bands (ev): -43.1919 -43.1919 -20.8164 -20.8164 -18.7969 -18.7969 -18.6530 -18.6530 4.1920 4.1920 4.5351 4.5351 7.3107 7.3107 7.6132 7.6132 9.0611 9.0611 9.1038 9.1038 10.2803 10.2803 11.9179 11.9179 12.9115 12.9115 13.9140 13.9140 14.1819 14.1819 k = 0.1280 0.3510 0.7081 ( 2412 PWs) bands (ev): -43.1919 -43.1919 -20.8169 -20.8169 -18.7979 -18.7979 -18.6532 -18.6532 4.2260 4.2260 4.5973 4.5973 7.2361 7.2361 7.6707 7.6707 8.9889 8.9889 9.0607 9.0607 10.2374 10.2374 11.9163 11.9163 12.9174 12.9174 13.8328 13.8328 14.1923 14.1923 k = 0.1341 0.3413 0.7195 ( 2416 PWs) bands (ev): -43.1918 -43.1918 -20.8175 -20.8175 -18.7989 -18.7989 -18.6535 -18.6535 4.2613 4.2613 4.6622 4.6622 7.1611 7.1611 7.7272 7.7272 8.8843 8.8843 9.0494 9.0494 10.1958 10.1958 11.9199 11.9199 12.9233 12.9233 13.7484 13.7484 14.2044 14.2044 k = 0.1402 0.3317 0.7309 ( 2416 PWs) bands (ev): -43.1917 -43.1917 -20.8180 -20.8180 -18.7999 -18.7999 -18.6537 -18.6537 4.2977 4.2977 4.7297 4.7297 7.0860 7.0860 7.7808 7.7808 8.7802 8.7802 9.0393 9.0393 10.1557 10.1557 11.9278 11.9278 12.9292 12.9292 13.6619 13.6619 14.2184 14.2184 k = 0.1463 0.3220 0.7423 ( 2422 PWs) bands (ev): -43.1917 -43.1917 -20.8185 -20.8185 -18.8008 -18.8008 -18.6539 -18.6539 4.3351 4.3351 4.7998 4.7998 7.0111 7.0111 7.8286 7.8286 8.6809 8.6809 9.0295 9.0295 10.1172 10.1172 11.9390 11.9390 12.9351 12.9351 13.5743 13.5743 14.2343 14.2343 k = 0.1524 0.3124 0.7537 ( 2422 PWs) bands (ev): -43.1916 -43.1916 -20.8190 -20.8190 -18.8018 -18.8018 -18.6541 -18.6541 4.3734 4.3734 4.8725 4.8725 6.9368 6.9368 7.8656 7.8656 8.5919 8.5919 9.0199 9.0199 10.0805 10.0805 11.9525 11.9525 12.9408 12.9408 13.4870 13.4870 14.2521 14.2521 k = 0.1585 0.3027 0.7652 ( 2422 PWs) bands (ev): -43.1915 -43.1915 -20.8195 -20.8195 -18.8027 -18.8027 -18.6543 -18.6543 4.4126 4.4126 4.9477 4.9477 6.8632 6.8632 7.8842 7.8842 8.5210 8.5210 9.0103 9.0103 10.0457 10.0457 11.9671 11.9671 12.9463 12.9463 13.4014 13.4014 14.2718 14.2718 k = 0.1646 0.2931 0.7766 ( 2424 PWs) bands (ev): -43.1915 -43.1915 -20.8199 -20.8199 -18.8037 -18.8037 -18.6545 -18.6545 4.4523 4.4523 5.0253 5.0253 6.7906 6.7906 7.8751 7.8751 8.4775 8.4775 9.0010 9.0010 10.0128 10.0128 11.9817 11.9817 12.9514 12.9514 13.3188 13.3188 14.2935 14.2935 k = 0.1707 0.2834 0.7880 ( 2422 PWs) bands (ev): -43.1913 -43.1913 -20.8204 -20.8204 -18.8046 -18.8046 -18.6546 -18.6546 4.4925 4.4925 5.1052 5.1052 6.7195 6.7195 7.8334 7.8334 8.4664 8.4664 8.9919 8.9919 9.9820 9.9820 11.9949 11.9949 12.9560 12.9560 13.2413 13.2413 14.3170 14.3170 k = 0.1768 0.2737 0.7994 ( 2422 PWs) bands (ev): -43.1913 -43.1913 -20.8208 -20.8208 -18.8054 -18.8054 -18.6548 -18.6548 4.5329 4.5329 5.1874 5.1874 6.6501 6.6501 7.7633 7.7633 8.4832 8.4832 8.9832 8.9832 9.9532 9.9532 12.0053 12.0053 12.9596 12.9596 13.1707 13.1707 14.3424 14.3424 k = 0.1829 0.2641 0.8108 ( 2424 PWs) bands (ev): -43.1912 -43.1912 -20.8212 -20.8212 -18.8062 -18.8062 -18.6549 -18.6549 4.5732 4.5732 5.2717 5.2717 6.5828 6.5828 7.6741 7.6741 8.5186 8.5186 8.9749 8.9749 9.9266 9.9266 12.0115 12.0115 12.9612 12.9612 13.1098 13.1098 14.3694 14.3694 k = 0.1890 0.2544 0.8223 ( 2428 PWs) bands (ev): -43.1912 -43.1912 -20.8216 -20.8216 -18.8070 -18.8070 -18.6550 -18.6550 4.6131 4.6131 5.3580 5.3580 6.5180 6.5180 7.5734 7.5734 8.5645 8.5645 8.9671 8.9671 9.9023 9.9023 12.0124 12.0124 12.9586 12.9586 13.0622 13.0622 14.3978 14.3978 k = 0.1951 0.2448 0.8337 ( 2428 PWs) bands (ev): -43.1911 -43.1911 -20.8219 -20.8219 -18.8077 -18.8077 -18.6551 -18.6551 4.6521 4.6521 5.4461 5.4461 6.4561 6.4561 7.4665 7.4665 8.6154 8.6154 8.9599 8.9599 9.8801 9.8801 12.0071 12.0071 12.9481 12.9481 13.0327 13.0327 14.4273 14.4273 k = 0.2012 0.2351 0.8451 ( 2436 PWs) bands (ev): -43.1912 -43.1912 -20.8223 -20.8223 -18.8083 -18.8083 -18.6552 -18.6552 4.6900 4.6900 5.5358 5.5358 6.3978 6.3978 7.3566 7.3566 8.6675 8.6675 8.9535 8.9535 9.8602 9.8602 11.9954 11.9954 12.9306 12.9306 13.0206 13.0206 14.4576 14.4576 k = 0.2073 0.2255 0.8565 ( 2438 PWs) bands (ev): -43.1912 -43.1912 -20.8226 -20.8226 -18.8089 -18.8089 -18.6553 -18.6553 4.7260 4.7260 5.6268 5.6268 6.3436 6.3436 7.2457 7.2457 8.7183 8.7183 8.9478 8.9478 9.8427 9.8427 11.9780 11.9780 12.9135 12.9135 13.0184 13.0184 14.4880 14.4880 k = 0.2134 0.2158 0.8679 ( 2440 PWs) bands (ev): -43.1911 -43.1911 -20.8228 -20.8228 -18.8094 -18.8094 -18.6553 -18.6553 4.7596 4.7596 5.7184 5.7184 6.2942 6.2942 7.1355 7.1355 8.7658 8.7658 8.9432 8.9432 9.8274 9.8274 11.9566 11.9566 12.9009 12.9009 13.0203 13.0203 14.5179 14.5179 k = 0.2195 0.2061 0.8794 ( 2440 PWs) bands (ev): -43.1911 -43.1911 -20.8230 -20.8230 -18.8099 -18.8099 -18.6554 -18.6554 4.7900 4.7900 5.8098 5.8098 6.2504 6.2504 7.0274 7.0274 8.8082 8.8082 8.9400 8.9400 9.8145 9.8145 11.9331 11.9331 12.8936 12.8936 13.0238 13.0238 14.5465 14.5465 k = 0.2256 0.1965 0.8908 ( 2436 PWs) bands (ev): -43.1910 -43.1910 -20.8232 -20.8232 -18.8102 -18.8102 -18.6554 -18.6554 4.8165 4.8165 5.8995 5.8995 6.2131 6.2131 6.9235 6.9235 8.8436 8.8436 8.9385 8.9385 9.8039 9.8039 11.9100 11.9100 12.8903 12.8903 13.0279 13.0279 14.5726 14.5726 k = 0.2317 0.1868 0.9022 ( 2438 PWs) bands (ev): -43.1910 -43.1910 -20.8234 -20.8234 -18.8105 -18.8105 -18.6554 -18.6554 4.8382 4.8382 5.9848 5.9848 6.1833 6.1833 6.8266 6.8266 8.8702 8.8702 8.9397 8.9397 9.7957 9.7957 11.8893 11.8893 12.8895 12.8895 13.0319 13.0319 14.5947 14.5947 k = 0.2378 0.1772 0.9136 ( 2432 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8107 -18.8107 -18.6555 -18.6555 4.8544 4.8544 6.0595 6.0595 6.1625 6.1625 6.7421 6.7421 8.8868 8.8868 8.9436 8.9436 9.7898 9.7898 11.8731 11.8731 12.8900 12.8900 13.0352 13.0352 14.6115 14.6115 k = 0.2439 0.1675 0.9250 ( 2432 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8108 -18.8108 -18.6555 -18.6555 4.8644 4.8644 6.1101 6.1101 6.1552 6.1552 6.6803 6.6803 8.8947 8.8947 8.9483 8.9483 9.7862 9.7862 11.8628 11.8628 12.8907 12.8907 13.0374 13.0374 14.6205 14.6205 k = 0.2500 0.1579 0.9365 ( 2432 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8678 4.8678 6.1226 6.1226 6.1600 6.1600 6.6566 6.6566 8.8969 8.8969 8.9504 8.9504 9.7851 9.7851 11.8592 11.8592 12.8910 12.8910 13.0382 13.0382 14.6220 14.6220 k = 0.2500 0.1579 0.9365 ( 2432 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8678 4.8678 6.1226 6.1226 6.1600 6.1600 6.6566 6.6566 8.8969 8.8969 8.9504 8.9504 9.7851 9.7851 11.8592 11.8592 12.8910 12.8910 13.0382 13.0382 14.6220 14.6220 k = 0.2614 0.1650 0.9280 ( 2432 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8664 4.8664 6.1200 6.1200 6.1573 6.1573 6.6661 6.6661 8.8872 8.8872 8.9590 8.9590 9.7773 9.7773 11.8700 11.8700 12.8910 12.8910 13.0379 13.0379 14.6008 14.6008 k = 0.2727 0.1722 0.9195 ( 2434 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8108 -18.8108 -18.6555 -18.6555 4.8625 4.8625 6.1097 6.1097 6.1513 6.1513 6.6943 6.6943 8.8658 8.8658 8.9768 8.9768 9.7546 9.7546 11.9016 11.9016 12.8917 12.8917 13.0369 13.0369 14.5738 14.5738 k = 0.2841 0.1794 0.9110 ( 2438 PWs) bands (ev): -43.1910 -43.1910 -20.8235 -20.8235 -18.8108 -18.8108 -18.6555 -18.6555 4.8570 4.8570 6.0884 6.0884 6.1469 6.1469 6.7391 6.7391 8.8381 8.8381 8.9978 8.9978 9.7194 9.7194 11.9522 11.9522 12.8937 12.8937 13.0347 13.0347 14.5485 14.5485 k = 0.2955 0.1866 0.9025 ( 2436 PWs) bands (ev): -43.1910 -43.1910 -20.8234 -20.8234 -18.8107 -18.8107 -18.6555 -18.6555 4.8504 4.8504 6.0574 6.0574 6.1454 6.1454 6.7972 6.7972 8.8051 8.8051 9.0200 9.0200 9.6746 9.6746 12.0190 12.0190 12.8977 12.8977 13.0309 13.0309 14.5258 14.5258 k = 0.3068 0.1937 0.8940 ( 2434 PWs) bands (ev): -43.1909 -43.1909 -20.8234 -20.8234 -18.8106 -18.8106 -18.6555 -18.6555 4.8433 4.8433 6.0203 6.0203 6.1456 6.1456 6.8655 6.8655 8.7667 8.7667 9.0429 9.0429 9.6235 9.6235 12.0989 12.0989 12.9047 12.9047 13.0252 13.0252 14.5063 14.5063 k = 0.3182 0.2009 0.8855 ( 2432 PWs) bands (ev): -43.1909 -43.1909 -20.8233 -20.8233 -18.8105 -18.8105 -18.6554 -18.6554 4.8360 4.8360 5.9794 5.9794 6.1469 6.1469 6.9418 6.9418 8.7224 8.7224 9.0661 9.0661 9.5693 9.5693 12.1885 12.1885 12.9154 12.9154 13.0173 13.0173 14.4904 14.4904 k = 0.3295 0.2081 0.8771 ( 2435 PWs) bands (ev): -43.1910 -43.1910 -20.8233 -20.8233 -18.8103 -18.8103 -18.6554 -18.6554 4.8291 4.8291 5.9365 5.9365 6.1490 6.1490 7.0241 7.0241 8.6719 8.6719 9.0897 9.0897 9.5149 9.5149 12.2841 12.2841 12.9312 12.9312 13.0069 13.0069 14.4788 14.4788 k = 0.3409 0.2153 0.8686 ( 2432 PWs) bands (ev): -43.1910 -43.1910 -20.8232 -20.8232 -18.8102 -18.8102 -18.6554 -18.6554 4.8228 4.8228 5.8923 5.8923 6.1518 6.1518 7.1111 7.1111 8.6150 8.6150 9.1134 9.1134 9.4625 9.4625 12.3821 12.3821 12.9531 12.9531 12.9940 12.9940 14.4716 14.4716 k = 0.3523 0.2224 0.8601 ( 2432 PWs) bands (ev): -43.1910 -43.1910 -20.8231 -20.8231 -18.8100 -18.8100 -18.6554 -18.6554 4.8173 4.8173 5.8474 5.8474 6.1550 6.1550 7.2017 7.2017 8.5521 8.5521 9.1371 9.1371 9.4137 9.4137 12.4781 12.4781 12.9721 12.9721 12.9900 12.9900 14.4693 14.4693 k = 0.3636 0.2296 0.8516 ( 2425 PWs) bands (ev): -43.1909 -43.1909 -20.8230 -20.8230 -18.8098 -18.8098 -18.6554 -18.6554 4.8129 4.8129 5.8020 5.8020 6.1589 6.1589 7.2951 7.2951 8.4840 8.4840 9.1608 9.1608 9.3695 9.3695 12.5676 12.5676 12.9560 12.9560 13.0291 13.0291 14.4718 14.4718 k = 0.3750 0.2368 0.8431 ( 2424 PWs) bands (ev): -43.1909 -43.1909 -20.8229 -20.8229 -18.8095 -18.8095 -18.6554 -18.6554 4.8098 4.8098 5.7563 5.7563 6.1632 6.1632 7.3901 7.3901 8.4120 8.4120 9.1842 9.1842 9.3302 9.3302 12.6466 12.6466 12.9341 12.9341 13.0839 13.0839 14.4793 14.4793 k = 0.3864 0.2440 0.8346 ( 2422 PWs) bands (ev): -43.1909 -43.1909 -20.8227 -20.8227 -18.8093 -18.8093 -18.6554 -18.6554 4.8082 4.8082 5.7102 5.7102 6.1680 6.1680 7.4856 7.4856 8.3382 8.3382 9.2073 9.2073 9.2959 9.2959 12.7129 12.7129 12.9096 12.9096 13.1509 13.1509 14.4915 14.4915 k = 0.3977 0.2511 0.8261 ( 2420 PWs) bands (ev): -43.1909 -43.1909 -20.8226 -20.8226 -18.8090 -18.8090 -18.6553 -18.6553 4.8080 4.8080 5.6637 5.6637 6.1733 6.1733 7.5798 7.5798 8.2652 8.2652 9.2293 9.2293 9.2670 9.2670 12.7669 12.7669 12.8834 12.8834 13.2257 13.2257 14.5081 14.5081 k = 0.4091 0.2583 0.8177 ( 2416 PWs) bands (ev): -43.1909 -43.1909 -20.8225 -20.8225 -18.8087 -18.8087 -18.6553 -18.6553 4.8095 4.8095 5.6164 5.6164 6.1791 6.1791 7.6690 7.6690 8.1976 8.1976 9.2362 9.2362 9.2572 9.2572 12.8076 12.8076 12.8600 12.8600 13.3016 13.3016 14.5286 14.5286 k = 0.4205 0.2655 0.8092 ( 2419 PWs) bands (ev): -43.1909 -43.1909 -20.8223 -20.8223 -18.8083 -18.8083 -18.6553 -18.6553 4.8127 4.8127 5.5684 5.5684 6.1853 6.1853 7.7453 7.7453 8.1442 8.1442 9.2172 9.2172 9.2766 9.2766 12.8092 12.8092 12.8682 12.8682 13.3711 13.3711 14.5525 14.5525 k = 0.4318 0.2727 0.8007 ( 2415 PWs) bands (ev): -43.1909 -43.1909 -20.8221 -20.8221 -18.8080 -18.8080 -18.6553 -18.6553 4.8175 4.8175 5.5192 5.5192 6.1921 6.1921 7.7915 7.7915 8.1228 8.1228 9.2001 9.2001 9.2974 9.2974 12.7813 12.7813 12.9015 12.9015 13.4272 13.4272 14.5796 14.5796 k = 0.4432 0.2799 0.7922 ( 2418 PWs) bands (ev): -43.1910 -43.1910 -20.8220 -20.8220 -18.8076 -18.8076 -18.6553 -18.6553 4.8239 4.8239 5.4688 5.4688 6.1994 6.1994 7.7908 7.7908 8.1508 8.1508 9.1869 9.1869 9.3175 9.3175 12.7492 12.7492 12.9362 12.9362 13.4647 13.4647 14.6106 14.6106 k = 0.4545 0.2870 0.7837 ( 2423 PWs) bands (ev): -43.1911 -43.1911 -20.8218 -20.8218 -18.8073 -18.8073 -18.6553 -18.6553 4.8319 4.8319 5.4169 5.4169 6.2072 6.2072 7.7543 7.7543 8.2172 8.2172 9.1778 9.1778 9.3366 9.3366 12.7161 12.7161 12.9701 12.9701 13.4810 13.4810 14.6460 14.6460 k = 0.4659 0.2942 0.7752 ( 2423 PWs) bands (ev): -43.1911 -43.1911 -20.8216 -20.8216 -18.8068 -18.8068 -18.6553 -18.6553 4.8413 4.8413 5.3635 5.3635 6.2156 6.2156 7.7033 7.7033 8.3006 8.3006 9.1737 9.1737 9.3545 9.3545 12.6831 12.6831 13.0024 13.0024 13.4768 13.4768 14.6856 14.6856 k = 0.4773 0.3014 0.7667 ( 2422 PWs) bands (ev): -43.1912 -43.1912 -20.8214 -20.8214 -18.8064 -18.8064 -18.6552 -18.6552 4.8515 4.8515 5.3087 5.3087 6.2245 6.2245 7.6490 7.6490 8.3890 8.3890 9.1757 9.1757 9.3710 9.3710 12.6507 12.6507 13.0318 13.0318 13.4558 13.4558 14.7279 14.7279 k = 0.4886 0.3086 0.7583 ( 2420 PWs) bands (ev): -43.1912 -43.1912 -20.8212 -20.8212 -18.8060 -18.8060 -18.6552 -18.6552 4.8619 4.8619 5.2531 5.2531 6.2340 6.2340 7.5966 7.5966 8.4762 8.4762 9.1851 9.1851 9.3859 9.3859 12.6196 12.6196 13.0554 13.0554 13.4242 13.4242 14.7717 14.7717 k = 0.5000 0.3157 0.7498 ( 2420 PWs) bands (ev): -43.1912 -43.1912 -20.8210 -20.8210 -18.8055 -18.8055 -18.6552 -18.6552 4.8709 4.8709 5.1980 5.1980 6.2442 6.2442 7.5482 7.5482 8.5579 8.5579 9.2041 9.2041 9.3990 9.3990 12.5902 12.5902 13.0676 13.0676 13.3912 13.3912 14.8164 14.8164 k = 0.5000 0.3157 0.7498 ( 2420 PWs) bands (ev): -43.1912 -43.1912 -20.8210 -20.8210 -18.8055 -18.8055 -18.6552 -18.6552 4.8709 4.8709 5.1980 5.1980 6.2442 6.2442 7.5482 7.5482 8.5579 8.5579 9.2041 9.2041 9.3990 9.3990 12.5902 12.5902 13.0676 13.0676 13.3912 13.3912 14.8164 14.8164 k = 0.5000 0.3157 0.7338 ( 2420 PWs) bands (ev): -43.1913 -43.1913 -20.8205 -20.8205 -18.8046 -18.8046 -18.6552 -18.6552 4.8844 4.8844 5.0973 5.0973 6.2648 6.2648 7.4633 7.4633 8.7051 8.7051 9.2504 9.2504 9.4228 9.4228 12.5366 12.5366 13.0724 13.0724 13.3364 13.3364 14.9015 14.9015 k = 0.5000 0.3157 0.7179 ( 2420 PWs) bands (ev): -43.1914 -43.1914 -20.8200 -20.8200 -18.8036 -18.8036 -18.6551 -18.6551 4.8965 4.8965 4.9982 4.9982 6.2870 6.2870 7.3819 7.3819 8.8539 8.8539 9.2965 9.2965 9.4484 9.4484 12.4831 12.4831 13.0727 13.0727 13.2845 13.2845 14.9880 14.9880 k = 0.5000 0.3157 0.7019 ( 2420 PWs) bands (ev): -43.1915 -43.1915 -20.8195 -20.8195 -18.8025 -18.8025 -18.6550 -18.6550 4.8922 4.8922 4.9151 4.9151 6.3108 6.3108 7.3047 7.3047 9.0037 9.0037 9.3428 9.3428 9.4758 9.4758 12.4296 12.4296 13.0688 13.0688 13.2359 13.2359 15.0753 15.0753 k = 0.5000 0.3157 0.6860 ( 2424 PWs) bands (ev): -43.1916 -43.1916 -20.8190 -20.8190 -18.8014 -18.8014 -18.6550 -18.6550 4.8014 4.8014 4.9179 4.9179 6.3362 6.3362 7.2328 7.2328 9.1537 9.1537 9.3896 9.3896 9.5051 9.5051 12.3764 12.3764 13.0609 13.0609 13.1911 13.1911 15.1629 15.1629 k = 0.5000 0.3157 0.6700 ( 2420 PWs) bands (ev): -43.1917 -43.1917 -20.8185 -20.8185 -18.8002 -18.8002 -18.6549 -18.6549 4.7070 4.7070 4.9228 4.9228 6.3632 6.3632 7.1672 7.1672 9.3025 9.3025 9.4381 9.4381 9.5362 9.5362 12.3236 12.3236 13.0493 13.0493 13.1508 13.1508 15.2504 15.2504 k = 0.5000 0.3157 0.6540 ( 2424 PWs) bands (ev): -43.1918 -43.1918 -20.8179 -20.8179 -18.7990 -18.7990 -18.6548 -18.6548 4.6142 4.6142 4.9241 4.9241 6.3918 6.3918 7.1089 7.1089 9.4412 9.4412 9.4964 9.4964 9.5694 9.5694 12.2710 12.2710 13.0344 13.0344 13.1153 13.1153 15.3373 15.3373 k = 0.5000 0.3157 0.6381 ( 2434 PWs) bands (ev): -43.1921 -43.1921 -20.8173 -20.8173 -18.7977 -18.7977 -18.6548 -18.6548 4.5232 4.5232 4.9208 4.9208 6.4219 6.4219 7.0590 7.0590 9.5196 9.5196 9.5977 9.5977 9.6208 9.6208 12.2188 12.2188 13.0165 13.0165 13.0853 13.0853 15.4230 15.4230 k = 0.5000 0.3157 0.6221 ( 2434 PWs) bands (ev): -43.1922 -43.1922 -20.8166 -20.8166 -18.7963 -18.7963 -18.6547 -18.6547 4.4342 4.4342 4.9122 4.9122 6.4536 6.4536 7.0183 7.0183 9.5710 9.5710 9.6380 9.6380 9.7607 9.7607 12.1668 12.1668 12.9961 12.9961 13.0614 13.0614 15.5070 15.5070 k = 0.5000 0.3157 0.6062 ( 2434 PWs) bands (ev): -43.1923 -43.1923 -20.8160 -20.8160 -18.7949 -18.7949 -18.6546 -18.6546 4.3472 4.3472 4.8977 4.8977 6.4868 6.4868 6.9875 6.9875 9.6203 9.6203 9.6759 9.6759 9.9045 9.9045 12.1151 12.1151 12.9734 12.9734 13.0444 13.0444 15.5890 15.5890 k = 0.5000 0.3157 0.5902 ( 2434 PWs) bands (ev): -43.1925 -43.1925 -20.8153 -20.8153 -18.7935 -18.7935 -18.6545 -18.6545 4.2623 4.2623 4.8769 4.8769 6.5215 6.5215 6.9673 6.9673 9.6696 9.6696 9.7152 9.7152 10.0457 10.0457 12.0635 12.0635 12.9486 12.9486 13.0354 13.0354 15.6681 15.6681 k = 0.5000 0.3157 0.5743 ( 2430 PWs) bands (ev): -43.1925 -43.1925 -20.8146 -20.8146 -18.7920 -18.7920 -18.6544 -18.6544 4.1795 4.1795 4.8498 4.8498 6.5577 6.5577 6.9578 6.9578 9.7190 9.7190 9.7560 9.7560 10.1827 10.1827 12.0121 12.0121 12.9218 12.9218 13.0353 13.0353 15.7439 15.7439 k = 0.5000 0.3157 0.5583 ( 2422 PWs) bands (ev): -43.1926 -43.1926 -20.8139 -20.8139 -18.7905 -18.7905 -18.6543 -18.6543 4.0989 4.0989 4.8163 4.8163 6.5953 6.5953 6.9591 6.9591 9.7688 9.7688 9.7982 9.7982 10.3141 10.3141 11.9607 11.9607 12.8932 12.8932 13.0455 13.0455 15.8156 15.8156 k = 0.5000 0.3157 0.5424 ( 2414 PWs) bands (ev): -43.1926 -43.1926 -20.8131 -20.8131 -18.7889 -18.7889 -18.6542 -18.6542 4.0204 4.0204 4.7767 4.7767 6.6343 6.6343 6.9711 6.9711 9.8188 9.8188 9.8419 9.8419 10.4387 10.4387 11.9092 11.9092 12.8630 12.8630 13.0671 13.0671 15.8826 15.8826 k = 0.5000 0.3157 0.5264 ( 2418 PWs) bands (ev): -43.1928 -43.1928 -20.8124 -20.8124 -18.7873 -18.7873 -18.6541 -18.6541 3.9441 3.9441 4.7317 4.7317 6.6747 6.6747 6.9934 6.9934 9.8690 9.8690 9.8870 9.8870 10.5552 10.5552 11.8575 11.8575 12.8312 12.8312 13.1013 13.1013 15.9442 15.9442 k = 0.5000 0.3157 0.5105 ( 2418 PWs) bands (ev): -43.1929 -43.1929 -20.8116 -20.8116 -18.7857 -18.7857 -18.6540 -18.6540 3.8701 3.8701 4.6818 4.6818 6.7164 6.7164 7.0253 7.0253 9.9192 9.9192 9.9335 9.9335 10.6624 10.6624 11.8055 11.8055 12.7981 12.7981 13.1491 13.1491 15.9997 15.9997 k = 0.5000 0.3157 0.4945 ( 2422 PWs) bands (ev): -43.1931 -43.1931 -20.8109 -20.8109 -18.7841 -18.7841 -18.6539 -18.6539 3.7982 3.7982 4.6278 4.6278 6.7594 6.7594 7.0663 7.0663 9.9693 9.9693 9.9815 9.9815 10.7595 10.7595 11.7531 11.7531 12.7639 12.7639 13.2114 13.2114 16.0486 16.0486 k = 0.5000 0.3157 0.4786 ( 2422 PWs) bands (ev): -43.1932 -43.1932 -20.8101 -20.8101 -18.7825 -18.7825 -18.6538 -18.6538 3.7286 3.7286 4.5704 4.5704 6.8036 6.8036 7.1156 7.1156 10.0194 10.0194 10.0307 10.0307 10.8457 10.8457 11.7002 11.7002 12.7285 12.7285 13.2888 13.2888 16.0905 16.0905 k = 0.5000 0.3157 0.4626 ( 2422 PWs) bands (ev): -43.1934 -43.1934 -20.8093 -20.8093 -18.7808 -18.7808 -18.6536 -18.6536 3.6612 3.6612 4.5104 4.5104 6.8491 6.8491 7.1726 7.1726 10.0694 10.0694 10.0808 10.0808 10.9208 10.9208 11.6468 11.6468 12.6922 12.6922 13.3815 13.3815 16.1250 16.1250 k = 0.5000 0.3157 0.4467 ( 2422 PWs) bands (ev): -43.1935 -43.1935 -20.8086 -20.8086 -18.7792 -18.7792 -18.6535 -18.6535 3.5961 3.5961 4.4484 4.4484 6.8957 6.8957 7.2366 7.2366 10.1195 10.1195 10.1314 10.1314 10.9851 10.9851 11.5926 11.5926 12.6549 12.6549 13.4893 13.4893 16.1522 16.1522 k = 0.5000 0.3157 0.4307 ( 2422 PWs) bands (ev): -43.1937 -43.1937 -20.8078 -20.8078 -18.7775 -18.7775 -18.6534 -18.6534 3.5333 3.5333 4.3851 4.3851 6.9435 6.9435 7.3070 7.3070 10.1699 10.1699 10.1823 10.1823 11.0390 11.0390 11.5377 11.5377 12.6167 12.6167 13.6114 13.6114 16.1724 16.1724 k = 0.5000 0.3157 0.4148 ( 2414 PWs) bands (ev): -43.1937 -43.1937 -20.8070 -20.8070 -18.7759 -18.7759 -18.6532 -18.6532 3.4727 3.4727 4.3211 4.3211 6.9923 6.9923 7.3833 7.3833 10.2202 10.2202 10.2333 10.2333 11.0834 11.0834 11.4819 11.4819 12.5776 12.5776 13.7470 13.7470 16.1861 16.1861 k = 0.5000 0.3157 0.3988 ( 2424 PWs) bands (ev): -43.1940 -43.1940 -20.8062 -20.8062 -18.7742 -18.7742 -18.6531 -18.6531 3.4144 3.4144 4.2569 4.2569 7.0422 7.0422 7.4648 7.4648 10.2701 10.2701 10.2845 10.2845 11.1194 11.1194 11.4253 11.4253 12.5376 12.5376 13.8949 13.8949 16.1941 16.1941 k = 0.5000 0.3157 0.3829 ( 2420 PWs) bands (ev): -43.1941 -43.1941 -20.8055 -20.8055 -18.7726 -18.7726 -18.6530 -18.6530 3.3583 3.3583 4.1929 4.1929 7.0929 7.0929 7.5513 7.5513 10.3193 10.3193 10.3359 10.3359 11.1481 11.1481 11.3679 11.3679 12.4967 12.4967 14.0540 14.0540 16.1975 16.1975 k = 0.5000 0.3157 0.3669 ( 2416 PWs) bands (ev): -43.1941 -43.1941 -20.8047 -20.8047 -18.7710 -18.7710 -18.6529 -18.6529 3.3046 3.3046 4.1296 4.1296 7.1446 7.1446 7.6421 7.6421 10.3673 10.3673 10.3877 10.3877 11.1703 11.1703 11.3098 11.3098 12.4549 12.4549 14.2230 14.2230 16.1972 16.1972 k = 0.5000 0.3157 0.3510 ( 2410 PWs) bands (ev): -43.1942 -43.1942 -20.8040 -20.8040 -18.7694 -18.7694 -18.6527 -18.6527 3.2531 3.2531 4.0673 4.0673 7.1970 7.1970 7.7371 7.7371 10.4139 10.4139 10.4397 10.4397 11.1867 11.1867 11.2515 11.2515 12.4121 12.4121 14.4008 14.4008 16.1944 16.1944 k = 0.5000 0.3157 0.3350 ( 2398 PWs) bands (ev): -43.1942 -43.1942 -20.8032 -20.8032 -18.7678 -18.7678 -18.6526 -18.6526 3.2040 3.2040 4.0063 4.0063 7.2501 7.2501 7.8358 7.8358 10.4588 10.4588 10.4918 10.4918 11.1828 11.1828 11.2084 11.2084 12.3683 12.3683 14.5863 14.5863 16.1887 16.1887 k = 0.5000 0.3157 0.3190 ( 2398 PWs) bands (ev): -43.1943 -43.1943 -20.8025 -20.8025 -18.7663 -18.7663 -18.6524 -18.6524 3.1571 3.1571 3.9468 3.9468 7.3038 7.3038 7.9380 7.9380 10.5018 10.5018 10.5438 10.5438 11.1270 11.1270 11.2131 11.2131 12.3234 12.3234 14.7786 14.7786 16.1193 16.1193 k = 0.5000 0.3157 0.3031 ( 2398 PWs) bands (ev): -43.1944 -43.1944 -20.8018 -20.8018 -18.7648 -18.7648 -18.6523 -18.6523 3.1124 3.1124 3.8892 3.8892 7.3579 7.3579 8.0433 8.0433 10.5426 10.5426 10.5953 10.5953 11.0663 11.0663 11.2194 11.2194 12.2774 12.2774 14.9768 14.9768 15.9982 15.9982 k = 0.5000 0.3157 0.2871 ( 2394 PWs) bands (ev): -43.1945 -43.1945 -20.8011 -20.8011 -18.7633 -18.7633 -18.6522 -18.6522 3.0701 3.0701 3.8336 3.8336 7.4123 7.4123 8.1515 8.1515 10.5810 10.5810 10.6462 10.6462 11.0048 11.0048 11.2239 11.2239 12.2301 12.2301 15.1801 15.1801 15.8678 15.8678 k = 0.5000 0.3157 0.2712 ( 2392 PWs) bands (ev): -43.1946 -43.1946 -20.8005 -20.8005 -18.7619 -18.7619 -18.6521 -18.6521 3.0301 3.0301 3.7803 3.7803 7.4669 7.4669 8.2623 8.2623 10.6165 10.6165 10.6962 10.6962 10.9432 10.9432 11.2269 11.2269 12.1816 12.1816 15.3878 15.3878 15.7331 15.7331 k = 0.5000 0.3157 0.2552 ( 2398 PWs) bands (ev): -43.1948 -43.1948 -20.7998 -20.7998 -18.7605 -18.7605 -18.6519 -18.6519 2.9924 2.9924 3.7293 3.7293 7.5215 7.5215 8.3754 8.3754 10.6487 10.6487 10.7443 10.7443 10.8826 10.8826 11.2286 11.2286 12.1317 12.1317 15.5947 15.5947 15.6017 15.6017 k = 0.5000 0.3157 0.2393 ( 2394 PWs) bands (ev): -43.1948 -43.1948 -20.7992 -20.7992 -18.7592 -18.7592 -18.6518 -18.6518 2.9569 2.9569 3.6808 3.6808 7.5758 7.5758 8.4907 8.4907 10.6767 10.6767 10.7845 10.7845 10.8297 10.8297 11.2293 11.2293 12.0806 12.0806 15.4632 15.4632 15.8131 15.8131 k = 0.5000 0.3157 0.2233 ( 2390 PWs) bands (ev): -43.1949 -43.1949 -20.7987 -20.7987 -18.7580 -18.7580 -18.6517 -18.6517 2.9238 2.9238 3.6349 3.6349 7.6297 7.6297 8.6078 8.6078 10.6965 10.6965 10.7587 10.7587 10.8461 10.8461 11.2292 11.2292 12.0283 12.0283 15.3328 15.3328 16.0285 16.0285 k = 0.5000 0.3157 0.2074 ( 2386 PWs) bands (ev): -43.1949 -43.1949 -20.7981 -20.7981 -18.7568 -18.7568 -18.6516 -18.6516 2.8929 2.8929 3.5918 3.5918 7.6828 7.6828 8.7265 8.7265 10.6790 10.6790 10.7386 10.7386 10.8887 10.8887 11.2287 11.2287 11.9751 11.9751 15.2074 15.2074 16.2128 16.2128 k = 0.5000 0.3157 0.1914 ( 2388 PWs) bands (ev): -43.1950 -43.1950 -20.7976 -20.7976 -18.7557 -18.7557 -18.6515 -18.6515 2.8643 2.8643 3.5516 3.5516 7.7349 7.7349 8.8464 8.8464 10.6261 10.6261 10.7486 10.7486 10.9309 10.9309 11.2277 11.2277 11.9212 11.9212 15.0883 15.0883 16.2312 16.2312 k = 0.5000 0.3157 0.1755 ( 2384 PWs) bands (ev): -43.1951 -43.1951 -20.7971 -20.7971 -18.7547 -18.7547 -18.6514 -18.6514 2.8380 2.8380 3.5143 3.5143 7.7857 7.7857 8.9674 8.9674 10.5696 10.5696 10.7576 10.7576 10.9712 10.9712 11.2266 11.2266 11.8672 11.8672 14.9764 14.9764 16.2517 16.2517 k = 0.5000 0.3157 0.1595 ( 2376 PWs) bands (ev): -43.1950 -43.1950 -20.7967 -20.7967 -18.7537 -18.7537 -18.6513 -18.6513 2.8140 2.8140 3.4799 3.4799 7.8346 7.8346 9.0891 9.0891 10.5142 10.5142 10.7608 10.7608 11.0090 11.0090 11.2252 11.2252 11.8139 11.8139 14.8725 14.8725 16.2758 16.2758 k = 0.5000 0.3157 0.1436 ( 2376 PWs) bands (ev): -43.1951 -43.1951 -20.7963 -20.7963 -18.7529 -18.7529 -18.6512 -18.6512 2.7923 2.7923 3.4487 3.4487 7.8814 7.8814 9.2112 9.2112 10.4610 10.4610 10.7567 10.7567 11.0441 11.0441 11.2238 11.2238 11.7622 11.7622 14.7772 14.7772 16.3032 16.3032 k = 0.5000 0.3157 0.1276 ( 2372 PWs) bands (ev): -43.1951 -43.1951 -20.7959 -20.7959 -18.7521 -18.7521 -18.6511 -18.6511 2.7729 2.7729 3.4206 3.4206 7.9255 7.9255 9.3332 9.3332 10.4107 10.4107 10.7440 10.7440 11.0760 11.0760 11.2225 11.2225 11.7133 11.7133 14.6910 14.6910 16.3338 16.3338 k = 0.5000 0.3157 0.1117 ( 2370 PWs) bands (ev): -43.1952 -43.1952 -20.7956 -20.7956 -18.7514 -18.7514 -18.6511 -18.6511 2.7557 2.7557 3.3957 3.3957 7.9664 7.9664 9.4547 9.4547 10.3641 10.3641 10.7214 10.7214 11.1045 11.1045 11.2213 11.2213 11.6684 11.6684 14.6143 14.6143 16.3671 16.3671 k = 0.5000 0.3157 0.0957 ( 2374 PWs) bands (ev): -43.1953 -43.1953 -20.7953 -20.7953 -18.7508 -18.7508 -18.6510 -18.6510 2.7409 2.7409 3.3741 3.3741 8.0035 8.0035 9.5752 9.5752 10.3219 10.3219 10.6880 10.6880 11.1290 11.1290 11.2206 11.2206 11.6286 11.6286 14.5474 14.5474 16.4026 16.4026 k = 0.5000 0.3157 0.0798 ( 2368 PWs) bands (ev): -43.1952 -43.1952 -20.7950 -20.7950 -18.7502 -18.7502 -18.6510 -18.6510 2.7283 2.7283 3.3557 3.3557 8.0362 8.0362 9.6942 9.6942 10.2848 10.2848 10.6432 10.6432 11.1493 11.1493 11.2207 11.2207 11.5949 11.5949 14.4906 14.4906 16.4395 16.4395 k = 0.5000 0.3157 0.0638 ( 2370 PWs) bands (ev): -43.1953 -43.1953 -20.7948 -20.7948 -18.7498 -18.7498 -18.6509 -18.6509 2.7180 2.7180 3.3406 3.3406 8.0640 8.0640 9.8108 9.8108 10.2533 10.2533 10.5871 10.5871 11.1648 11.1648 11.2219 11.2219 11.5676 11.5676 14.4439 14.4439 16.4764 16.4764 k = 0.5000 0.3157 0.0479 ( 2370 PWs) bands (ev): -43.1953 -43.1953 -20.7947 -20.7947 -18.7495 -18.7495 -18.6509 -18.6509 2.7100 2.7100 3.3288 3.3288 8.0863 8.0863 9.9239 9.9239 10.2284 10.2284 10.5205 10.5205 11.1754 11.1754 11.2243 11.2243 11.5470 11.5470 14.4076 14.4076 16.5114 16.5114 k = 0.5000 0.3157 0.0319 ( 2370 PWs) bands (ev): -43.1953 -43.1953 -20.7946 -20.7946 -18.7492 -18.7492 -18.6509 -18.6509 2.7043 2.7043 3.3204 3.3204 8.1027 8.1027 10.0315 10.0315 10.2108 10.2108 10.4450 10.4450 11.1817 11.1817 11.2274 11.2274 11.5326 11.5326 14.3816 14.3816 16.5414 16.5414 k = 0.5000 0.3157 0.0160 ( 2370 PWs) bands (ev): -43.1953 -43.1953 -20.7945 -20.7945 -18.7491 -18.7491 -18.6509 -18.6509 2.7009 2.7009 3.3153 3.3153 8.1126 8.1126 10.1262 10.1262 10.2042 10.2042 10.3654 10.3654 11.1848 11.1848 11.2299 11.2299 11.5242 11.5242 14.3660 14.3660 16.5624 16.5624 k = 0.5000 0.3157 0.0000 ( 2378 PWs) bands (ev): -43.1954 -43.1954 -20.7945 -20.7945 -18.7490 -18.7490 -18.6509 -18.6509 2.6998 2.6998 3.3136 3.3136 8.1160 8.1160 10.1675 10.1675 10.2187 10.2187 10.3124 10.3124 11.1856 11.1856 11.2308 11.2308 11.5214 11.5214 14.3608 14.3608 16.5701 16.5701 k = 0.0000 0.0000 0.9365 ( 2416 PWs) bands (ev): -43.1907 -43.1907 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.7627 4.7627 6.1258 6.1258 6.1601 6.1601 7.3235 7.3235 8.4662 8.4662 8.6286 8.6286 9.2622 9.2622 12.8827 12.8827 13.0373 13.0373 13.9430 13.9430 14.1977 14.1977 k = 0.0132 0.0083 0.9365 ( 2416 PWs) bands (ev): -43.1907 -43.1907 -20.8235 -20.8235 -18.8109 -18.8109 -18.6554 -18.6554 4.7633 4.7633 6.1258 6.1258 6.1601 6.1601 7.3159 7.3159 8.4767 8.4767 8.6296 8.6296 9.2609 9.2609 12.8826 12.8826 13.0372 13.0372 13.9011 13.9011 14.1972 14.1972 k = 0.0263 0.0166 0.9365 ( 2420 PWs) bands (ev): -43.1907 -43.1907 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.7652 4.7652 6.1257 6.1257 6.1601 6.1601 7.2939 7.2939 8.5071 8.5071 8.6327 8.6327 9.2572 9.2572 12.8823 12.8823 13.0372 13.0372 13.8015 13.8015 14.1995 14.1995 k = 0.0395 0.0249 0.9365 ( 2424 PWs) bands (ev): -43.1908 -43.1908 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.7684 4.7684 6.1256 6.1256 6.1601 6.1601 7.2598 7.2598 8.5547 8.5547 8.6383 8.6383 9.2510 9.2510 12.8818 12.8818 13.0370 13.0370 13.6761 13.6761 14.2062 14.2062 k = 0.0526 0.0332 0.9365 ( 2416 PWs) bands (ev): -43.1907 -43.1907 -20.8235 -20.8235 -18.8109 -18.8109 -18.6554 -18.6554 4.7726 4.7726 6.1254 6.1254 6.1602 6.1602 7.2166 7.2166 8.6137 8.6137 8.6491 8.6491 9.2425 9.2425 12.8809 12.8809 13.0368 13.0368 13.5394 13.5394 14.2166 14.2166 k = 0.0658 0.0415 0.9365 ( 2428 PWs) bands (ev): -43.1908 -43.1908 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.7780 4.7780 6.1252 6.1252 6.1602 6.1602 7.1672 7.1672 8.6471 8.6471 8.6989 8.6989 9.2317 9.2317 12.8794 12.8794 13.0364 13.0364 13.3976 13.3976 14.2302 14.2302 k = 0.0789 0.0499 0.9365 ( 2428 PWs) bands (ev): -43.1908 -43.1908 -20.8235 -20.8235 -18.8109 -18.8109 -18.6554 -18.6554 4.7844 4.7844 6.1250 6.1250 6.1602 6.1602 7.1143 7.1143 8.6597 8.6597 8.7805 8.7805 9.2187 9.2187 12.8765 12.8765 13.0356 13.0356 13.2548 13.2548 14.2467 14.2467 k = 0.0921 0.0582 0.9365 ( 2428 PWs) bands (ev): -43.1908 -43.1908 -20.8235 -20.8235 -18.8109 -18.8109 -18.6554 -18.6554 4.7915 4.7915 6.1247 6.1247 6.1602 6.1602 7.0597 7.0597 8.6723 8.6723 8.8704 8.8704 9.2037 9.2037 12.8700 12.8700 13.0319 13.0319 13.1175 13.1175 14.2659 14.2659 k = 0.1053 0.0665 0.9365 ( 2428 PWs) bands (ev): -43.1908 -43.1908 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.7994 4.7994 6.1245 6.1245 6.1602 6.1602 7.0052 7.0052 8.6862 8.6862 8.9655 8.9655 9.1869 9.1869 12.8482 12.8482 12.9794 12.9794 13.0449 13.0449 14.2877 14.2877 k = 0.1184 0.0748 0.9365 ( 2436 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8078 4.8078 6.1242 6.1242 6.1602 6.1602 6.9521 6.9521 8.7016 8.7016 9.0635 9.0635 9.1687 9.1687 12.7688 12.7688 12.9184 12.9184 13.0402 13.0402 14.3117 14.3117 k = 0.1316 0.0831 0.9365 ( 2440 PWs) bands (ev): -43.1910 -43.1910 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8164 4.8164 6.1239 6.1239 6.1602 6.1602 6.9013 6.9013 8.7184 8.7184 9.1435 9.1435 9.1684 9.1684 12.6439 12.6439 12.9024 12.9024 13.0392 13.0392 14.3379 14.3379 k = 0.1447 0.0914 0.9365 ( 2434 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8251 4.8251 6.1236 6.1236 6.1603 6.1603 6.8537 6.8537 8.7367 8.7367 9.1255 9.1255 9.2649 9.2649 12.5125 12.5125 12.8971 12.8971 13.0388 13.0388 14.3659 14.3659 k = 0.1579 0.0997 0.9365 ( 2436 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8336 4.8336 6.1234 6.1234 6.1603 6.1603 6.8101 6.8101 8.7562 8.7562 9.1030 9.1030 9.3627 9.3627 12.3844 12.3844 12.8946 12.8946 13.0386 13.0386 14.3955 14.3955 k = 0.1711 0.1080 0.9365 ( 2432 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8417 4.8417 6.1231 6.1231 6.1602 6.1602 6.7710 6.7710 8.7769 8.7769 9.0795 9.0795 9.4568 9.4568 12.2634 12.2634 12.8932 12.8932 13.0385 13.0385 14.4266 14.4266 k = 0.1842 0.1163 0.9365 ( 2432 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8490 4.8490 6.1229 6.1229 6.1602 6.1602 6.7370 6.7370 8.7986 8.7986 9.0552 9.0552 9.5448 9.5448 12.1524 12.1524 12.8924 12.8924 13.0384 13.0384 14.4587 14.4587 k = 0.1974 0.1246 0.9365 ( 2432 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8555 4.8555 6.1228 6.1228 6.1602 6.1602 6.7086 6.7086 8.8211 8.8211 9.0304 9.0304 9.6238 9.6238 12.0545 12.0545 12.8918 12.8918 13.0383 13.0383 14.4918 14.4918 k = 0.2105 0.1329 0.9365 ( 2444 PWs) bands (ev): -43.1911 -43.1911 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8607 4.8607 6.1227 6.1227 6.1602 6.1602 6.6860 6.6860 8.8440 8.8440 9.0057 9.0057 9.6906 9.6906 11.9729 11.9729 12.8914 12.8914 13.0382 13.0382 14.5255 14.5255 k = 0.2237 0.1412 0.9365 ( 2436 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8646 4.8646 6.1226 6.1226 6.1601 6.1601 6.6697 6.6697 8.8667 8.8667 8.9816 8.9816 9.7417 9.7417 11.9111 11.9111 12.8912 12.8912 13.0382 13.0382 14.5596 14.5596 k = 0.2368 0.1496 0.9365 ( 2432 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8670 4.8670 6.1226 6.1226 6.1601 6.1601 6.6599 6.6599 8.8871 8.8871 8.9605 8.9605 9.7740 9.7740 11.8725 11.8725 12.8910 12.8910 13.0382 13.0382 14.5937 14.5937 k = 0.2500 0.1579 0.9365 ( 2432 PWs) bands (ev): -43.1909 -43.1909 -20.8235 -20.8235 -18.8109 -18.8109 -18.6555 -18.6555 4.8678 4.8678 6.1226 6.1226 6.1600 6.1600 6.6566 6.6566 8.8969 8.8969 8.9504 8.9504 9.7851 9.7851 11.8592 11.8592 12.8910 12.8910 13.0382 13.0382 14.6220 14.6220 Writing output data file NbAl3.save init_run : 0.40s CPU 0.55s WALL ( 1 calls) electrons : 93.87s CPU 95.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 93.86s CPU 95.33s 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 : 0.06s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 383 calls) cegterg : 80.50s CPU 81.55s WALL ( 401 calls) Called by sum_band: Called by *egterg: h_psi : 58.70s CPU 59.97s WALL ( 6990 calls) s_psi : 2.70s CPU 2.83s WALL ( 6990 calls) g_psi : 0.08s CPU 0.09s WALL ( 6206 calls) cdiaghg : 24.31s CPU 24.11s WALL ( 6589 calls) cegterg:over : 1.76s CPU 1.81s WALL ( 6206 calls) cegterg:upda : 1.34s CPU 1.35s WALL ( 6206 calls) cegterg:last : 0.81s CPU 0.76s WALL ( 1177 calls) cdiaghg:chol : 1.20s CPU 1.28s WALL ( 6589 calls) cdiaghg:inve : 0.54s CPU 0.60s WALL ( 6589 calls) cdiaghg:para : 1.35s CPU 1.41s WALL ( 13178 calls) Called by h_psi: h_psi:vloc : 52.73s CPU 53.99s WALL ( 6990 calls) h_psi:vnl : 5.92s CPU 5.92s WALL ( 6990 calls) add_vuspsi : 3.42s CPU 3.33s WALL ( 6990 calls) General routines calbec : 2.46s CPU 2.58s WALL ( 6990 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 49.86s CPU 51.04s WALL ( 498148 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.12s WALL ( 766 calls) Parallel routines fft_scatter : 15.89s CPU 16.23s WALL ( 498171 calls) PWSCF : 1m44.10s CPU 2m 0.09s WALL This run was terminated on: 18:36:40 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=