Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20: 6:31 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: ./K2S.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 52 30 8 1481 656 102 Max 53 31 9 1484 676 107 Sum 1879 1099 313 53377 24045 3767 bravais-lattice index = 14 lattice parameter (alat) = 9.8761 a.u. unit-cell volume = 681.1553 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 278.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.876136 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 S 6.00 32.06500 S( 1.00) K 9.00 39.09830 K( 1.00) 12 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 291 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0116279 -0.0067134 0.0094941), wk = 0.0034364 k( 3) = ( 0.0232558 -0.0134267 0.0189883), wk = 0.0034364 k( 4) = ( 0.0348837 -0.0201401 0.0284824), wk = 0.0034364 k( 5) = ( 0.0465116 -0.0268535 0.0379766), wk = 0.0034364 k( 6) = ( 0.0581395 -0.0335669 0.0474707), wk = 0.0034364 k( 7) = ( 0.0697674 -0.0402803 0.0569649), wk = 0.0034364 k( 8) = ( 0.0813954 -0.0469936 0.0664590), wk = 0.0034364 k( 9) = ( 0.0930233 -0.0537070 0.0759532), wk = 0.0034364 k( 10) = ( 0.1046512 -0.0604204 0.0854473), wk = 0.0034364 k( 11) = ( 0.1162791 -0.0671338 0.0949415), wk = 0.0034364 k( 12) = ( 0.1279070 -0.0738471 0.1044356), wk = 0.0034364 k( 13) = ( 0.1395349 -0.0805605 0.1139298), wk = 0.0034364 k( 14) = ( 0.1511628 -0.0872739 0.1234239), wk = 0.0034364 k( 15) = ( 0.1627907 -0.0939873 0.1329180), wk = 0.0034364 k( 16) = ( 0.1744186 -0.1007006 0.1424122), wk = 0.0034364 k( 17) = ( 0.1860465 -0.1074140 0.1519063), wk = 0.0034364 k( 18) = ( 0.1976744 -0.1141274 0.1614005), wk = 0.0034364 k( 19) = ( 0.2093023 -0.1208408 0.1708946), wk = 0.0034364 k( 20) = ( 0.2209302 -0.1275541 0.1803888), wk = 0.0034364 k( 21) = ( 0.2325581 -0.1342675 0.1898829), wk = 0.0034364 k( 22) = ( 0.2441860 -0.1409809 0.1993771), wk = 0.0034364 k( 23) = ( 0.2558140 -0.1476943 0.2088712), wk = 0.0034364 k( 24) = ( 0.2674419 -0.1544076 0.2183654), wk = 0.0034364 k( 25) = ( 0.2790698 -0.1611210 0.2278595), wk = 0.0034364 k( 26) = ( 0.2906977 -0.1678344 0.2373537), wk = 0.0034364 k( 27) = ( 0.3023256 -0.1745478 0.2468478), wk = 0.0034364 k( 28) = ( 0.3139535 -0.1812611 0.2563420), wk = 0.0034364 k( 29) = ( 0.3255814 -0.1879745 0.2658361), wk = 0.0034364 k( 30) = ( 0.3372093 -0.1946879 0.2753302), wk = 0.0034364 k( 31) = ( 0.3488372 -0.2014013 0.2848244), wk = 0.0034364 k( 32) = ( 0.3604651 -0.2081146 0.2943185), wk = 0.0034364 k( 33) = ( 0.3720930 -0.2148280 0.3038127), wk = 0.0034364 k( 34) = ( 0.3837209 -0.2215414 0.3133068), wk = 0.0034364 k( 35) = ( 0.3953488 -0.2282548 0.3228010), wk = 0.0034364 k( 36) = ( 0.4069767 -0.2349681 0.3322951), wk = 0.0034364 k( 37) = ( 0.4186047 -0.2416815 0.3417893), wk = 0.0034364 k( 38) = ( 0.4302326 -0.2483949 0.3512834), wk = 0.0034364 k( 39) = ( 0.4418605 -0.2551083 0.3607776), wk = 0.0034364 k( 40) = ( 0.4534884 -0.2618216 0.3702717), wk = 0.0034364 k( 41) = ( 0.4651163 -0.2685350 0.3797659), wk = 0.0034364 k( 42) = ( 0.4767442 -0.2752484 0.3892600), wk = 0.0034364 k( 43) = ( 0.4883721 -0.2819618 0.3987541), wk = 0.0034364 k( 44) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034364 k( 45) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034364 k( 46) = ( 0.5000000 -0.2755535 0.4175267), wk = 0.0034364 k( 47) = ( 0.5000000 -0.2624319 0.4268050), wk = 0.0034364 k( 48) = ( 0.5000000 -0.2493103 0.4360834), wk = 0.0034364 k( 49) = ( 0.5000000 -0.2361887 0.4453618), wk = 0.0034364 k( 50) = ( 0.5000000 -0.2230672 0.4546401), wk = 0.0034364 k( 51) = ( 0.5000000 -0.2099456 0.4639185), wk = 0.0034364 k( 52) = ( 0.5000000 -0.1968240 0.4731969), wk = 0.0034364 k( 53) = ( 0.5000000 -0.1837024 0.4824753), wk = 0.0034364 k( 54) = ( 0.5000000 -0.1705808 0.4917536), wk = 0.0034364 k( 55) = ( 0.5000000 -0.1574592 0.5010320), wk = 0.0034364 k( 56) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0034364 k( 57) = ( 0.5000000 -0.1312160 0.5195887), wk = 0.0034364 k( 58) = ( 0.5000000 -0.1180944 0.5288671), wk = 0.0034364 k( 59) = ( 0.5000000 -0.1049728 0.5381455), wk = 0.0034364 k( 60) = ( 0.5000000 -0.0918512 0.5474238), wk = 0.0034364 k( 61) = ( 0.5000000 -0.0787296 0.5567022), wk = 0.0034364 k( 62) = ( 0.5000000 -0.0656080 0.5659806), wk = 0.0034364 k( 63) = ( 0.5000000 -0.0524864 0.5752590), wk = 0.0034364 k( 64) = ( 0.5000000 -0.0393648 0.5845373), wk = 0.0034364 k( 65) = ( 0.5000000 -0.0262432 0.5938157), wk = 0.0034364 k( 66) = ( 0.5000000 -0.0131216 0.6030941), wk = 0.0034364 k( 67) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034364 k( 68) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034364 k( 69) = ( 0.4921875 0.0135316 0.6123724), wk = 0.0034364 k( 70) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0034364 k( 71) = ( 0.4765625 0.0405949 0.6123724), wk = 0.0034364 k( 72) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0034364 k( 73) = ( 0.4609375 0.0676582 0.6123724), wk = 0.0034364 k( 74) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0034364 k( 75) = ( 0.4453125 0.0947215 0.6123724), wk = 0.0034364 k( 76) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0034364 k( 77) = ( 0.4296875 0.1217848 0.6123724), wk = 0.0034364 k( 78) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0034364 k( 79) = ( 0.4140625 0.1488481 0.6123724), wk = 0.0034364 k( 80) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0034364 k( 81) = ( 0.3984375 0.1759114 0.6123724), wk = 0.0034364 k( 82) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0034364 k( 83) = ( 0.3828125 0.2029747 0.6123724), wk = 0.0034364 k( 84) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034364 k( 85) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034364 k( 86) = ( 0.3668478 0.2117997 0.5990600), wk = 0.0034364 k( 87) = ( 0.3586956 0.2070930 0.5857475), wk = 0.0034364 k( 88) = ( 0.3505435 0.2023864 0.5724351), wk = 0.0034364 k( 89) = ( 0.3423913 0.1976797 0.5591227), wk = 0.0034364 k( 90) = ( 0.3342391 0.1929731 0.5458102), wk = 0.0034364 k( 91) = ( 0.3260870 0.1882664 0.5324978), wk = 0.0034364 k( 92) = ( 0.3179348 0.1835597 0.5191853), wk = 0.0034364 k( 93) = ( 0.3097826 0.1788531 0.5058729), wk = 0.0034364 k( 94) = ( 0.3016304 0.1741464 0.4925604), wk = 0.0034364 k( 95) = ( 0.2934783 0.1694398 0.4792480), wk = 0.0034364 k( 96) = ( 0.2853261 0.1647331 0.4659355), wk = 0.0034364 k( 97) = ( 0.2771739 0.1600264 0.4526231), wk = 0.0034364 k( 98) = ( 0.2690217 0.1553198 0.4393107), wk = 0.0034364 k( 99) = ( 0.2608696 0.1506131 0.4259982), wk = 0.0034364 k( 100) = ( 0.2527174 0.1459065 0.4126858), wk = 0.0034364 k( 101) = ( 0.2445652 0.1411998 0.3993733), wk = 0.0034364 k( 102) = ( 0.2364130 0.1364931 0.3860609), wk = 0.0034364 k( 103) = ( 0.2282609 0.1317865 0.3727484), wk = 0.0034364 k( 104) = ( 0.2201087 0.1270798 0.3594360), wk = 0.0034364 k( 105) = ( 0.2119565 0.1223732 0.3461235), wk = 0.0034364 k( 106) = ( 0.2038043 0.1176665 0.3328111), wk = 0.0034364 k( 107) = ( 0.1956522 0.1129598 0.3194987), wk = 0.0034364 k( 108) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0034364 k( 109) = ( 0.1793478 0.1035465 0.2928738), wk = 0.0034364 k( 110) = ( 0.1711957 0.0988399 0.2795613), wk = 0.0034364 k( 111) = ( 0.1630435 0.0941332 0.2662489), wk = 0.0034364 k( 112) = ( 0.1548913 0.0894265 0.2529364), wk = 0.0034364 k( 113) = ( 0.1467391 0.0847199 0.2396240), wk = 0.0034364 k( 114) = ( 0.1385870 0.0800132 0.2263115), wk = 0.0034364 k( 115) = ( 0.1304348 0.0753066 0.2129991), wk = 0.0034364 k( 116) = ( 0.1222826 0.0705999 0.1996867), wk = 0.0034364 k( 117) = ( 0.1141304 0.0658932 0.1863742), wk = 0.0034364 k( 118) = ( 0.1059783 0.0611866 0.1730618), wk = 0.0034364 k( 119) = ( 0.0978261 0.0564799 0.1597493), wk = 0.0034364 k( 120) = ( 0.0896739 0.0517733 0.1464369), wk = 0.0034364 k( 121) = ( 0.0815217 0.0470666 0.1331244), wk = 0.0034364 k( 122) = ( 0.0733696 0.0423599 0.1198120), wk = 0.0034364 k( 123) = ( 0.0652174 0.0376533 0.1064996), wk = 0.0034364 k( 124) = ( 0.0570652 0.0329466 0.0931871), wk = 0.0034364 k( 125) = ( 0.0489130 0.0282400 0.0798747), wk = 0.0034364 k( 126) = ( 0.0407609 0.0235333 0.0665622), wk = 0.0034364 k( 127) = ( 0.0326087 0.0188266 0.0532498), wk = 0.0034364 k( 128) = ( 0.0244565 0.0141200 0.0399373), wk = 0.0034364 k( 129) = ( 0.0163043 0.0094133 0.0266249), wk = 0.0034364 k( 130) = ( 0.0081522 0.0047067 0.0133125), wk = 0.0034364 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 133) = ( 0.0135135 0.0078020 0.0055169), wk = 0.0034364 k( 134) = ( 0.0270270 0.0156041 0.0110337), wk = 0.0034364 k( 135) = ( 0.0405405 0.0234061 0.0165506), wk = 0.0034364 k( 136) = ( 0.0540540 0.0312081 0.0220675), wk = 0.0034364 k( 137) = ( 0.0675676 0.0390102 0.0275843), wk = 0.0034364 k( 138) = ( 0.0810811 0.0468122 0.0331012), wk = 0.0034364 k( 139) = ( 0.0945946 0.0546142 0.0386181), wk = 0.0034364 k( 140) = ( 0.1081081 0.0624162 0.0441350), wk = 0.0034364 k( 141) = ( 0.1216216 0.0702183 0.0496518), wk = 0.0034364 k( 142) = ( 0.1351351 0.0780203 0.0551687), wk = 0.0034364 k( 143) = ( 0.1486486 0.0858223 0.0606856), wk = 0.0034364 k( 144) = ( 0.1621622 0.0936244 0.0662024), wk = 0.0034364 k( 145) = ( 0.1756757 0.1014264 0.0717193), wk = 0.0034364 k( 146) = ( 0.1891892 0.1092284 0.0772362), wk = 0.0034364 k( 147) = ( 0.2027027 0.1170305 0.0827530), wk = 0.0034364 k( 148) = ( 0.2162162 0.1248325 0.0882699), wk = 0.0034364 k( 149) = ( 0.2297297 0.1326345 0.0937868), wk = 0.0034364 k( 150) = ( 0.2432432 0.1404366 0.0993036), wk = 0.0034364 k( 151) = ( 0.2567568 0.1482386 0.1048205), wk = 0.0034364 k( 152) = ( 0.2702703 0.1560406 0.1103374), wk = 0.0034364 k( 153) = ( 0.2837838 0.1638426 0.1158542), wk = 0.0034364 k( 154) = ( 0.2972973 0.1716447 0.1213711), wk = 0.0034364 k( 155) = ( 0.3108108 0.1794467 0.1268880), wk = 0.0034364 k( 156) = ( 0.3243243 0.1872487 0.1324048), wk = 0.0034364 k( 157) = ( 0.3378378 0.1950508 0.1379217), wk = 0.0034364 k( 158) = ( 0.3513514 0.2028528 0.1434386), wk = 0.0034364 k( 159) = ( 0.3648649 0.2106548 0.1489555), wk = 0.0034364 k( 160) = ( 0.3783784 0.2184569 0.1544723), wk = 0.0034364 k( 161) = ( 0.3918919 0.2262589 0.1599892), wk = 0.0034364 k( 162) = ( 0.4054054 0.2340609 0.1655061), wk = 0.0034364 k( 163) = ( 0.4189189 0.2418630 0.1710229), wk = 0.0034364 k( 164) = ( 0.4324324 0.2496650 0.1765398), wk = 0.0034364 k( 165) = ( 0.4459459 0.2574670 0.1820567), wk = 0.0034364 k( 166) = ( 0.4594595 0.2652690 0.1875735), wk = 0.0034364 k( 167) = ( 0.4729730 0.2730711 0.1930904), wk = 0.0034364 k( 168) = ( 0.4864865 0.2808731 0.1986073), wk = 0.0034364 k( 169) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034364 k( 170) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034364 k( 171) = ( 0.5046296 0.2753105 0.2116843), wk = 0.0034364 k( 172) = ( 0.5092593 0.2619460 0.2192445), wk = 0.0034364 k( 173) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0034364 k( 174) = ( 0.5185185 0.2352168 0.2343648), wk = 0.0034364 k( 175) = ( 0.5231482 0.2218522 0.2419249), wk = 0.0034364 k( 176) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0034364 k( 177) = ( 0.5324074 0.1951230 0.2570452), wk = 0.0034364 k( 178) = ( 0.5370370 0.1817584 0.2646054), wk = 0.0034364 k( 179) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0034364 k( 180) = ( 0.5462963 0.1550292 0.2797257), wk = 0.0034364 k( 181) = ( 0.5509259 0.1416646 0.2872858), wk = 0.0034364 k( 182) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0034364 k( 183) = ( 0.5601852 0.1149355 0.3024061), wk = 0.0034364 k( 184) = ( 0.5648148 0.1015709 0.3099663), wk = 0.0034364 k( 185) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0034364 k( 186) = ( 0.5740741 0.0748417 0.3250866), wk = 0.0034364 k( 187) = ( 0.5787037 0.0614771 0.3326468), wk = 0.0034364 k( 188) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0034364 k( 189) = ( 0.5879630 0.0347479 0.3477671), wk = 0.0034364 k( 190) = ( 0.5925926 0.0213833 0.3553272), wk = 0.0034364 k( 191) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0034364 k( 192) = ( 0.6018518 -0.0053458 0.3704475), wk = 0.0034364 k( 193) = ( 0.6064815 -0.0187104 0.3780077), wk = 0.0034364 k( 194) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0034364 k( 195) = ( 0.6157407 -0.0454396 0.3931280), wk = 0.0034364 k( 196) = ( 0.6203704 -0.0588042 0.4006881), wk = 0.0034364 k( 197) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034364 k( 198) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034364 k( 199) = ( 0.6171875 -0.0676582 0.4210060), wk = 0.0034364 k( 200) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0034364 k( 201) = ( 0.6015625 -0.0586371 0.4465216), wk = 0.0034364 k( 202) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0034364 k( 203) = ( 0.5859375 -0.0496160 0.4720371), wk = 0.0034364 k( 204) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0034364 k( 205) = ( 0.5703125 -0.0405949 0.4975526), wk = 0.0034364 k( 206) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0034364 k( 207) = ( 0.5546875 -0.0315738 0.5230681), wk = 0.0034364 k( 208) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0034364 k( 209) = ( 0.5390625 -0.0225527 0.5485836), wk = 0.0034364 k( 210) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0034364 k( 211) = ( 0.5234375 -0.0135316 0.5740992), wk = 0.0034364 k( 212) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0034364 k( 213) = ( 0.5078125 -0.0045105 0.5996147), wk = 0.0034364 k( 214) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034364 k( 215) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034364 k( 216) = ( 0.5000000 0.0093121 0.5992031), wk = 0.0034364 k( 217) = ( 0.5000000 0.0186242 0.5860338), wk = 0.0034364 k( 218) = ( 0.5000000 0.0279363 0.5728645), wk = 0.0034364 k( 219) = ( 0.5000000 0.0372484 0.5596952), wk = 0.0034364 k( 220) = ( 0.5000000 0.0465605 0.5465259), wk = 0.0034364 k( 221) = ( 0.5000000 0.0558726 0.5333566), wk = 0.0034364 k( 222) = ( 0.5000000 0.0651847 0.5201873), wk = 0.0034364 k( 223) = ( 0.5000000 0.0744968 0.5070180), wk = 0.0034364 k( 224) = ( 0.5000000 0.0838089 0.4938487), wk = 0.0034364 k( 225) = ( 0.5000000 0.0931210 0.4806794), wk = 0.0034364 k( 226) = ( 0.5000000 0.1024331 0.4675101), wk = 0.0034364 k( 227) = ( 0.5000000 0.1117452 0.4543408), wk = 0.0034364 k( 228) = ( 0.5000000 0.1210573 0.4411715), wk = 0.0034364 k( 229) = ( 0.5000000 0.1303694 0.4280022), wk = 0.0034364 k( 230) = ( 0.5000000 0.1396815 0.4148329), wk = 0.0034364 k( 231) = ( 0.5000000 0.1489936 0.4016636), wk = 0.0034364 k( 232) = ( 0.5000000 0.1583057 0.3884943), wk = 0.0034364 k( 233) = ( 0.5000000 0.1676178 0.3753250), wk = 0.0034364 k( 234) = ( 0.5000000 0.1769299 0.3621557), wk = 0.0034364 k( 235) = ( 0.5000000 0.1862420 0.3489864), wk = 0.0034364 k( 236) = ( 0.5000000 0.1955541 0.3358171), wk = 0.0034364 k( 237) = ( 0.5000000 0.2048662 0.3226479), wk = 0.0034364 k( 238) = ( 0.5000000 0.2141783 0.3094785), wk = 0.0034364 k( 239) = ( 0.5000000 0.2234904 0.2963092), wk = 0.0034364 k( 240) = ( 0.5000000 0.2328025 0.2831399), wk = 0.0034364 k( 241) = ( 0.5000000 0.2421146 0.2699706), wk = 0.0034364 k( 242) = ( 0.5000000 0.2514267 0.2568013), wk = 0.0034364 k( 243) = ( 0.5000000 0.2607388 0.2436320), wk = 0.0034364 k( 244) = ( 0.5000000 0.2700509 0.2304627), wk = 0.0034364 k( 245) = ( 0.5000000 0.2793630 0.2172935), wk = 0.0034364 k( 246) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034364 k( 247) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034364 k( 248) = ( 0.4953704 0.2860022 0.2192445), wk = 0.0034364 k( 249) = ( 0.4907407 0.2833293 0.2343648), wk = 0.0034364 k( 250) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0034364 k( 251) = ( 0.4814815 0.2779835 0.2646054), wk = 0.0034364 k( 252) = ( 0.4768519 0.2753105 0.2797257), wk = 0.0034364 k( 253) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0034364 k( 254) = ( 0.4675926 0.2699647 0.3099663), wk = 0.0034364 k( 255) = ( 0.4629630 0.2672918 0.3250866), wk = 0.0034364 k( 256) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0034364 k( 257) = ( 0.4537037 0.2619460 0.3553272), wk = 0.0034364 k( 258) = ( 0.4490741 0.2592730 0.3704475), wk = 0.0034364 k( 259) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0034364 k( 260) = ( 0.4398148 0.2539272 0.4006881), wk = 0.0034364 k( 261) = ( 0.4351852 0.2512543 0.4158084), wk = 0.0034364 k( 262) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0034364 k( 263) = ( 0.4259259 0.2459085 0.4460491), wk = 0.0034364 k( 264) = ( 0.4212963 0.2432355 0.4611694), wk = 0.0034364 k( 265) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0034364 k( 266) = ( 0.4120370 0.2378897 0.4914100), wk = 0.0034364 k( 267) = ( 0.4074074 0.2352168 0.5065303), wk = 0.0034364 k( 268) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0034364 k( 269) = ( 0.3981481 0.2298709 0.5367709), wk = 0.0034364 k( 270) = ( 0.3935185 0.2271980 0.5518912), wk = 0.0034364 k( 271) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0034364 k( 272) = ( 0.3842593 0.2218522 0.5821318), wk = 0.0034364 k( 273) = ( 0.3796296 0.2191793 0.5972521), wk = 0.0034364 k( 274) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034364 k( 275) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034364 k( 276) = ( 0.6171875 -0.0857004 0.4082483), wk = 0.0034364 k( 277) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0034364 k( 278) = ( 0.6015625 -0.1127637 0.4082483), wk = 0.0034364 k( 279) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0034364 k( 280) = ( 0.5859375 -0.1398270 0.4082483), wk = 0.0034364 k( 281) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0034364 k( 282) = ( 0.5703125 -0.1668903 0.4082483), wk = 0.0034364 k( 283) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0034364 k( 284) = ( 0.5546875 -0.1939536 0.4082483), wk = 0.0034364 k( 285) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0034364 k( 286) = ( 0.5390625 -0.2210169 0.4082483), wk = 0.0034364 k( 287) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0034364 k( 288) = ( 0.5234375 -0.2480802 0.4082483), wk = 0.0034364 k( 289) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0034364 k( 290) = ( 0.5078125 -0.2751435 0.4082483), wk = 0.0034364 k( 291) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0116279 0.0000000 0.0116279), wk = 0.0034364 k( 3) = ( 0.0232558 0.0000000 0.0232558), wk = 0.0034364 k( 4) = ( 0.0348837 0.0000000 0.0348837), wk = 0.0034364 k( 5) = ( 0.0465116 0.0000000 0.0465116), wk = 0.0034364 k( 6) = ( 0.0581395 0.0000000 0.0581395), wk = 0.0034364 k( 7) = ( 0.0697674 0.0000000 0.0697674), wk = 0.0034364 k( 8) = ( 0.0813954 0.0000000 0.0813954), wk = 0.0034364 k( 9) = ( 0.0930233 0.0000000 0.0930233), wk = 0.0034364 k( 10) = ( 0.1046512 0.0000000 0.1046512), wk = 0.0034364 k( 11) = ( 0.1162791 0.0000000 0.1162791), wk = 0.0034364 k( 12) = ( 0.1279070 0.0000000 0.1279070), wk = 0.0034364 k( 13) = ( 0.1395349 0.0000000 0.1395349), wk = 0.0034364 k( 14) = ( 0.1511628 0.0000000 0.1511628), wk = 0.0034364 k( 15) = ( 0.1627907 0.0000000 0.1627907), wk = 0.0034364 k( 16) = ( 0.1744186 0.0000000 0.1744186), wk = 0.0034364 k( 17) = ( 0.1860465 0.0000000 0.1860465), wk = 0.0034364 k( 18) = ( 0.1976744 0.0000000 0.1976744), wk = 0.0034364 k( 19) = ( 0.2093023 0.0000000 0.2093023), wk = 0.0034364 k( 20) = ( 0.2209302 0.0000000 0.2209302), wk = 0.0034364 k( 21) = ( 0.2325581 0.0000000 0.2325581), wk = 0.0034364 k( 22) = ( 0.2441860 0.0000000 0.2441860), wk = 0.0034364 k( 23) = ( 0.2558140 0.0000000 0.2558140), wk = 0.0034364 k( 24) = ( 0.2674419 0.0000000 0.2674419), wk = 0.0034364 k( 25) = ( 0.2790698 0.0000000 0.2790698), wk = 0.0034364 k( 26) = ( 0.2906977 0.0000000 0.2906977), wk = 0.0034364 k( 27) = ( 0.3023256 0.0000000 0.3023256), wk = 0.0034364 k( 28) = ( 0.3139535 0.0000000 0.3139535), wk = 0.0034364 k( 29) = ( 0.3255814 0.0000000 0.3255814), wk = 0.0034364 k( 30) = ( 0.3372093 0.0000000 0.3372093), wk = 0.0034364 k( 31) = ( 0.3488372 0.0000000 0.3488372), wk = 0.0034364 k( 32) = ( 0.3604651 0.0000000 0.3604651), wk = 0.0034364 k( 33) = ( 0.3720930 0.0000000 0.3720930), wk = 0.0034364 k( 34) = ( 0.3837209 0.0000000 0.3837209), wk = 0.0034364 k( 35) = ( 0.3953488 0.0000000 0.3953488), wk = 0.0034364 k( 36) = ( 0.4069767 0.0000000 0.4069767), wk = 0.0034364 k( 37) = ( 0.4186047 0.0000000 0.4186047), wk = 0.0034364 k( 38) = ( 0.4302326 0.0000000 0.4302326), wk = 0.0034364 k( 39) = ( 0.4418605 0.0000000 0.4418605), wk = 0.0034364 k( 40) = ( 0.4534884 -0.0000000 0.4534884), wk = 0.0034364 k( 41) = ( 0.4651163 0.0000000 0.4651163), wk = 0.0034364 k( 42) = ( 0.4767442 0.0000000 0.4767442), wk = 0.0034364 k( 43) = ( 0.4883721 -0.0000000 0.4883721), wk = 0.0034364 k( 44) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034364 k( 45) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034364 k( 46) = ( 0.5000000 0.0113636 0.5113636), wk = 0.0034364 k( 47) = ( 0.5000000 0.0227273 0.5227273), wk = 0.0034364 k( 48) = ( 0.5000000 0.0340909 0.5340909), wk = 0.0034364 k( 49) = ( 0.5000000 0.0454546 0.5454545), wk = 0.0034364 k( 50) = ( 0.5000000 0.0568182 0.5568182), wk = 0.0034364 k( 51) = ( 0.5000000 0.0681818 0.5681818), wk = 0.0034364 k( 52) = ( 0.5000000 0.0795455 0.5795455), wk = 0.0034364 k( 53) = ( 0.5000000 0.0909091 0.5909091), wk = 0.0034364 k( 54) = ( 0.5000000 0.1022727 0.6022727), wk = 0.0034364 k( 55) = ( 0.5000000 0.1136364 0.6136364), wk = 0.0034364 k( 56) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0034364 k( 57) = ( 0.5000000 0.1363636 0.6363636), wk = 0.0034364 k( 58) = ( 0.5000000 0.1477273 0.6477273), wk = 0.0034364 k( 59) = ( 0.5000000 0.1590909 0.6590909), wk = 0.0034364 k( 60) = ( 0.5000000 0.1704546 0.6704545), wk = 0.0034364 k( 61) = ( 0.5000000 0.1818182 0.6818182), wk = 0.0034364 k( 62) = ( 0.5000000 0.1931818 0.6931818), wk = 0.0034364 k( 63) = ( 0.5000000 0.2045455 0.7045455), wk = 0.0034364 k( 64) = ( 0.5000000 0.2159091 0.7159091), wk = 0.0034364 k( 65) = ( 0.5000000 0.2272727 0.7272727), wk = 0.0034364 k( 66) = ( 0.5000000 0.2386364 0.7386364), wk = 0.0034364 k( 67) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034364 k( 68) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034364 k( 69) = ( 0.4921875 0.2578125 0.7500000), wk = 0.0034364 k( 70) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0034364 k( 71) = ( 0.4765625 0.2734375 0.7500000), wk = 0.0034364 k( 72) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0034364 k( 73) = ( 0.4609375 0.2890625 0.7500000), wk = 0.0034364 k( 74) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0034364 k( 75) = ( 0.4453125 0.3046875 0.7500000), wk = 0.0034364 k( 76) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0034364 k( 77) = ( 0.4296875 0.3203125 0.7500000), wk = 0.0034364 k( 78) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0034364 k( 79) = ( 0.4140625 0.3359375 0.7500000), wk = 0.0034364 k( 80) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0034364 k( 81) = ( 0.3984375 0.3515625 0.7500000), wk = 0.0034364 k( 82) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0034364 k( 83) = ( 0.3828125 0.3671875 0.7500000), wk = 0.0034364 k( 84) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034364 k( 85) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034364 k( 86) = ( 0.3668478 0.3668478 0.7336957), wk = 0.0034364 k( 87) = ( 0.3586956 0.3586956 0.7173913), wk = 0.0034364 k( 88) = ( 0.3505435 0.3505435 0.7010870), wk = 0.0034364 k( 89) = ( 0.3423913 0.3423913 0.6847826), wk = 0.0034364 k( 90) = ( 0.3342391 0.3342391 0.6684783), wk = 0.0034364 k( 91) = ( 0.3260870 0.3260870 0.6521739), wk = 0.0034364 k( 92) = ( 0.3179348 0.3179348 0.6358696), wk = 0.0034364 k( 93) = ( 0.3097826 0.3097826 0.6195652), wk = 0.0034364 k( 94) = ( 0.3016304 0.3016304 0.6032609), wk = 0.0034364 k( 95) = ( 0.2934783 0.2934783 0.5869565), wk = 0.0034364 k( 96) = ( 0.2853261 0.2853261 0.5706522), wk = 0.0034364 k( 97) = ( 0.2771739 0.2771739 0.5543478), wk = 0.0034364 k( 98) = ( 0.2690217 0.2690217 0.5380435), wk = 0.0034364 k( 99) = ( 0.2608696 0.2608696 0.5217391), wk = 0.0034364 k( 100) = ( 0.2527174 0.2527174 0.5054348), wk = 0.0034364 k( 101) = ( 0.2445652 0.2445652 0.4891304), wk = 0.0034364 k( 102) = ( 0.2364130 0.2364130 0.4728261), wk = 0.0034364 k( 103) = ( 0.2282609 0.2282609 0.4565217), wk = 0.0034364 k( 104) = ( 0.2201087 0.2201087 0.4402174), wk = 0.0034364 k( 105) = ( 0.2119565 0.2119565 0.4239130), wk = 0.0034364 k( 106) = ( 0.2038043 0.2038043 0.4076087), wk = 0.0034364 k( 107) = ( 0.1956522 0.1956522 0.3913044), wk = 0.0034364 k( 108) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0034364 k( 109) = ( 0.1793478 0.1793478 0.3586956), wk = 0.0034364 k( 110) = ( 0.1711957 0.1711957 0.3423913), wk = 0.0034364 k( 111) = ( 0.1630435 0.1630435 0.3260870), wk = 0.0034364 k( 112) = ( 0.1548913 0.1548913 0.3097826), wk = 0.0034364 k( 113) = ( 0.1467391 0.1467391 0.2934783), wk = 0.0034364 k( 114) = ( 0.1385870 0.1385870 0.2771739), wk = 0.0034364 k( 115) = ( 0.1304348 0.1304348 0.2608696), wk = 0.0034364 k( 116) = ( 0.1222826 0.1222826 0.2445652), wk = 0.0034364 k( 117) = ( 0.1141304 0.1141304 0.2282609), wk = 0.0034364 k( 118) = ( 0.1059783 0.1059783 0.2119565), wk = 0.0034364 k( 119) = ( 0.0978261 0.0978261 0.1956522), wk = 0.0034364 k( 120) = ( 0.0896739 0.0896739 0.1793478), wk = 0.0034364 k( 121) = ( 0.0815217 0.0815217 0.1630435), wk = 0.0034364 k( 122) = ( 0.0733696 0.0733696 0.1467391), wk = 0.0034364 k( 123) = ( 0.0652174 0.0652174 0.1304348), wk = 0.0034364 k( 124) = ( 0.0570652 0.0570652 0.1141304), wk = 0.0034364 k( 125) = ( 0.0489130 0.0489130 0.0978261), wk = 0.0034364 k( 126) = ( 0.0407609 0.0407609 0.0815217), wk = 0.0034364 k( 127) = ( 0.0326087 0.0326087 0.0652174), wk = 0.0034364 k( 128) = ( 0.0244565 0.0244565 0.0489130), wk = 0.0034364 k( 129) = ( 0.0163043 0.0163043 0.0326087), wk = 0.0034364 k( 130) = ( 0.0081522 0.0081522 0.0163043), wk = 0.0034364 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 133) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0034364 k( 134) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0034364 k( 135) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0034364 k( 136) = ( 0.0540540 0.0540540 0.0540540), wk = 0.0034364 k( 137) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0034364 k( 138) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0034364 k( 139) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0034364 k( 140) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0034364 k( 141) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0034364 k( 142) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0034364 k( 143) = ( 0.1486486 0.1486486 0.1486486), wk = 0.0034364 k( 144) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0034364 k( 145) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0034364 k( 146) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0034364 k( 147) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0034364 k( 148) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0034364 k( 149) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0034364 k( 150) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0034364 k( 151) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0034364 k( 152) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0034364 k( 153) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0034364 k( 154) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0034364 k( 155) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0034364 k( 156) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0034364 k( 157) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0034364 k( 158) = ( 0.3513514 0.3513514 0.3513514), wk = 0.0034364 k( 159) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0034364 k( 160) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0034364 k( 161) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0034364 k( 162) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0034364 k( 163) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0034364 k( 164) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0034364 k( 165) = ( 0.4459459 0.4459459 0.4459459), wk = 0.0034364 k( 166) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0034364 k( 167) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0034364 k( 168) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0034364 k( 169) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 170) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 171) = ( 0.5046296 0.4907407 0.5046296), wk = 0.0034364 k( 172) = ( 0.5092593 0.4814815 0.5092593), wk = 0.0034364 k( 173) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0034364 k( 174) = ( 0.5185185 0.4629630 0.5185185), wk = 0.0034364 k( 175) = ( 0.5231482 0.4537037 0.5231482), wk = 0.0034364 k( 176) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0034364 k( 177) = ( 0.5324074 0.4351852 0.5324074), wk = 0.0034364 k( 178) = ( 0.5370370 0.4259259 0.5370370), wk = 0.0034364 k( 179) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0034364 k( 180) = ( 0.5462963 0.4074074 0.5462963), wk = 0.0034364 k( 181) = ( 0.5509259 0.3981481 0.5509259), wk = 0.0034364 k( 182) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0034364 k( 183) = ( 0.5601852 0.3796296 0.5601852), wk = 0.0034364 k( 184) = ( 0.5648148 0.3703704 0.5648148), wk = 0.0034364 k( 185) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0034364 k( 186) = ( 0.5740741 0.3518519 0.5740741), wk = 0.0034364 k( 187) = ( 0.5787037 0.3425926 0.5787037), wk = 0.0034364 k( 188) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0034364 k( 189) = ( 0.5879630 0.3240741 0.5879630), wk = 0.0034364 k( 190) = ( 0.5925926 0.3148148 0.5925926), wk = 0.0034364 k( 191) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0034364 k( 192) = ( 0.6018518 0.2962963 0.6018518), wk = 0.0034364 k( 193) = ( 0.6064815 0.2870370 0.6064815), wk = 0.0034364 k( 194) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0034364 k( 195) = ( 0.6157407 0.2685185 0.6157407), wk = 0.0034364 k( 196) = ( 0.6203704 0.2592593 0.6203704), wk = 0.0034364 k( 197) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034364 k( 198) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034364 k( 199) = ( 0.6171875 0.2500000 0.6328125), wk = 0.0034364 k( 200) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0034364 k( 201) = ( 0.6015625 0.2500000 0.6484375), wk = 0.0034364 k( 202) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0034364 k( 203) = ( 0.5859375 0.2500000 0.6640625), wk = 0.0034364 k( 204) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0034364 k( 205) = ( 0.5703125 0.2500000 0.6796875), wk = 0.0034364 k( 206) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0034364 k( 207) = ( 0.5546875 0.2500000 0.6953125), wk = 0.0034364 k( 208) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0034364 k( 209) = ( 0.5390625 0.2500000 0.7109375), wk = 0.0034364 k( 210) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0034364 k( 211) = ( 0.5234375 0.2500000 0.7265625), wk = 0.0034364 k( 212) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0034364 k( 213) = ( 0.5078125 0.2500000 0.7421875), wk = 0.0034364 k( 214) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034364 k( 215) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034364 k( 216) = ( 0.5000000 0.2580645 0.7419355), wk = 0.0034364 k( 217) = ( 0.5000000 0.2661290 0.7338710), wk = 0.0034364 k( 218) = ( 0.5000000 0.2741936 0.7258064), wk = 0.0034364 k( 219) = ( 0.5000000 0.2822581 0.7177419), wk = 0.0034364 k( 220) = ( 0.5000000 0.2903226 0.7096774), wk = 0.0034364 k( 221) = ( 0.5000000 0.2983871 0.7016129), wk = 0.0034364 k( 222) = ( 0.5000000 0.3064516 0.6935484), wk = 0.0034364 k( 223) = ( 0.5000000 0.3145161 0.6854839), wk = 0.0034364 k( 224) = ( 0.5000000 0.3225807 0.6774193), wk = 0.0034364 k( 225) = ( 0.5000000 0.3306452 0.6693548), wk = 0.0034364 k( 226) = ( 0.5000000 0.3387097 0.6612903), wk = 0.0034364 k( 227) = ( 0.5000000 0.3467742 0.6532258), wk = 0.0034364 k( 228) = ( 0.5000000 0.3548387 0.6451613), wk = 0.0034364 k( 229) = ( 0.5000000 0.3629032 0.6370968), wk = 0.0034364 k( 230) = ( 0.5000000 0.3709677 0.6290323), wk = 0.0034364 k( 231) = ( 0.5000000 0.3790323 0.6209677), wk = 0.0034364 k( 232) = ( 0.5000000 0.3870968 0.6129032), wk = 0.0034364 k( 233) = ( 0.5000000 0.3951613 0.6048387), wk = 0.0034364 k( 234) = ( 0.5000000 0.4032258 0.5967742), wk = 0.0034364 k( 235) = ( 0.5000000 0.4112903 0.5887097), wk = 0.0034364 k( 236) = ( 0.5000000 0.4193548 0.5806452), wk = 0.0034364 k( 237) = ( 0.5000000 0.4274193 0.5725807), wk = 0.0034364 k( 238) = ( 0.5000000 0.4354839 0.5645161), wk = 0.0034364 k( 239) = ( 0.5000000 0.4435484 0.5564516), wk = 0.0034364 k( 240) = ( 0.5000000 0.4516129 0.5483871), wk = 0.0034364 k( 241) = ( 0.5000000 0.4596774 0.5403226), wk = 0.0034364 k( 242) = ( 0.5000000 0.4677419 0.5322581), wk = 0.0034364 k( 243) = ( 0.5000000 0.4758064 0.5241936), wk = 0.0034364 k( 244) = ( 0.5000000 0.4838710 0.5161290), wk = 0.0034364 k( 245) = ( 0.5000000 0.4919355 0.5080645), wk = 0.0034364 k( 246) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 247) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034364 k( 248) = ( 0.4953704 0.4953704 0.5092593), wk = 0.0034364 k( 249) = ( 0.4907407 0.4907407 0.5185185), wk = 0.0034364 k( 250) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0034364 k( 251) = ( 0.4814815 0.4814815 0.5370370), wk = 0.0034364 k( 252) = ( 0.4768519 0.4768518 0.5462963), wk = 0.0034364 k( 253) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0034364 k( 254) = ( 0.4675926 0.4675926 0.5648148), wk = 0.0034364 k( 255) = ( 0.4629630 0.4629630 0.5740741), wk = 0.0034364 k( 256) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0034364 k( 257) = ( 0.4537037 0.4537037 0.5925926), wk = 0.0034364 k( 258) = ( 0.4490741 0.4490741 0.6018518), wk = 0.0034364 k( 259) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0034364 k( 260) = ( 0.4398148 0.4398148 0.6203704), wk = 0.0034364 k( 261) = ( 0.4351852 0.4351852 0.6296296), wk = 0.0034364 k( 262) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0034364 k( 263) = ( 0.4259259 0.4259259 0.6481482), wk = 0.0034364 k( 264) = ( 0.4212963 0.4212963 0.6574074), wk = 0.0034364 k( 265) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0034364 k( 266) = ( 0.4120370 0.4120370 0.6759259), wk = 0.0034364 k( 267) = ( 0.4074074 0.4074074 0.6851852), wk = 0.0034364 k( 268) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0034364 k( 269) = ( 0.3981481 0.3981481 0.7037037), wk = 0.0034364 k( 270) = ( 0.3935185 0.3935185 0.7129630), wk = 0.0034364 k( 271) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0034364 k( 272) = ( 0.3842593 0.3842593 0.7314815), wk = 0.0034364 k( 273) = ( 0.3796296 0.3796296 0.7407407), wk = 0.0034364 k( 274) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034364 k( 275) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034364 k( 276) = ( 0.6171875 0.2343750 0.6171875), wk = 0.0034364 k( 277) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0034364 k( 278) = ( 0.6015625 0.2031250 0.6015625), wk = 0.0034364 k( 279) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0034364 k( 280) = ( 0.5859375 0.1718750 0.5859375), wk = 0.0034364 k( 281) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0034364 k( 282) = ( 0.5703125 0.1406250 0.5703125), wk = 0.0034364 k( 283) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0034364 k( 284) = ( 0.5546875 0.1093750 0.5546875), wk = 0.0034364 k( 285) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0034364 k( 286) = ( 0.5390625 0.0781250 0.5390625), wk = 0.0034364 k( 287) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0034364 k( 288) = ( 0.5234375 0.0468750 0.5234375), wk = 0.0034364 k( 289) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0034364 k( 290) = ( 0.5078125 0.0156250 0.5078125), wk = 0.0034364 k( 291) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034364 Dense grid: 53377 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 24045 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 180, 32) NL pseudopotentials 0.14 Mb ( 90, 102) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1483) G-vector shells 0.00 Mb ( 381) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 180, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.10 Mb ( 102, 2, 32) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./K2S.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.3 secs Computing kpt #: 9 total cpu time spent up to now is 5.8 secs Computing kpt #: 10 total cpu time spent up to now is 6.2 secs Computing kpt #: 11 total cpu time spent up to now is 6.6 secs Computing kpt #: 12 total cpu time spent up to now is 7.1 secs Computing kpt #: 13 total cpu time spent up to now is 7.5 secs Computing kpt #: 14 total cpu time spent up to now is 8.0 secs Computing kpt #: 15 total cpu time spent up to now is 8.5 secs Computing kpt #: 16 total cpu time spent up to now is 8.8 secs Computing kpt #: 17 total cpu time spent up to now is 9.1 secs Computing kpt #: 18 total cpu time spent up to now is 9.4 secs Computing kpt #: 19 total cpu time spent up to now is 9.7 secs Computing kpt #: 20 total cpu time spent up to now is 10.0 secs Computing kpt #: 21 total cpu time spent up to now is 10.3 secs Computing kpt #: 22 total cpu time spent up to now is 10.6 secs Computing kpt #: 23 total cpu time spent up to now is 10.9 secs Computing kpt #: 24 total cpu time spent up to now is 11.2 secs Computing kpt #: 25 total cpu time spent up to now is 11.5 secs Computing kpt #: 26 total cpu time spent up to now is 12.0 secs Computing kpt #: 27 total cpu time spent up to now is 12.4 secs Computing kpt #: 28 total cpu time spent up to now is 12.8 secs Computing kpt #: 29 total cpu time spent up to now is 13.2 secs Computing kpt #: 30 total cpu time spent up to now is 13.5 secs Computing kpt #: 31 total cpu time spent up to now is 13.8 secs Computing kpt #: 32 total cpu time spent up to now is 14.1 secs Computing kpt #: 33 total cpu time spent up to now is 14.4 secs Computing kpt #: 34 total cpu time spent up to now is 14.7 secs Computing kpt #: 35 total cpu time spent up to now is 15.0 secs Computing kpt #: 36 total cpu time spent up to now is 15.3 secs Computing kpt #: 37 total cpu time spent up to now is 15.7 secs Computing kpt #: 38 total cpu time spent up to now is 16.0 secs Computing kpt #: 39 total cpu time spent up to now is 16.3 secs Computing kpt #: 40 total cpu time spent up to now is 16.6 secs Computing kpt #: 41 total cpu time spent up to now is 16.9 secs Computing kpt #: 42 total cpu time spent up to now is 17.3 secs Computing kpt #: 43 total cpu time spent up to now is 17.6 secs Computing kpt #: 44 total cpu time spent up to now is 17.9 secs Computing kpt #: 45 total cpu time spent up to now is 18.2 secs Computing kpt #: 46 total cpu time spent up to now is 18.5 secs Computing kpt #: 47 total cpu time spent up to now is 18.8 secs Computing kpt #: 48 total cpu time spent up to now is 19.1 secs Computing kpt #: 49 total cpu time spent up to now is 19.5 secs Computing kpt #: 50 total cpu time spent up to now is 19.8 secs Computing kpt #: 51 total cpu time spent up to now is 20.1 secs Computing kpt #: 52 total cpu time spent up to now is 20.4 secs Computing kpt #: 53 total cpu time spent up to now is 20.8 secs Computing kpt #: 54 total cpu time spent up to now is 21.1 secs Computing kpt #: 55 total cpu time spent up to now is 21.5 secs Computing kpt #: 56 total cpu time spent up to now is 21.8 secs Computing kpt #: 57 total cpu time spent up to now is 22.2 secs Computing kpt #: 58 total cpu time spent up to now is 22.6 secs Computing kpt #: 59 total cpu time spent up to now is 23.0 secs Computing kpt #: 60 total cpu time spent up to now is 23.3 secs Computing kpt #: 61 total cpu time spent up to now is 23.6 secs Computing kpt #: 62 total cpu time spent up to now is 23.9 secs Computing kpt #: 63 total cpu time spent up to now is 24.2 secs Computing kpt #: 64 total cpu time spent up to now is 24.5 secs Computing kpt #: 65 total cpu time spent up to now is 24.7 secs Computing kpt #: 66 total cpu time spent up to now is 25.0 secs Computing kpt #: 67 total cpu time spent up to now is 25.2 secs Computing kpt #: 68 total cpu time spent up to now is 25.5 secs Computing kpt #: 69 total cpu time spent up to now is 25.8 secs Computing kpt #: 70 total cpu time spent up to now is 26.0 secs Computing kpt #: 71 total cpu time spent up to now is 26.3 secs Computing kpt #: 72 total cpu time spent up to now is 26.6 secs Computing kpt #: 73 total cpu time spent up to now is 26.9 secs Computing kpt #: 74 total cpu time spent up to now is 27.2 secs Computing kpt #: 75 total cpu time spent up to now is 27.5 secs Computing kpt #: 76 total cpu time spent up to now is 27.8 secs Computing kpt #: 77 total cpu time spent up to now is 28.1 secs Computing kpt #: 78 total cpu time spent up to now is 28.4 secs Computing kpt #: 79 total cpu time spent up to now is 28.7 secs Computing kpt #: 80 total cpu time spent up to now is 29.0 secs Computing kpt #: 81 total cpu time spent up to now is 29.3 secs Computing kpt #: 82 total cpu time spent up to now is 29.6 secs Computing kpt #: 83 total cpu time spent up to now is 29.8 secs Computing kpt #: 84 total cpu time spent up to now is 30.1 secs Computing kpt #: 85 total cpu time spent up to now is 30.4 secs Computing kpt #: 86 total cpu time spent up to now is 30.7 secs Computing kpt #: 87 total cpu time spent up to now is 31.0 secs Computing kpt #: 88 total cpu time spent up to now is 31.3 secs Computing kpt #: 89 total cpu time spent up to now is 31.5 secs Computing kpt #: 90 total cpu time spent up to now is 31.8 secs Computing kpt #: 91 total cpu time spent up to now is 32.0 secs Computing kpt #: 92 total cpu time spent up to now is 32.3 secs Computing kpt #: 93 total cpu time spent up to now is 32.5 secs Computing kpt #: 94 total cpu time spent up to now is 32.8 secs Computing kpt #: 95 total cpu time spent up to now is 33.0 secs Computing kpt #: 96 total cpu time spent up to now is 33.3 secs Computing kpt #: 97 total cpu time spent up to now is 33.5 secs Computing kpt #: 98 total cpu time spent up to now is 33.8 secs Computing kpt #: 99 total cpu time spent up to now is 34.0 secs Computing kpt #: 100 total cpu time spent up to now is 34.3 secs Computing kpt #: 101 total cpu time spent up to now is 34.6 secs Computing kpt #: 102 total cpu time spent up to now is 34.9 secs Computing kpt #: 103 total cpu time spent up to now is 35.2 secs Computing kpt #: 104 total cpu time spent up to now is 35.5 secs Computing kpt #: 105 total cpu time spent up to now is 35.8 secs Computing kpt #: 106 total cpu time spent up to now is 36.1 secs Computing kpt #: 107 total cpu time spent up to now is 36.5 secs Computing kpt #: 108 total cpu time spent up to now is 36.8 secs Computing kpt #: 109 total cpu time spent up to now is 37.2 secs Computing kpt #: 110 total cpu time spent up to now is 37.5 secs Computing kpt #: 111 total cpu time spent up to now is 37.8 secs Computing kpt #: 112 total cpu time spent up to now is 38.1 secs Computing kpt #: 113 total cpu time spent up to now is 38.5 secs Computing kpt #: 114 total cpu time spent up to now is 38.8 secs Computing kpt #: 115 total cpu time spent up to now is 39.1 secs Computing kpt #: 116 total cpu time spent up to now is 39.4 secs Computing kpt #: 117 total cpu time spent up to now is 39.7 secs Computing kpt #: 118 total cpu time spent up to now is 40.1 secs Computing kpt #: 119 total cpu time spent up to now is 40.4 secs Computing kpt #: 120 total cpu time spent up to now is 40.7 secs Computing kpt #: 121 total cpu time spent up to now is 41.1 secs Computing kpt #: 122 total cpu time spent up to now is 41.4 secs Computing kpt #: 123 total cpu time spent up to now is 41.8 secs Computing kpt #: 124 total cpu time spent up to now is 42.1 secs Computing kpt #: 125 total cpu time spent up to now is 42.5 secs Computing kpt #: 126 total cpu time spent up to now is 42.8 secs Computing kpt #: 127 total cpu time spent up to now is 43.2 secs Computing kpt #: 128 total cpu time spent up to now is 43.6 secs Computing kpt #: 129 total cpu time spent up to now is 44.1 secs Computing kpt #: 130 total cpu time spent up to now is 44.5 secs Computing kpt #: 131 total cpu time spent up to now is 45.0 secs Computing kpt #: 132 total cpu time spent up to now is 45.4 secs Computing kpt #: 133 total cpu time spent up to now is 45.8 secs Computing kpt #: 134 total cpu time spent up to now is 46.2 secs Computing kpt #: 135 total cpu time spent up to now is 46.6 secs Computing kpt #: 136 total cpu time spent up to now is 47.0 secs Computing kpt #: 137 total cpu time spent up to now is 47.3 secs Computing kpt #: 138 total cpu time spent up to now is 47.7 secs Computing kpt #: 139 total cpu time spent up to now is 48.0 secs Computing kpt #: 140 total cpu time spent up to now is 48.3 secs Computing kpt #: 141 total cpu time spent up to now is 48.7 secs Computing kpt #: 142 total cpu time spent up to now is 49.0 secs Computing kpt #: 143 total cpu time spent up to now is 49.3 secs Computing kpt #: 144 total cpu time spent up to now is 49.6 secs Computing kpt #: 145 total cpu time spent up to now is 49.9 secs Computing kpt #: 146 total cpu time spent up to now is 50.2 secs Computing kpt #: 147 total cpu time spent up to now is 50.5 secs Computing kpt #: 148 total cpu time spent up to now is 50.7 secs Computing kpt #: 149 total cpu time spent up to now is 51.0 secs Computing kpt #: 150 total cpu time spent up to now is 51.2 secs Computing kpt #: 151 total cpu time spent up to now is 51.5 secs Computing kpt #: 152 total cpu time spent up to now is 51.8 secs Computing kpt #: 153 total cpu time spent up to now is 52.0 secs Computing kpt #: 154 total cpu time spent up to now is 52.3 secs Computing kpt #: 155 total cpu time spent up to now is 52.6 secs Computing kpt #: 156 total cpu time spent up to now is 52.8 secs Computing kpt #: 157 total cpu time spent up to now is 53.1 secs Computing kpt #: 158 total cpu time spent up to now is 53.3 secs Computing kpt #: 159 total cpu time spent up to now is 53.6 secs Computing kpt #: 160 total cpu time spent up to now is 53.9 secs Computing kpt #: 161 total cpu time spent up to now is 54.1 secs Computing kpt #: 162 total cpu time spent up to now is 54.4 secs Computing kpt #: 163 total cpu time spent up to now is 54.7 secs Computing kpt #: 164 total cpu time spent up to now is 55.0 secs Computing kpt #: 165 total cpu time spent up to now is 55.3 secs Computing kpt #: 166 total cpu time spent up to now is 55.6 secs Computing kpt #: 167 total cpu time spent up to now is 55.9 secs Computing kpt #: 168 total cpu time spent up to now is 56.1 secs Computing kpt #: 169 total cpu time spent up to now is 56.4 secs Computing kpt #: 170 total cpu time spent up to now is 56.7 secs Computing kpt #: 171 total cpu time spent up to now is 56.9 secs Computing kpt #: 172 total cpu time spent up to now is 57.2 secs Computing kpt #: 173 total cpu time spent up to now is 57.4 secs Computing kpt #: 174 total cpu time spent up to now is 57.7 secs Computing kpt #: 175 total cpu time spent up to now is 57.9 secs Computing kpt #: 176 total cpu time spent up to now is 58.2 secs Computing kpt #: 177 total cpu time spent up to now is 58.4 secs Computing kpt #: 178 total cpu time spent up to now is 58.6 secs Computing kpt #: 179 total cpu time spent up to now is 58.9 secs Computing kpt #: 180 total cpu time spent up to now is 59.2 secs Computing kpt #: 181 total cpu time spent up to now is 59.4 secs Computing kpt #: 182 total cpu time spent up to now is 59.7 secs Computing kpt #: 183 total cpu time spent up to now is 59.9 secs Computing kpt #: 184 total cpu time spent up to now is 60.2 secs Computing kpt #: 185 total cpu time spent up to now is 60.4 secs Computing kpt #: 186 total cpu time spent up to now is 60.7 secs Computing kpt #: 187 total cpu time spent up to now is 61.0 secs Computing kpt #: 188 total cpu time spent up to now is 61.3 secs Computing kpt #: 189 total cpu time spent up to now is 61.5 secs Computing kpt #: 190 total cpu time spent up to now is 61.8 secs Computing kpt #: 191 total cpu time spent up to now is 62.1 secs Computing kpt #: 192 total cpu time spent up to now is 62.4 secs Computing kpt #: 193 total cpu time spent up to now is 62.7 secs Computing kpt #: 194 total cpu time spent up to now is 63.0 secs Computing kpt #: 195 total cpu time spent up to now is 63.3 secs Computing kpt #: 196 total cpu time spent up to now is 63.6 secs Computing kpt #: 197 total cpu time spent up to now is 63.9 secs Computing kpt #: 198 total cpu time spent up to now is 64.2 secs Computing kpt #: 199 total cpu time spent up to now is 64.5 secs Computing kpt #: 200 total cpu time spent up to now is 64.8 secs Computing kpt #: 201 total cpu time spent up to now is 65.1 secs Computing kpt #: 202 total cpu time spent up to now is 65.4 secs Computing kpt #: 203 total cpu time spent up to now is 65.7 secs Computing kpt #: 204 total cpu time spent up to now is 66.0 secs Computing kpt #: 205 total cpu time spent up to now is 66.3 secs Computing kpt #: 206 total cpu time spent up to now is 66.6 secs Computing kpt #: 207 total cpu time spent up to now is 66.9 secs Computing kpt #: 208 total cpu time spent up to now is 67.2 secs Computing kpt #: 209 total cpu time spent up to now is 67.5 secs Computing kpt #: 210 total cpu time spent up to now is 67.7 secs Computing kpt #: 211 total cpu time spent up to now is 68.0 secs Computing kpt #: 212 total cpu time spent up to now is 68.3 secs Computing kpt #: 213 total cpu time spent up to now is 68.6 secs Computing kpt #: 214 total cpu time spent up to now is 68.9 secs Computing kpt #: 215 total cpu time spent up to now is 69.1 secs Computing kpt #: 216 total cpu time spent up to now is 69.4 secs Computing kpt #: 217 total cpu time spent up to now is 69.7 secs Computing kpt #: 218 total cpu time spent up to now is 70.0 secs Computing kpt #: 219 total cpu time spent up to now is 70.3 secs Computing kpt #: 220 total cpu time spent up to now is 70.6 secs Computing kpt #: 221 total cpu time spent up to now is 70.9 secs Computing kpt #: 222 total cpu time spent up to now is 71.2 secs Computing kpt #: 223 total cpu time spent up to now is 71.5 secs Computing kpt #: 224 total cpu time spent up to now is 71.8 secs Computing kpt #: 225 total cpu time spent up to now is 72.1 secs Computing kpt #: 226 total cpu time spent up to now is 72.3 secs Computing kpt #: 227 total cpu time spent up to now is 72.6 secs Computing kpt #: 228 total cpu time spent up to now is 72.9 secs Computing kpt #: 229 total cpu time spent up to now is 73.2 secs Computing kpt #: 230 total cpu time spent up to now is 73.5 secs Computing kpt #: 231 total cpu time spent up to now is 73.7 secs Computing kpt #: 232 total cpu time spent up to now is 74.0 secs Computing kpt #: 233 total cpu time spent up to now is 74.3 secs Computing kpt #: 234 total cpu time spent up to now is 74.5 secs Computing kpt #: 235 total cpu time spent up to now is 74.8 secs Computing kpt #: 236 total cpu time spent up to now is 76.4 secs Computing kpt #: 237 total cpu time spent up to now is 76.6 secs Computing kpt #: 238 total cpu time spent up to now is 76.9 secs Computing kpt #: 239 total cpu time spent up to now is 77.1 secs Computing kpt #: 240 total cpu time spent up to now is 77.4 secs Computing kpt #: 241 total cpu time spent up to now is 77.6 secs Computing kpt #: 242 total cpu time spent up to now is 77.8 secs Computing kpt #: 243 total cpu time spent up to now is 78.1 secs Computing kpt #: 244 total cpu time spent up to now is 78.3 secs Computing kpt #: 245 total cpu time spent up to now is 78.6 secs Computing kpt #: 246 total cpu time spent up to now is 78.9 secs Computing kpt #: 247 total cpu time spent up to now is 79.2 secs Computing kpt #: 248 total cpu time spent up to now is 79.5 secs Computing kpt #: 249 total cpu time spent up to now is 79.7 secs Computing kpt #: 250 total cpu time spent up to now is 80.0 secs Computing kpt #: 251 total cpu time spent up to now is 80.2 secs Computing kpt #: 252 total cpu time spent up to now is 80.5 secs Computing kpt #: 253 total cpu time spent up to now is 80.7 secs Computing kpt #: 254 total cpu time spent up to now is 81.0 secs Computing kpt #: 255 total cpu time spent up to now is 81.2 secs Computing kpt #: 256 total cpu time spent up to now is 81.5 secs Computing kpt #: 257 total cpu time spent up to now is 81.7 secs Computing kpt #: 258 total cpu time spent up to now is 82.0 secs Computing kpt #: 259 total cpu time spent up to now is 82.2 secs Computing kpt #: 260 total cpu time spent up to now is 82.5 secs Computing kpt #: 261 total cpu time spent up to now is 82.7 secs Computing kpt #: 262 total cpu time spent up to now is 83.0 secs Computing kpt #: 263 total cpu time spent up to now is 83.3 secs Computing kpt #: 264 total cpu time spent up to now is 83.5 secs Computing kpt #: 265 total cpu time spent up to now is 83.8 secs Computing kpt #: 266 total cpu time spent up to now is 84.1 secs Computing kpt #: 267 total cpu time spent up to now is 84.4 secs Computing kpt #: 268 total cpu time spent up to now is 84.7 secs Computing kpt #: 269 total cpu time spent up to now is 85.0 secs Computing kpt #: 270 total cpu time spent up to now is 85.3 secs Computing kpt #: 271 total cpu time spent up to now is 85.6 secs Computing kpt #: 272 total cpu time spent up to now is 85.9 secs Computing kpt #: 273 total cpu time spent up to now is 86.2 secs Computing kpt #: 274 total cpu time spent up to now is 86.5 secs Computing kpt #: 275 total cpu time spent up to now is 86.8 secs Computing kpt #: 276 total cpu time spent up to now is 87.1 secs Computing kpt #: 277 total cpu time spent up to now is 87.5 secs Computing kpt #: 278 total cpu time spent up to now is 87.8 secs Computing kpt #: 279 total cpu time spent up to now is 88.1 secs Computing kpt #: 280 total cpu time spent up to now is 88.5 secs Computing kpt #: 281 total cpu time spent up to now is 88.8 secs Computing kpt #: 282 total cpu time spent up to now is 89.1 secs Computing kpt #: 283 total cpu time spent up to now is 89.5 secs Computing kpt #: 284 total cpu time spent up to now is 89.8 secs Computing kpt #: 285 total cpu time spent up to now is 90.1 secs Computing kpt #: 286 total cpu time spent up to now is 90.4 secs Computing kpt #: 287 total cpu time spent up to now is 90.8 secs Computing kpt #: 288 total cpu time spent up to now is 91.1 secs Computing kpt #: 289 total cpu time spent up to now is 91.4 secs Computing kpt #: 290 total cpu time spent up to now is 91.7 secs Computing kpt #: 291 total cpu time spent up to now is 92.0 secs ethr = 4.17E-08, avg # of iterations = 24.8 total cpu time spent up to now is 92.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2975 PWs) bands (ev): -26.4943 -26.4943 -26.4100 -26.4100 -10.2662 -10.2662 -10.0312 -10.0312 -10.0068 -10.0068 -10.0068 -10.0068 -9.7625 -9.7625 -9.7625 -9.7625 -6.9065 -6.9065 2.4621 2.4621 2.5276 2.5276 2.5276 2.5276 5.1073 5.1073 8.1730 8.1730 8.1730 8.1730 10.1734 10.1734 k = 0.0116-0.0067 0.0095 ( 2999 PWs) bands (ev): -26.4943 -26.4943 -26.4101 -26.4101 -10.2662 -10.2662 -10.0314 -10.0314 -10.0069 -10.0069 -10.0067 -10.0067 -9.7630 -9.7630 -9.7625 -9.7625 -6.9062 -6.9062 2.4618 2.4618 2.5266 2.5266 2.5279 2.5279 5.1114 5.1114 8.1724 8.1724 8.1741 8.1741 10.1725 10.1725 k = 0.0233-0.0134 0.0190 ( 3007 PWs) bands (ev): -26.4942 -26.4942 -26.4103 -26.4103 -10.2660 -10.2660 -10.0319 -10.0319 -10.0072 -10.0072 -10.0059 -10.0059 -9.7643 -9.7643 -9.7623 -9.7623 -6.9050 -6.9050 2.4606 2.4606 2.5238 2.5238 2.5287 2.5287 5.1238 5.1238 8.1704 8.1704 8.1773 8.1773 10.1695 10.1695 k = 0.0349-0.0201 0.0285 ( 3019 PWs) bands (ev): -26.4940 -26.4940 -26.4105 -26.4105 -10.2656 -10.2656 -10.0328 -10.0328 -10.0076 -10.0076 -10.0047 -10.0047 -9.7664 -9.7664 -9.7621 -9.7621 -6.9030 -6.9030 2.4581 2.4581 2.5197 2.5197 2.5301 2.5301 5.1441 5.1441 8.1670 8.1670 8.1826 8.1826 10.1638 10.1638 k = 0.0465-0.0269 0.0380 ( 3023 PWs) bands (ev): -26.4937 -26.4937 -26.4108 -26.4108 -10.2651 -10.2651 -10.0342 -10.0342 -10.0082 -10.0082 -10.0030 -10.0030 -9.7694 -9.7694 -9.7617 -9.7617 -6.9003 -6.9003 2.4536 2.4536 2.5154 2.5154 2.5321 2.5321 5.1723 5.1723 8.1619 8.1619 8.1901 8.1901 10.1549 10.1549 k = 0.0581-0.0336 0.0475 ( 3023 PWs) bands (ev): -26.4934 -26.4934 -26.4111 -26.4111 -10.2645 -10.2645 -10.0359 -10.0359 -10.0090 -10.0090 -10.0008 -10.0008 -9.7731 -9.7731 -9.7613 -9.7613 -6.8969 -6.8969 2.4461 2.4461 2.5118 2.5118 2.5346 2.5346 5.2080 5.2080 8.1549 8.1549 8.1996 8.1996 10.1431 10.1431 k = 0.0698-0.0403 0.0570 ( 3011 PWs) bands (ev): -26.4929 -26.4929 -26.4115 -26.4115 -10.2638 -10.2638 -10.0381 -10.0381 -10.0099 -10.0099 -9.9981 -9.9981 -9.7774 -9.7774 -9.7607 -9.7607 -6.8927 -6.8927 2.4352 2.4352 2.5098 2.5098 2.5376 2.5376 5.2508 5.2508 8.1455 8.1455 8.2113 8.2113 10.1294 10.1294 k = 0.0814-0.0470 0.0665 ( 3003 PWs) bands (ev): -26.4924 -26.4924 -26.4119 -26.4119 -10.2631 -10.2631 -10.0407 -10.0407 -10.0109 -10.0109 -9.9949 -9.9949 -9.7823 -9.7823 -9.7601 -9.7601 -6.8879 -6.8879 2.4209 2.4209 2.5097 2.5097 2.5411 2.5411 5.3004 5.3004 8.1336 8.1336 8.2250 8.2250 10.1153 10.1153 k = 0.0930-0.0537 0.0760 ( 3003 PWs) bands (ev): -26.4918 -26.4918 -26.4124 -26.4124 -10.2623 -10.2623 -10.0439 -10.0439 -10.0121 -10.0121 -9.9911 -9.9911 -9.7877 -9.7877 -9.7593 -9.7593 -6.8824 -6.8824 2.4038 2.4038 2.5112 2.5112 2.5450 2.5450 5.3563 5.3563 8.1186 8.1186 8.2408 8.2408 10.1022 10.1022 k = 0.1047-0.0604 0.0854 ( 3003 PWs) bands (ev): -26.4912 -26.4912 -26.4130 -26.4130 -10.2615 -10.2615 -10.0476 -10.0476 -10.0135 -10.0135 -9.9868 -9.9868 -9.7936 -9.7936 -9.7585 -9.7585 -6.8764 -6.8764 2.3845 2.3845 2.5139 2.5139 2.5495 2.5495 5.4179 5.4179 8.1004 8.1004 8.2587 8.2587 10.0912 10.0912 k = 0.1163-0.0671 0.0949 ( 3007 PWs) bands (ev): -26.4905 -26.4905 -26.4137 -26.4137 -10.2607 -10.2607 -10.0520 -10.0520 -10.0150 -10.0150 -9.9820 -9.9820 -9.7996 -9.7996 -9.7576 -9.7576 -6.8698 -6.8698 2.3635 2.3635 2.5176 2.5176 2.5543 2.5543 5.4849 5.4849 8.0785 8.0785 8.2785 8.2785 10.0835 10.0835 k = 0.1279-0.0738 0.1044 ( 3006 PWs) bands (ev): -26.4897 -26.4897 -26.4143 -26.4143 -10.2600 -10.2600 -10.0570 -10.0570 -10.0167 -10.0167 -9.9767 -9.9767 -9.8059 -9.8059 -9.7566 -9.7566 -6.8627 -6.8627 2.3415 2.3415 2.5221 2.5221 2.5596 2.5596 5.5566 5.5566 8.0531 8.0531 8.3003 8.3003 10.0799 10.0799 k = 0.1395-0.0806 0.1139 ( 2998 PWs) bands (ev): -26.4889 -26.4889 -26.4151 -26.4151 -10.2593 -10.2593 -10.0627 -10.0627 -10.0184 -10.0184 -9.9708 -9.9708 -9.8121 -9.8121 -9.7556 -9.7556 -6.8552 -6.8552 2.3187 2.3187 2.5272 2.5272 2.5652 2.5652 5.6326 5.6326 8.0240 8.0240 8.3240 8.3240 10.0811 10.0811 k = 0.1512-0.0873 0.1234 ( 2990 PWs) bands (ev): -26.4880 -26.4880 -26.4158 -26.4158 -10.2587 -10.2587 -10.0692 -10.0692 -10.0203 -10.0203 -9.9644 -9.9644 -9.8183 -9.8183 -9.7545 -9.7545 -6.8472 -6.8472 2.2956 2.2956 2.5328 2.5328 2.5712 2.5712 5.7121 5.7121 7.9916 7.9916 8.3497 8.3497 10.0877 10.0877 k = 0.1628-0.0940 0.1329 ( 2990 PWs) bands (ev): -26.4871 -26.4871 -26.4166 -26.4166 -10.2582 -10.2582 -10.0765 -10.0765 -10.0223 -10.0223 -9.9575 -9.9575 -9.8244 -9.8244 -9.7533 -9.7533 -6.8390 -6.8390 2.2724 2.2724 2.5389 2.5389 2.5774 2.5774 5.7945 5.7945 7.9564 7.9564 8.3771 8.3771 10.0624 10.0625 k = 0.1744-0.1007 0.1424 ( 2990 PWs) bands (ev): -26.4862 -26.4862 -26.4174 -26.4174 -10.2578 -10.2578 -10.0845 -10.0845 -10.0244 -10.0244 -9.9501 -9.9501 -9.8301 -9.8301 -9.7521 -9.7521 -6.8304 -6.8304 2.2493 2.2493 2.5453 2.5453 2.5839 2.5839 5.8791 5.8791 7.9189 7.9189 8.4063 8.4063 9.9482 9.9482 k = 0.1860-0.1074 0.1519 ( 2990 PWs) bands (ev): -26.4852 -26.4852 -26.4183 -26.4183 -10.2576 -10.2576 -10.0933 -10.0933 -10.0265 -10.0265 -9.9422 -9.9422 -9.8355 -9.8355 -9.7509 -9.7509 -6.8217 -6.8217 2.2266 2.2266 2.5520 2.5520 2.5907 2.5907 5.9650 5.9650 7.8803 7.8803 8.4373 8.4373 9.8339 9.8339 k = 0.1977-0.1141 0.1614 ( 3010 PWs) bands (ev): -26.4843 -26.4843 -26.4193 -26.4193 -10.2575 -10.2575 -10.1028 -10.1028 -10.0287 -10.0287 -9.9340 -9.9340 -9.8405 -9.8405 -9.7496 -9.7496 -6.8127 -6.8127 2.2045 2.2045 2.5590 2.5590 2.5976 2.5976 6.0512 6.0512 7.8416 7.8416 8.4699 8.4699 9.7202 9.7202 k = 0.2093-0.1208 0.1709 ( 3018 PWs) bands (ev): -26.4833 -26.4833 -26.4202 -26.4202 -10.2575 -10.2575 -10.1131 -10.1131 -10.0310 -10.0310 -9.9254 -9.9254 -9.8451 -9.8451 -9.7483 -9.7483 -6.8037 -6.8037 2.1830 2.1830 2.5662 2.5662 2.6047 2.6047 6.1365 6.1365 7.8045 7.8045 8.5040 8.5040 9.6075 9.6075 k = 0.2209-0.1276 0.1804 ( 3018 PWs) bands (ev): -26.4823 -26.4823 -26.4211 -26.4211 -10.2577 -10.2577 -10.1239 -10.1239 -10.0333 -10.0333 -9.9165 -9.9165 -9.8492 -9.8492 -9.7469 -9.7469 -6.7946 -6.7946 2.1624 2.1624 2.5735 2.5735 2.6118 2.6118 6.2193 6.2193 7.7708 7.7708 8.5397 8.5397 9.4964 9.4964 k = 0.2326-0.1343 0.1899 ( 3018 PWs) bands (ev): -26.4812 -26.4812 -26.4221 -26.4221 -10.2579 -10.2579 -10.1353 -10.1353 -10.0356 -10.0356 -9.9073 -9.9073 -9.8529 -9.8529 -9.7455 -9.7455 -6.7854 -6.7854 2.1426 2.1426 2.5809 2.5809 2.6190 2.6190 6.2977 6.2977 7.7426 7.7426 8.5767 8.5767 9.3874 9.3874 k = 0.2442-0.1410 0.1994 ( 3042 PWs) bands (ev): -26.4802 -26.4802 -26.4232 -26.4232 -10.2584 -10.2584 -10.1472 -10.1472 -10.0380 -10.0380 -9.8979 -9.8979 -9.8561 -9.8561 -9.7442 -9.7442 -6.7763 -6.7763 2.1239 2.1239 2.5883 2.5883 2.6263 2.6263 6.3696 6.3696 7.7226 7.7226 8.6150 8.6150 9.2807 9.2807 k = 0.2558-0.1477 0.2089 ( 3042 PWs) bands (ev): -26.4791 -26.4791 -26.4241 -26.4241 -10.2589 -10.2589 -10.1594 -10.1594 -10.0404 -10.0404 -9.8882 -9.8882 -9.8589 -9.8589 -9.7428 -9.7428 -6.7673 -6.7673 2.1062 2.1062 2.5958 2.5958 2.6335 2.6335 6.4324 6.4324 7.7135 7.7135 8.6544 8.6544 9.1768 9.1768 k = 0.2674-0.1544 0.2184 ( 3026 PWs) bands (ev): -26.4779 -26.4779 -26.4251 -26.4251 -10.2595 -10.2595 -10.1718 -10.1718 -10.0427 -10.0427 -9.8785 -9.8785 -9.8612 -9.8612 -9.7414 -9.7414 -6.7584 -6.7584 2.0896 2.0896 2.6032 2.6032 2.6407 2.6407 6.4837 6.4837 7.7182 7.7182 8.6948 8.6948 9.0760 9.0760 k = 0.2791-0.1611 0.2279 ( 3026 PWs) bands (ev): -26.4769 -26.4769 -26.4260 -26.4260 -10.2602 -10.2602 -10.1843 -10.1843 -10.0450 -10.0450 -9.8687 -9.8687 -9.8633 -9.8633 -9.7400 -9.7400 -6.7497 -6.7497 2.0741 2.0741 2.6105 2.6105 2.6478 2.6478 6.5215 6.5215 7.7387 7.7387 8.7361 8.7361 8.9785 8.9785 k = 0.2907-0.1678 0.2374 ( 3026 PWs) bands (ev): -26.4758 -26.4758 -26.4270 -26.4270 -10.2610 -10.2610 -10.1969 -10.1969 -10.0473 -10.0473 -9.8650 -9.8650 -9.8590 -9.8590 -9.7386 -9.7386 -6.7412 -6.7412 2.0597 2.0597 2.6177 2.6177 2.6547 2.6547 6.5449 6.5449 7.7763 7.7763 8.7780 8.7780 8.8847 8.8847 k = 0.3023-0.1745 0.2468 ( 3022 PWs) bands (ev): -26.4748 -26.4748 -26.4279 -26.4279 -10.2618 -10.2618 -10.2094 -10.2094 -10.0495 -10.0495 -9.8664 -9.8664 -9.8493 -9.8493 -9.7373 -9.7373 -6.7330 -6.7330 2.0465 2.0465 2.6247 2.6247 2.6615 2.6615 6.5544 6.5544 7.8307 7.8307 8.7947 8.7947 8.8205 8.8205 k = 0.3140-0.1813 0.2563 ( 3030 PWs) bands (ev): -26.4738 -26.4738 -26.4288 -26.4288 -10.2627 -10.2627 -10.2218 -10.2218 -10.0517 -10.0517 -9.8676 -9.8676 -9.8398 -9.8398 -9.7360 -9.7360 -6.7251 -6.7251 2.0344 2.0344 2.6316 2.6316 2.6680 2.6680 6.5516 6.5516 7.9002 7.9002 8.7088 8.7088 8.8632 8.8632 k = 0.3256-0.1880 0.2658 ( 3042 PWs) bands (ev): -26.4728 -26.4728 -26.4298 -26.4298 -10.2636 -10.2636 -10.2338 -10.2338 -10.0538 -10.0538 -9.8686 -9.8686 -9.8305 -9.8305 -9.7347 -9.7347 -6.7174 -6.7174 2.0233 2.0233 2.6381 2.6381 2.6744 2.6744 6.5389 6.5389 7.9827 7.9827 8.6272 8.6272 8.9060 8.9060 k = 0.3372-0.1947 0.2753 ( 3042 PWs) bands (ev): -26.4719 -26.4719 -26.4306 -26.4306 -10.2646 -10.2646 -10.2455 -10.2455 -10.0558 -10.0558 -9.8693 -9.8693 -9.8215 -9.8215 -9.7335 -9.7335 -6.7102 -6.7102 2.0133 2.0133 2.6445 2.6445 2.6805 2.6805 6.5188 6.5188 8.0755 8.0755 8.5501 8.5501 8.9485 8.9485 k = 0.3488-0.2014 0.2848 ( 3050 PWs) bands (ev): -26.4710 -26.4710 -26.4314 -26.4314 -10.2655 -10.2655 -10.2567 -10.2567 -10.0577 -10.0577 -9.8699 -9.8699 -9.8127 -9.8127 -9.7324 -9.7324 -6.7033 -6.7033 2.0043 2.0043 2.6505 2.6505 2.6862 2.6862 6.4935 6.4935 8.1764 8.1764 8.4776 8.4776 8.9906 8.9906 k = 0.3605-0.2081 0.2943 ( 3034 PWs) bands (ev): -26.4702 -26.4702 -26.4321 -26.4321 -10.2674 -10.2674 -10.2664 -10.2664 -10.0595 -10.0595 -9.8704 -9.8704 -9.8044 -9.8044 -9.7312 -9.7312 -6.6968 -6.6968 1.9963 1.9963 2.6562 2.6562 2.6917 2.6917 6.4651 6.4651 8.2831 8.2831 8.4098 8.4098 9.0318 9.0318 k = 0.3721-0.2148 0.3038 ( 3034 PWs) bands (ev): -26.4693 -26.4693 -26.4328 -26.4328 -10.2775 -10.2775 -10.2673 -10.2673 -10.0612 -10.0612 -9.8708 -9.8708 -9.7965 -9.7965 -9.7302 -9.7302 -6.6907 -6.6907 1.9892 1.9892 2.6615 2.6615 2.6968 2.6968 6.4352 6.4352 8.3470 8.3470 8.3938 8.3938 9.0719 9.0719 k = 0.3837-0.2215 0.3133 ( 3018 PWs) bands (ev): -26.4685 -26.4685 -26.4335 -26.4335 -10.2869 -10.2869 -10.2681 -10.2681 -10.0628 -10.0628 -9.8710 -9.8710 -9.7891 -9.7891 -9.7292 -9.7292 -6.6851 -6.6851 1.9829 1.9829 2.6665 2.6665 2.7016 2.7016 6.4049 6.4049 8.2893 8.2893 8.5069 8.5069 9.1105 9.1105 k = 0.3953-0.2283 0.3228 ( 3022 PWs) bands (ev): -26.4678 -26.4678 -26.4341 -26.4341 -10.2956 -10.2956 -10.2690 -10.2690 -10.0643 -10.0643 -9.8712 -9.8712 -9.7823 -9.7823 -9.7283 -9.7283 -6.6800 -6.6800 1.9775 1.9775 2.6710 2.6710 2.7059 2.7059 6.3753 6.3753 8.2367 8.2367 8.6208 8.6208 9.1471 9.1471 k = 0.4070-0.2350 0.3323 ( 3022 PWs) bands (ev): -26.4672 -26.4672 -26.4347 -26.4347 -10.3036 -10.3036 -10.2697 -10.2697 -10.0657 -10.0657 -9.8713 -9.8713 -9.7760 -9.7760 -9.7275 -9.7275 -6.6754 -6.6754 1.9728 1.9728 2.6752 2.6752 2.7099 2.7099 6.3472 6.3472 8.1893 8.1893 8.7339 8.7339 9.1815 9.1815 k = 0.4186-0.2417 0.3418 ( 3018 PWs) bands (ev): -26.4666 -26.4666 -26.4352 -26.4352 -10.3107 -10.3107 -10.2704 -10.2704 -10.0668 -10.0668 -9.8714 -9.8714 -9.7704 -9.7704 -9.7268 -9.7268 -6.6713 -6.6713 1.9688 1.9688 2.6789 2.6789 2.7134 2.7134 6.3212 6.3212 8.1474 8.1474 8.8446 8.8446 9.2132 9.2132 k = 0.4302-0.2484 0.3513 ( 3018 PWs) bands (ev): -26.4661 -26.4661 -26.4356 -26.4356 -10.3170 -10.3170 -10.2710 -10.2710 -10.0679 -10.0679 -9.8714 -9.8714 -9.7654 -9.7654 -9.7261 -9.7261 -6.6677 -6.6677 1.9655 1.9655 2.6821 2.6821 2.7165 2.7165 6.2978 6.2978 8.1108 8.1108 8.9510 8.9510 9.2417 9.2417 k = 0.4419-0.2551 0.3608 ( 3010 PWs) bands (ev): -26.4657 -26.4657 -26.4360 -26.4360 -10.3223 -10.3223 -10.2715 -10.2715 -10.0688 -10.0688 -9.8714 -9.8714 -9.7611 -9.7611 -9.7256 -9.7256 -6.6646 -6.6646 1.9628 1.9628 2.6848 2.6848 2.7191 2.7191 6.2774 6.2774 8.0798 8.0798 9.0508 9.0508 9.2667 9.2667 k = 0.4535-0.2618 0.3703 ( 3010 PWs) bands (ev): -26.4653 -26.4653 -26.4363 -26.4363 -10.3267 -10.3267 -10.2720 -10.2720 -10.0695 -10.0695 -9.8714 -9.8714 -9.7576 -9.7576 -9.7252 -9.7252 -6.6621 -6.6621 1.9606 1.9606 2.6871 2.6871 2.7213 2.7213 6.2604 6.2604 8.0543 8.0543 9.1411 9.1411 9.2877 9.2877 k = 0.4651-0.2685 0.3798 ( 3014 PWs) bands (ev): -26.4651 -26.4651 -26.4365 -26.4365 -10.3302 -10.3302 -10.2723 -10.2723 -10.0701 -10.0701 -9.8714 -9.8714 -9.7548 -9.7548 -9.7248 -9.7248 -6.6602 -6.6602 1.9590 1.9590 2.6889 2.6889 2.7230 2.7230 6.2469 6.2469 8.0344 8.0344 9.2184 9.2184 9.3045 9.3045 k = 0.4767-0.2752 0.3893 ( 3018 PWs) bands (ev): -26.4649 -26.4649 -26.4367 -26.4367 -10.3327 -10.3327 -10.2726 -10.2726 -10.0705 -10.0705 -9.8714 -9.8714 -9.7528 -9.7528 -9.7246 -9.7246 -6.6588 -6.6588 1.9578 1.9578 2.6901 2.6901 2.7242 2.7242 6.2371 6.2371 8.0202 8.0202 9.2785 9.2785 9.3167 9.3167 k = 0.4884-0.2820 0.3988 ( 3026 PWs) bands (ev): -26.4648 -26.4648 -26.4369 -26.4369 -10.3342 -10.3342 -10.2728 -10.2728 -10.0708 -10.0708 -9.8714 -9.8714 -9.7517 -9.7517 -9.7244 -9.7244 -6.6579 -6.6579 1.9571 1.9571 2.6909 2.6909 2.7249 2.7249 6.2312 6.2312 8.0117 8.0117 9.3170 9.3170 9.3241 9.3241 k = 0.5000-0.2887 0.4082 ( 3026 PWs) bands (ev): -26.4647 -26.4647 -26.4369 -26.4369 -10.3347 -10.3347 -10.2728 -10.2728 -10.0709 -10.0709 -9.8714 -9.8714 -9.7513 -9.7513 -9.7244 -9.7244 -6.6576 -6.6576 1.9569 1.9569 2.6912 2.6912 2.7252 2.7252 6.2292 6.2292 8.0088 8.0088 9.3266 9.3266 9.3303 9.3303 k = 0.5000-0.2887 0.4082 ( 3026 PWs) bands (ev): -26.4647 -26.4647 -26.4369 -26.4369 -10.3347 -10.3347 -10.2728 -10.2728 -10.0709 -10.0709 -9.8714 -9.8714 -9.7513 -9.7513 -9.7244 -9.7244 -6.6576 -6.6576 1.9569 1.9569 2.6912 2.6912 2.7252 2.7252 6.2292 6.2292 8.0088 8.0088 9.3266 9.3266 9.3303 9.3303 k = 0.5000-0.2756 0.4175 ( 3026 PWs) bands (ev): -26.4647 -26.4647 -26.4369 -26.4369 -10.3346 -10.3346 -10.2726 -10.2726 -10.0707 -10.0707 -9.8716 -9.8716 -9.7513 -9.7513 -9.7246 -9.7246 -6.6576 -6.6576 1.9578 1.9578 2.6906 2.6906 2.7247 2.7247 6.2302 6.2302 8.0099 8.0099 9.3251 9.3251 9.3298 9.3298 k = 0.5000-0.2624 0.4268 ( 3018 PWs) bands (ev): -26.4646 -26.4646 -26.4370 -26.4370 -10.3345 -10.3345 -10.2721 -10.2721 -10.0703 -10.0703 -9.8721 -9.8721 -9.7514 -9.7514 -9.7252 -9.7252 -6.6576 -6.6576 1.9606 1.9606 2.6889 2.6889 2.7231 2.7231 6.2330 6.2330 8.0129 8.0129 9.3143 9.3143 9.3347 9.3347 k = 0.5000-0.2493 0.4361 ( 3014 PWs) bands (ev): -26.4644 -26.4644 -26.4372 -26.4372 -10.3342 -10.3342 -10.2713 -10.2713 -10.0696 -10.0696 -9.8730 -9.8730 -9.7515 -9.7515 -9.7262 -9.7262 -6.6575 -6.6575 1.9651 1.9651 2.6858 2.6858 2.7208 2.7208 6.2377 6.2377 8.0181 8.0181 9.2962 9.2962 9.3435 9.3435 k = 0.5000-0.2362 0.4454 ( 3012 PWs) bands (ev): -26.4641 -26.4641 -26.4374 -26.4374 -10.3337 -10.3337 -10.2701 -10.2701 -10.0687 -10.0687 -9.8742 -9.8742 -9.7517 -9.7517 -9.7276 -9.7276 -6.6575 -6.6575 1.9715 1.9715 2.6811 2.6811 2.7181 2.7181 6.2441 6.2441 8.0252 8.0252 9.2716 9.2716 9.3560 9.3560 k = 0.5000-0.2231 0.4546 ( 3008 PWs) bands (ev): -26.4638 -26.4638 -26.4377 -26.4377 -10.3332 -10.3332 -10.2687 -10.2687 -10.0674 -10.0674 -9.8759 -9.8759 -9.7520 -9.7520 -9.7293 -9.7293 -6.6574 -6.6574 1.9796 1.9796 2.6743 2.6743 2.7154 2.7154 6.2523 6.2523 8.0344 8.0344 9.2416 9.2416 9.3718 9.3718 k = 0.5000-0.2099 0.4639 ( 3012 PWs) bands (ev): -26.4635 -26.4635 -26.4381 -26.4381 -10.3325 -10.3325 -10.2671 -10.2671 -10.0658 -10.0658 -9.8779 -9.8779 -9.7523 -9.7523 -9.7313 -9.7313 -6.6572 -6.6572 1.9895 1.9895 2.6654 2.6654 2.7128 2.7128 6.2620 6.2620 8.0456 8.0456 9.2068 9.2068 9.3911 9.3911 k = 0.5000-0.1968 0.4732 ( 3020 PWs) bands (ev): -26.4630 -26.4630 -26.4386 -26.4386 -10.3318 -10.3318 -10.2653 -10.2653 -10.0638 -10.0638 -9.8804 -9.8804 -9.7527 -9.7527 -9.7335 -9.7335 -6.6571 -6.6571 2.0010 2.0010 2.6544 2.6544 2.7105 2.7105 6.2731 6.2731 8.0589 8.0589 9.1682 9.1682 9.4137 9.4137 k = 0.5000-0.1837 0.4825 ( 3016 PWs) bands (ev): -26.4625 -26.4625 -26.4391 -26.4391 -10.3309 -10.3309 -10.2633 -10.2633 -10.0614 -10.0614 -9.8834 -9.8834 -9.7531 -9.7531 -9.7359 -9.7359 -6.6570 -6.6570 2.0142 2.0142 2.6412 2.6412 2.7084 2.7084 6.2854 6.2854 8.0741 8.0741 9.1266 9.1266 9.4394 9.4394 k = 0.5000-0.1706 0.4918 ( 3020 PWs) bands (ev): -26.4619 -26.4619 -26.4397 -26.4397 -10.3300 -10.3300 -10.2613 -10.2613 -10.0586 -10.0586 -9.8869 -9.8869 -9.7535 -9.7535 -9.7383 -9.7383 -6.6568 -6.6568 2.0289 2.0289 2.6262 2.6262 2.7066 2.7066 6.2987 6.2987 8.0913 8.0913 9.0825 9.0825 9.4682 9.4682 k = 0.5000-0.1575 0.5010 ( 3020 PWs) bands (ev): -26.4613 -26.4613 -26.4403 -26.4403 -10.3290 -10.3290 -10.2593 -10.2593 -10.0553 -10.0553 -9.8909 -9.8909 -9.7540 -9.7540 -9.7408 -9.7408 -6.6567 -6.6567 2.0451 2.0451 2.6095 2.6095 2.7049 2.7049 6.3128 6.3128 8.1105 8.1105 9.0367 9.0367 9.4999 9.4999 k = 0.5000-0.1443 0.5103 ( 3024 PWs) bands (ev): -26.4606 -26.4606 -26.4410 -26.4410 -10.3280 -10.3280 -10.2573 -10.2573 -10.0515 -10.0515 -9.8955 -9.8955 -9.7545 -9.7545 -9.7432 -9.7432 -6.6565 -6.6565 2.0627 2.0627 2.5911 2.5911 2.7034 2.7034 6.3274 6.3274 8.1316 8.1316 8.9897 8.9897 9.5342 9.5342 k = 0.5000-0.1312 0.5196 ( 3028 PWs) bands (ev): -26.4599 -26.4599 -26.4417 -26.4417 -10.3269 -10.3269 -10.2553 -10.2553 -10.0471 -10.0471 -9.9006 -9.9006 -9.7550 -9.7550 -9.7456 -9.7456 -6.6564 -6.6564 2.0817 2.0817 2.5713 2.5713 2.7019 2.7019 6.3423 6.3423 8.1546 8.1546 8.9419 8.9419 9.5711 9.5711 k = 0.5000-0.1181 0.5289 ( 3028 PWs) bands (ev): -26.4591 -26.4591 -26.4425 -26.4425 -10.3259 -10.3259 -10.2535 -10.2535 -10.0422 -10.0422 -9.9063 -9.9063 -9.7555 -9.7555 -9.7478 -9.7478 -6.6562 -6.6562 2.1019 2.1019 2.5503 2.5503 2.7006 2.7006 6.3571 6.3571 8.1796 8.1796 8.8937 8.8937 9.6101 9.6101 k = 0.5000-0.1050 0.5381 ( 3028 PWs) bands (ev): -26.4583 -26.4583 -26.4434 -26.4434 -10.3248 -10.3248 -10.2519 -10.2519 -10.0368 -10.0368 -9.9125 -9.9125 -9.7560 -9.7560 -9.7498 -9.7498 -6.6561 -6.6561 2.1232 2.1232 2.5281 2.5281 2.6994 2.6994 6.3715 6.3715 8.2063 8.2063 8.8455 8.8455 9.6504 9.6504 k = 0.5000-0.0919 0.5474 ( 3022 PWs) bands (ev): -26.4575 -26.4575 -26.4442 -26.4442 -10.3238 -10.3238 -10.2504 -10.2504 -10.0308 -10.0308 -9.9193 -9.9193 -9.7565 -9.7565 -9.7516 -9.7516 -6.6559 -6.6559 2.1455 2.1455 2.5049 2.5049 2.6983 2.6983 6.3853 6.3853 8.2350 8.2350 8.7974 8.7974 9.6150 9.6150 k = 0.5000-0.0787 0.5567 ( 3030 PWs) bands (ev): -26.4566 -26.4566 -26.4451 -26.4451 -10.3229 -10.3229 -10.2491 -10.2491 -10.0244 -10.0244 -9.9264 -9.9264 -9.7570 -9.7570 -9.7531 -9.7531 -6.6558 -6.6558 2.1687 2.1687 2.4809 2.4809 2.6973 2.6973 6.3980 6.3980 8.2654 8.2654 8.7498 8.7498 9.5721 9.5721 k = 0.5000-0.0656 0.5660 ( 3026 PWs) bands (ev): -26.4557 -26.4557 -26.4460 -26.4460 -10.3221 -10.3221 -10.2480 -10.2480 -10.0175 -10.0175 -9.9340 -9.9340 -9.7573 -9.7573 -9.7544 -9.7544 -6.6557 -6.6557 2.1927 2.1927 2.4562 2.4562 2.6965 2.6965 6.4094 6.4094 8.2975 8.2975 8.7029 8.7029 9.5346 9.5346 k = 0.5000-0.0525 0.5753 ( 3024 PWs) bands (ev): -26.4547 -26.4547 -26.4470 -26.4470 -10.3214 -10.3214 -10.2472 -10.2472 -10.0103 -10.0103 -9.9418 -9.9418 -9.7577 -9.7577 -9.7555 -9.7555 -6.6556 -6.6556 2.2172 2.2172 2.4310 2.4310 2.6957 2.6957 6.4192 6.4192 8.3314 8.3314 8.6567 8.6567 9.5032 9.5032 k = 0.5000-0.0394 0.5845 ( 3032 PWs) bands (ev): -26.4538 -26.4538 -26.4479 -26.4479 -10.3208 -10.3208 -10.2465 -10.2465 -10.0028 -10.0028 -9.9498 -9.9498 -9.7579 -9.7579 -9.7564 -9.7564 -6.6555 -6.6555 2.2421 2.2421 2.4056 2.4056 2.6952 2.6952 6.4271 6.4271 8.3669 8.3669 8.6116 8.6116 9.4783 9.4783 k = 0.5000-0.0262 0.5938 ( 3032 PWs) bands (ev): -26.4528 -26.4528 -26.4489 -26.4489 -10.3203 -10.3203 -10.2460 -10.2460 -9.9952 -9.9952 -9.9577 -9.9577 -9.7581 -9.7581 -9.7570 -9.7570 -6.6555 -6.6555 2.2669 2.2669 2.3804 2.3804 2.6948 2.6948 6.4329 6.4329 8.4040 8.4040 8.5675 8.5675 9.4603 9.4603 k = 0.5000-0.0131 0.6031 ( 3028 PWs) bands (ev): -26.4519 -26.4519 -26.4499 -26.4499 -10.3201 -10.3201 -10.2457 -10.2457 -9.9882 -9.9882 -9.9649 -9.9649 -9.7582 -9.7582 -9.7573 -9.7573 -6.6555 -6.6555 2.2901 2.2901 2.3570 2.3570 2.6945 2.6945 6.4365 6.4365 8.4425 8.4425 8.5248 8.5248 9.4494 9.4494 k = 0.5000-0.0000 0.6124 ( 3028 PWs) bands (ev): -26.4509 -26.4509 -26.4509 -26.4509 -10.3200 -10.3200 -10.2456 -10.2456 -9.9845 -9.9845 -9.9687 -9.9687 -9.7582 -9.7582 -9.7575 -9.7575 -6.6554 -6.6554 2.3033 2.3033 2.3438 2.3438 2.6944 2.6944 6.4377 6.4377 8.4781 8.4781 8.4879 8.4879 9.4457 9.4457 k = 0.5000-0.0000 0.6124 ( 3028 PWs) bands (ev): -26.4509 -26.4509 -26.4509 -26.4509 -10.3200 -10.3200 -10.2456 -10.2456 -9.9845 -9.9845 -9.9687 -9.9687 -9.7582 -9.7582 -9.7575 -9.7575 -6.6554 -6.6554 2.3033 2.3033 2.3438 2.3438 2.6944 2.6944 6.4377 6.4377 8.4781 8.4781 8.4879 8.4879 9.4457 9.4457 k = 0.4922 0.0135 0.6124 ( 3028 PWs) bands (ev): -26.4515 -26.4515 -26.4502 -26.4502 -10.3199 -10.3199 -10.2456 -10.2456 -9.9864 -9.9864 -9.9667 -9.9667 -9.7583 -9.7583 -9.7575 -9.7575 -6.6555 -6.6555 2.2964 2.2964 2.3507 2.3507 2.6944 2.6944 6.4379 6.4379 8.4541 8.4541 8.5127 8.5127 9.4450 9.4450 k = 0.4844 0.0271 0.6124 ( 3034 PWs) bands (ev): -26.4522 -26.4522 -26.4496 -26.4496 -10.3197 -10.3197 -10.2454 -10.2454 -9.9907 -9.9907 -9.9623 -9.9623 -9.7586 -9.7586 -9.7576 -9.7576 -6.6557 -6.6557 2.2826 2.2826 2.3647 2.3647 2.6944 2.6944 6.4384 6.4384 8.4254 8.4254 8.5443 8.5443 9.4432 9.4432 k = 0.4766 0.0406 0.6124 ( 3028 PWs) bands (ev): -26.4527 -26.4527 -26.4490 -26.4490 -10.3194 -10.3194 -10.2452 -10.2452 -9.9957 -9.9957 -9.9571 -9.9571 -9.7590 -9.7590 -9.7578 -9.7578 -6.6559 -6.6559 2.2674 2.2674 2.3802 2.3802 2.6943 2.6943 6.4393 6.4393 8.3966 8.3966 8.5784 8.5784 9.4407 9.4407 k = 0.4688 0.0541 0.6124 ( 3026 PWs) bands (ev): -26.4533 -26.4533 -26.4484 -26.4484 -10.3190 -10.3190 -10.2448 -10.2448 -10.0009 -10.0009 -9.9516 -9.9516 -9.7596 -9.7596 -9.7579 -9.7579 -6.6563 -6.6563 2.2522 2.2522 2.3959 2.3959 2.6942 2.6942 6.4404 6.4404 8.3682 8.3682 8.6145 8.6145 9.4380 9.4380 k = 0.4609 0.0677 0.6124 ( 3024 PWs) bands (ev): -26.4538 -26.4538 -26.4479 -26.4479 -10.3186 -10.3186 -10.2443 -10.2443 -10.0061 -10.0061 -9.9461 -9.9461 -9.7605 -9.7605 -9.7580 -9.7580 -6.6566 -6.6566 2.2375 2.2375 2.4110 2.4110 2.6941 2.6941 6.4417 6.4417 8.3407 8.3407 8.6525 8.6525 9.4353 9.4353 k = 0.4531 0.0812 0.6124 ( 3028 PWs) bands (ev): -26.4543 -26.4543 -26.4474 -26.4474 -10.3182 -10.3182 -10.2437 -10.2437 -10.0111 -10.0111 -9.9406 -9.9406 -9.7616 -9.7616 -9.7581 -9.7581 -6.6570 -6.6570 2.2237 2.2237 2.4254 2.4254 2.6940 2.6940 6.4431 6.4431 8.3143 8.3143 8.6921 8.6921 9.4327 9.4327 k = 0.4453 0.0947 0.6124 ( 3024 PWs) bands (ev): -26.4547 -26.4547 -26.4470 -26.4470 -10.3177 -10.3177 -10.2430 -10.2430 -10.0159 -10.0159 -9.9354 -9.9354 -9.7628 -9.7628 -9.7581 -9.7581 -6.6575 -6.6575 2.2108 2.2108 2.4389 2.4389 2.6939 2.6939 6.4445 6.4445 8.2895 8.2895 8.7331 8.7331 9.4304 9.4304 k = 0.4375 0.1083 0.6124 ( 3022 PWs) bands (ev): -26.4551 -26.4551 -26.4466 -26.4466 -10.3173 -10.3173 -10.2422 -10.2422 -10.0205 -10.0205 -9.9304 -9.9304 -9.7641 -9.7641 -9.7581 -9.7581 -6.6579 -6.6579 2.1990 2.1990 2.4513 2.4513 2.6939 2.6939 6.4458 6.4458 8.2665 8.2665 8.7750 8.7750 9.4285 9.4285 k = 0.4297 0.1218 0.6124 ( 3025 PWs) bands (ev): -26.4555 -26.4555 -26.4463 -26.4463 -10.3169 -10.3169 -10.2414 -10.2414 -10.0247 -10.0247 -9.9257 -9.9257 -9.7655 -9.7655 -9.7581 -9.7581 -6.6583 -6.6583 2.1884 2.1884 2.4625 2.4625 2.6938 2.6938 6.4472 6.4472 8.2456 8.2456 8.8174 8.8174 9.4269 9.4269 k = 0.4219 0.1353 0.6124 ( 3025 PWs) bands (ev): -26.4558 -26.4558 -26.4460 -26.4460 -10.3166 -10.3166 -10.2405 -10.2405 -10.0284 -10.0284 -9.9214 -9.9214 -9.7668 -9.7668 -9.7581 -9.7581 -6.6587 -6.6587 2.1790 2.1790 2.4724 2.4724 2.6938 2.6938 6.4484 6.4484 8.2271 8.2271 8.8597 8.8597 9.4257 9.4257 k = 0.4141 0.1488 0.6124 ( 3035 PWs) bands (ev): -26.4560 -26.4560 -26.4458 -26.4458 -10.3163 -10.3163 -10.2397 -10.2397 -10.0317 -10.0317 -9.9177 -9.9177 -9.7681 -9.7681 -9.7581 -9.7581 -6.6590 -6.6590 2.1710 2.1710 2.4808 2.4808 2.6939 2.6939 6.4495 6.4495 8.2110 8.2110 8.9010 8.9010 9.4247 9.4247 k = 0.4062 0.1624 0.6124 ( 3027 PWs) bands (ev): -26.4562 -26.4562 -26.4455 -26.4455 -10.3161 -10.3161 -10.2390 -10.2390 -10.0345 -10.0345 -9.9145 -9.9145 -9.7692 -9.7692 -9.7581 -9.7581 -6.6593 -6.6593 2.1644 2.1644 2.4879 2.4879 2.6939 2.6939 6.4504 6.4504 8.1976 8.1976 8.9400 8.9400 9.4241 9.4241 k = 0.3984 0.1759 0.6124 ( 3025 PWs) bands (ev): -26.4564 -26.4564 -26.4454 -26.4454 -10.3159 -10.3159 -10.2384 -10.2384 -10.0367 -10.0367 -9.9119 -9.9119 -9.7702 -9.7702 -9.7580 -9.7580 -6.6596 -6.6596 2.1592 2.1592 2.4934 2.4934 2.6939 2.6939 6.4511 6.4511 8.1871 8.1871 8.9751 8.9751 9.4236 9.4236 k = 0.3906 0.1894 0.6124 ( 3029 PWs) bands (ev): -26.4565 -26.4565 -26.4452 -26.4452 -10.3158 -10.3158 -10.2379 -10.2379 -10.0383 -10.0383 -9.9100 -9.9100 -9.7709 -9.7709 -9.7580 -9.7580 -6.6597 -6.6597 2.1554 2.1554 2.4974 2.4974 2.6940 2.6940 6.4517 6.4517 8.1795 8.1795 9.0037 9.0037 9.4233 9.4233 k = 0.3828 0.2030 0.6124 ( 3029 PWs) bands (ev): -26.4566 -26.4566 -26.4452 -26.4452 -10.3157 -10.3157 -10.2376 -10.2376 -10.0393 -10.0393 -9.9088 -9.9088 -9.7714 -9.7714 -9.7580 -9.7580 -6.6599 -6.6599 2.1532 2.1532 2.4998 2.4998 2.6940 2.6940 6.4520 6.4520 8.1749 8.1749 9.0229 9.0229 9.4232 9.4232 k = 0.3750 0.2165 0.6124 ( 3032 PWs) bands (ev): -26.4566 -26.4566 -26.4452 -26.4452 -10.3157 -10.3157 -10.2375 -10.2375 -10.0397 -10.0397 -9.9085 -9.9085 -9.7716 -9.7716 -9.7580 -9.7580 -6.6599 -6.6599 2.1524 2.1524 2.5006 2.5006 2.6940 2.6940 6.4521 6.4521 8.1734 8.1734 9.0297 9.0297 9.4232 9.4232 k = 0.3750 0.2165 0.6124 ( 3032 PWs) bands (ev): -26.4566 -26.4566 -26.4452 -26.4452 -10.3157 -10.3157 -10.2375 -10.2375 -10.0397 -10.0397 -9.9085 -9.9085 -9.7716 -9.7716 -9.7580 -9.7580 -6.6599 -6.6599 2.1524 2.1524 2.5006 2.5006 2.6940 2.6940 6.4521 6.4521 8.1734 8.1734 9.0297 9.0297 9.4232 9.4232 k = 0.3668 0.2118 0.5991 ( 3024 PWs) bands (ev): -26.4556 -26.4556 -26.4462 -26.4462 -10.3128 -10.3128 -10.2335 -10.2335 -10.0355 -10.0355 -9.9128 -9.9128 -9.7773 -9.7773 -9.7589 -9.7589 -6.6609 -6.6609 2.1748 2.1748 2.4786 2.4786 2.6916 2.6916 6.4806 6.4806 8.1838 8.1838 9.0155 9.0155 9.3483 9.3483 k = 0.3587 0.2071 0.5857 ( 3020 PWs) bands (ev): -26.4545 -26.4545 -26.4472 -26.4472 -10.3097 -10.3097 -10.2294 -10.2294 -10.0311 -10.0311 -9.9172 -9.9172 -9.7834 -9.7834 -9.7597 -9.7597 -6.6621 -6.6621 2.1976 2.1976 2.4564 2.4564 2.6890 2.6890 6.5103 6.5103 8.1921 8.1921 9.0043 9.0043 9.2750 9.2750 k = 0.3505 0.2024 0.5724 ( 3028 PWs) bands (ev): -26.4535 -26.4535 -26.4484 -26.4484 -10.3064 -10.3064 -10.2253 -10.2253 -10.0265 -10.0265 -9.9218 -9.9218 -9.7896 -9.7896 -9.7606 -9.7606 -6.6635 -6.6635 2.2206 2.2206 2.4344 2.4344 2.6862 2.6862 6.5410 6.5410 8.1979 8.1979 8.9964 8.9964 9.2032 9.2032 k = 0.3424 0.1977 0.5591 ( 3024 PWs) bands (ev): -26.4523 -26.4523 -26.4496 -26.4496 -10.3029 -10.3029 -10.2210 -10.2210 -10.0217 -10.0217 -9.9263 -9.9263 -9.7961 -9.7961 -9.7615 -9.7615 -6.6653 -6.6653 2.2436 2.2436 2.4126 2.4126 2.6832 2.6832 6.5725 6.5725 8.2010 8.2010 8.9920 8.9920 9.1334 9.1334 k = 0.3342 0.1930 0.5458 ( 3024 PWs) bands (ev): -26.4511 -26.4511 -26.4508 -26.4508 -10.2992 -10.2992 -10.2167 -10.2167 -10.0167 -10.0167 -9.9308 -9.9308 -9.8027 -9.8027 -9.7624 -9.7624 -6.6673 -6.6673 2.2663 2.2663 2.3914 2.3914 2.6801 2.6801 6.6046 6.6046 8.2009 8.2009 8.9912 8.9912 9.0656 9.0656 k = 0.3261 0.1883 0.5325 ( 3024 PWs) bands (ev): -26.4521 -26.4521 -26.4499 -26.4499 -10.2954 -10.2954 -10.2123 -10.2123 -10.0115 -10.0115 -9.9353 -9.9353 -9.8095 -9.8095 -9.7634 -9.7634 -6.6696 -6.6696 2.2881 2.2881 2.3714 2.3714 2.6768 2.6768 6.6370 6.6370 8.1975 8.1975 8.9941 8.9941 9.0000 9.0000 k = 0.3179 0.1836 0.5192 ( 3024 PWs) bands (ev): -26.4534 -26.4534 -26.4486 -26.4486 -10.2915 -10.2915 -10.2079 -10.2079 -10.0061 -10.0061 -9.9397 -9.9397 -9.8164 -9.8164 -9.7643 -9.7643 -6.6722 -6.6722 2.3070 2.3070 2.3546 2.3546 2.6733 2.6733 6.6691 6.6691 8.1907 8.1907 8.9366 8.9366 9.0011 9.0011 k = 0.3098 0.1789 0.5059 ( 3024 PWs) bands (ev): -26.4548 -26.4548 -26.4473 -26.4473 -10.2875 -10.2875 -10.2034 -10.2034 -10.0007 -10.0007 -9.9439 -9.9439 -9.8234 -9.8234 -9.7652 -9.7652 -6.6752 -6.6752 2.3133 2.3133 2.3507 2.3507 2.6696 2.6696 6.7005 6.7005 8.1805 8.1805 8.8757 8.8757 9.0121 9.0121 k = 0.3016 0.1741 0.4926 ( 3024 PWs) bands (ev): -26.4562 -26.4562 -26.4459 -26.4459 -10.2834 -10.2834 -10.1989 -10.1989 -9.9953 -9.9953 -9.9477 -9.9477 -9.8305 -9.8305 -9.7661 -9.7661 -6.6785 -6.6785 2.3019 2.3019 2.3648 2.3648 2.6657 2.6657 6.7307 6.7307 8.1671 8.1671 8.8172 8.8172 9.0273 9.0273 k = 0.2935 0.1694 0.4792 ( 3018 PWs) bands (ev): -26.4575 -26.4575 -26.4446 -26.4446 -10.2794 -10.2794 -10.1942 -10.1942 -9.9901 -9.9901 -9.9511 -9.9511 -9.8377 -9.8377 -9.7670 -9.7670 -6.6822 -6.6822 2.2860 2.2860 2.3836 2.3836 2.6617 2.6617 6.7588 6.7588 8.1509 8.1509 8.7613 8.7613 9.0468 9.0468 k = 0.2853 0.1647 0.4659 ( 3026 PWs) bands (ev): -26.4589 -26.4589 -26.4433 -26.4433 -10.2754 -10.2754 -10.1895 -10.1895 -9.9855 -9.9855 -9.9536 -9.9536 -9.8449 -9.8449 -9.7679 -9.7679 -6.6863 -6.6863 2.2701 2.2701 2.4028 2.4028 2.6575 2.6575 6.7840 6.7840 8.1326 8.1326 8.7080 8.7080 9.0706 9.0706 k = 0.2772 0.1600 0.4526 ( 3022 PWs) bands (ev): -26.4604 -26.4604 -26.4419 -26.4419 -10.2715 -10.2715 -10.1847 -10.1847 -9.9820 -9.9820 -9.9546 -9.9546 -9.8522 -9.8522 -9.7687 -9.7687 -6.6907 -6.6907 2.2550 2.2550 2.4214 2.4214 2.6531 2.6531 6.8053 6.8053 8.1131 8.1131 8.6573 8.6573 9.0989 9.0989 k = 0.2690 0.1553 0.4393 ( 3018 PWs) bands (ev): -26.4618 -26.4618 -26.4405 -26.4405 -10.2678 -10.2678 -10.1797 -10.1797 -9.9804 -9.9804 -9.9533 -9.9533 -9.8595 -9.8595 -9.7695 -9.7695 -6.6955 -6.6955 2.2411 2.2411 2.4391 2.4391 2.6486 2.6486 6.8214 6.8214 8.0935 8.0935 8.6093 8.6093 9.1315 9.1315 k = 0.2609 0.1506 0.4260 ( 3022 PWs) bands (ev): -26.4633 -26.4633 -26.4391 -26.4391 -10.2642 -10.2642 -10.1745 -10.1745 -9.9807 -9.9807 -9.9498 -9.9498 -9.8667 -9.8667 -9.7702 -9.7702 -6.7007 -6.7007 2.2286 2.2286 2.4556 2.4556 2.6439 2.6439 6.8310 6.8310 8.0753 8.0753 8.5640 8.5640 9.1686 9.1686 k = 0.2527 0.1459 0.4127 ( 3038 PWs) bands (ev): -26.4648 -26.4648 -26.4377 -26.4377 -10.2610 -10.2610 -10.1692 -10.1692 -9.9823 -9.9823 -9.9446 -9.9446 -9.8740 -9.8740 -9.7710 -9.7710 -6.7063 -6.7063 2.2176 2.2176 2.4708 2.4708 2.6392 2.6392 6.8329 6.8329 8.0598 8.0598 8.5213 8.5213 9.2102 9.2102 k = 0.2446 0.1412 0.3994 ( 3028 PWs) bands (ev): -26.4662 -26.4662 -26.4363 -26.4363 -10.2580 -10.2580 -10.1637 -10.1637 -9.9845 -9.9845 -9.9385 -9.9385 -9.8811 -9.8811 -9.7716 -9.7716 -6.7123 -6.7123 2.2083 2.2083 2.4847 2.4847 2.6343 2.6343 6.8259 6.8259 8.0483 8.0483 8.4814 8.4814 9.2561 9.2561 k = 0.2364 0.1365 0.3861 ( 3032 PWs) bands (ev): -26.4677 -26.4677 -26.4350 -26.4350 -10.2554 -10.2554 -10.1580 -10.1580 -9.9869 -9.9869 -9.9317 -9.9317 -9.8883 -9.8883 -9.7721 -9.7721 -6.7187 -6.7187 2.2007 2.2007 2.4972 2.4972 2.6294 2.6294 6.8091 6.8091 8.0421 8.0421 8.4441 8.4441 9.3064 9.3064 k = 0.2283 0.1318 0.3727 ( 3024 PWs) bands (ev): -26.4692 -26.4692 -26.4335 -26.4335 -10.2531 -10.2531 -10.1522 -10.1522 -9.9893 -9.9893 -9.9247 -9.9247 -9.8953 -9.8953 -9.7726 -9.7726 -6.7254 -6.7254 2.1948 2.1948 2.5082 2.5082 2.6245 2.6245 6.7821 6.7821 8.0416 8.0416 8.4094 8.4094 9.3609 9.3609 k = 0.2201 0.1271 0.3594 ( 3028 PWs) bands (ev): -26.4706 -26.4706 -26.4322 -26.4322 -10.2512 -10.2512 -10.1461 -10.1461 -9.9916 -9.9916 -9.9173 -9.9173 -9.9022 -9.9022 -9.7730 -9.7730 -6.7324 -6.7324 2.1908 2.1908 2.5177 2.5177 2.6196 2.6196 6.7449 6.7449 8.0470 8.0470 8.3774 8.3774 9.4196 9.4196 k = 0.2120 0.1224 0.3461 ( 3024 PWs) bands (ev): -26.4721 -26.4721 -26.4308 -26.4308 -10.2498 -10.2498 -10.1399 -10.1399 -9.9937 -9.9937 -9.9106 -9.9106 -9.9082 -9.9082 -9.7734 -9.7734 -6.7398 -6.7398 2.1886 2.1886 2.5257 2.5257 2.6147 2.6147 6.6981 6.6981 8.0579 8.0579 8.3479 8.3479 9.4822 9.4822 k = 0.2038 0.1177 0.3328 ( 3022 PWs) bands (ev): -26.4735 -26.4735 -26.4295 -26.4295 -10.2487 -10.2487 -10.1335 -10.1335 -9.9957 -9.9957 -9.9159 -9.9159 -9.9019 -9.9019 -9.7736 -9.7736 -6.7475 -6.7475 2.1883 2.1883 2.5321 2.5321 2.6100 2.6100 6.6426 6.6426 8.0734 8.0734 8.3210 8.3210 9.5041 9.5041 k = 0.1957 0.1130 0.3195 ( 3026 PWs) bands (ev): -26.4749 -26.4749 -26.4282 -26.4282 -10.2479 -10.2479 -10.1271 -10.1271 -9.9975 -9.9975 -9.9224 -9.9224 -9.8942 -9.8942 -9.7738 -9.7738 -6.7554 -6.7554 2.1900 2.1900 2.5370 2.5370 2.6054 2.6054 6.5796 6.5796 8.0923 8.0923 8.2965 8.2965 9.4901 9.4901 k = 0.1875 0.1083 0.3062 ( 3018 PWs) bands (ev): -26.4763 -26.4763 -26.4269 -26.4269 -10.2476 -10.2476 -10.1205 -10.1205 -9.9991 -9.9991 -9.9287 -9.9287 -9.8864 -9.8864 -9.7738 -9.7738 -6.7635 -6.7635 2.1936 2.1936 2.5404 2.5404 2.6009 2.6009 6.5102 6.5102 8.1134 8.1134 8.2745 8.2745 9.4805 9.4805 k = 0.1793 0.1035 0.2929 ( 3014 PWs) bands (ev): -26.4776 -26.4776 -26.4256 -26.4256 -10.2475 -10.2475 -10.1140 -10.1140 -10.0005 -10.0005 -9.9349 -9.9349 -9.8785 -9.8785 -9.7738 -9.7738 -6.7719 -6.7719 2.1990 2.1990 2.5424 2.5424 2.5967 2.5967 6.4357 6.4357 8.1353 8.1353 8.2547 8.2547 9.4761 9.4761 k = 0.1712 0.0988 0.2796 ( 3002 PWs) bands (ev): -26.4789 -26.4789 -26.4243 -26.4243 -10.2477 -10.2477 -10.1075 -10.1075 -10.0018 -10.0018 -9.9409 -9.9409 -9.8706 -9.8706 -9.7736 -9.7736 -6.7804 -6.7804 2.2063 2.2063 2.5430 2.5430 2.5927 2.5927 6.3572 6.3572 8.1568 8.1568 8.2373 8.2373 9.4772 9.4772 k = 0.1630 0.0941 0.2662 ( 3000 PWs) bands (ev): -26.4802 -26.4802 -26.4231 -26.4231 -10.2482 -10.2482 -10.1011 -10.1011 -10.0028 -10.0028 -9.9467 -9.9467 -9.8628 -9.8628 -9.7734 -9.7734 -6.7890 -6.7890 2.2154 2.2154 2.5424 2.5424 2.5888 2.5888 6.2759 6.2759 8.1769 8.1769 8.2220 8.2220 9.4843 9.4843 k = 0.1549 0.0894 0.2529 ( 3006 PWs) bands (ev): -26.4815 -26.4815 -26.4220 -26.4220 -10.2489 -10.2489 -10.0948 -10.0948 -10.0037 -10.0037 -9.9523 -9.9523 -9.8550 -9.8550 -9.7731 -9.7731 -6.7977 -6.7977 2.2262 2.2262 2.5409 2.5409 2.5851 2.5851 6.1925 6.1925 8.1945 8.1945 8.2089 8.2089 9.4977 9.4977 k = 0.1467 0.0847 0.2396 ( 3014 PWs) bands (ev): -26.4827 -26.4827 -26.4209 -26.4209 -10.2498 -10.2498 -10.0887 -10.0887 -10.0045 -10.0045 -9.9577 -9.9577 -9.8473 -9.8473 -9.7727 -9.7727 -6.8065 -6.8065 2.2387 2.2387 2.5385 2.5385 2.5813 2.5813 6.1081 6.1081 8.1974 8.1974 8.2096 8.2096 9.5174 9.5174 k = 0.1386 0.0800 0.2263 ( 3014 PWs) bands (ev): -26.4839 -26.4839 -26.4198 -26.4198 -10.2508 -10.2508 -10.0827 -10.0827 -10.0051 -10.0051 -9.9628 -9.9628 -9.8397 -9.8397 -9.7722 -9.7722 -6.8152 -6.8152 2.2526 2.2526 2.5356 2.5356 2.5776 2.5776 6.0233 6.0233 8.1881 8.1881 8.2210 8.2210 9.5434 9.5434 k = 0.1304 0.0753 0.2130 ( 3012 PWs) bands (ev): -26.4850 -26.4850 -26.4187 -26.4187 -10.2519 -10.2519 -10.0770 -10.0770 -10.0056 -10.0056 -9.9677 -9.9677 -9.8323 -9.8323 -9.7716 -9.7716 -6.8238 -6.8238 2.2679 2.2679 2.5322 2.5322 2.5737 2.5737 5.9389 5.9389 8.1805 8.1805 8.2290 8.2290 9.5753 9.5753 k = 0.1223 0.0706 0.1997 ( 3012 PWs) bands (ev): -26.4860 -26.4860 -26.4178 -26.4178 -10.2532 -10.2532 -10.0716 -10.0716 -10.0060 -10.0060 -9.9723 -9.9723 -9.8250 -9.8250 -9.7710 -9.7710 -6.8322 -6.8322 2.2844 2.2844 2.5286 2.5286 2.5698 2.5698 5.8556 5.8556 8.1744 8.1744 8.2337 8.2337 9.6126 9.6126 k = 0.1141 0.0659 0.1864 ( 3008 PWs) bands (ev): -26.4870 -26.4870 -26.4168 -26.4168 -10.2544 -10.2544 -10.0664 -10.0664 -10.0063 -10.0063 -9.9766 -9.9766 -9.8179 -9.8179 -9.7703 -9.7703 -6.8405 -6.8405 2.3019 2.3019 2.5250 2.5250 2.5657 2.5657 5.7739 5.7739 8.1698 8.1698 8.2354 8.2354 9.6546 9.6546 k = 0.1060 0.0612 0.1731 ( 3004 PWs) bands (ev): -26.4880 -26.4880 -26.4159 -26.4159 -10.2557 -10.2557 -10.0616 -10.0616 -10.0065 -10.0065 -9.9807 -9.9807 -9.8111 -9.8111 -9.7696 -9.7696 -6.8485 -6.8485 2.3202 2.3202 2.5213 2.5213 2.5616 2.5616 5.6945 5.6945 8.1666 8.1666 8.2345 8.2345 9.7004 9.7004 k = 0.0978 0.0565 0.1597 ( 3016 PWs) bands (ev): -26.4889 -26.4889 -26.4152 -26.4152 -10.2571 -10.2571 -10.0571 -10.0571 -10.0067 -10.0067 -9.9845 -9.9845 -9.8046 -9.8046 -9.7688 -9.7688 -6.8563 -6.8563 2.3389 2.3389 2.5178 2.5178 2.5575 2.5575 5.6179 5.6179 8.1644 8.1644 8.2314 8.2314 9.7492 9.7492 k = 0.0897 0.0518 0.1464 ( 3018 PWs) bands (ev): -26.4897 -26.4897 -26.4144 -26.4144 -10.2583 -10.2583 -10.0530 -10.0530 -10.0068 -10.0068 -9.9881 -9.9881 -9.7984 -9.7984 -9.7680 -9.7680 -6.8636 -6.8636 2.3577 2.3577 2.5146 2.5146 2.5535 2.5535 5.5447 5.5447 8.1633 8.1633 8.2267 8.2267 9.7999 9.7999 k = 0.0815 0.0471 0.1331 ( 3018 PWs) bands (ev): -26.4905 -26.4905 -26.4137 -26.4137 -10.2596 -10.2596 -10.0492 -10.0492 -10.0069 -10.0069 -9.9913 -9.9913 -9.7926 -9.7926 -9.7672 -9.7672 -6.8705 -6.8705 2.3763 2.3763 2.5118 2.5118 2.5495 2.5495 5.4754 5.4754 8.1630 8.1630 8.2208 8.2208 9.8516 9.8516 k = 0.0734 0.0424 0.1198 ( 3018 PWs) bands (ev): -26.4912 -26.4912 -26.4130 -26.4130 -10.2607 -10.2607 -10.0457 -10.0457 -10.0070 -10.0070 -9.9942 -9.9942 -9.7872 -9.7872 -9.7665 -9.7665 -6.8770 -6.8770 2.3942 2.3942 2.5096 2.5096 2.5458 2.5458 5.4105 5.4105 8.1634 8.1634 8.2142 8.2142 9.9032 9.9032 k = 0.0652 0.0377 0.1065 ( 3016 PWs) bands (ev): -26.4918 -26.4918 -26.4125 -26.4125 -10.2618 -10.2618 -10.0427 -10.0427 -10.0070 -10.0070 -9.9969 -9.9969 -9.7823 -9.7823 -9.7657 -9.7657 -6.8829 -6.8829 2.4109 2.4109 2.5082 2.5082 2.5422 2.5422 5.3506 5.3506 8.1644 8.1644 8.2073 8.2073 9.9536 9.9536 k = 0.0571 0.0329 0.0932 ( 3020 PWs) bands (ev): -26.4924 -26.4924 -26.4120 -26.4120 -10.2628 -10.2628 -10.0400 -10.0400 -10.0070 -10.0070 -9.9992 -9.9992 -9.7778 -9.7778 -9.7651 -9.7651 -6.8882 -6.8882 2.4258 2.4258 2.5079 2.5079 2.5390 2.5390 5.2963 5.2963 8.1656 8.1656 8.2004 8.2004 10.0017 10.0017 k = 0.0489 0.0282 0.0799 ( 3014 PWs) bands (ev): -26.4929 -26.4929 -26.4115 -26.4115 -10.2637 -10.2637 -10.0376 -10.0376 -10.0070 -10.0070 -10.0012 -10.0012 -9.7739 -9.7739 -9.7644 -9.7644 -6.8930 -6.8930 2.4382 2.4382 2.5090 2.5090 2.5361 2.5361 5.2479 5.2479 8.1671 8.1671 8.1938 8.1938 10.0464 10.0465 k = 0.0408 0.0235 0.0666 ( 3018 PWs) bands (ev): -26.4934 -26.4934 -26.4111 -26.4111 -10.2645 -10.2645 -10.0357 -10.0357 -10.0070 -10.0070 -10.0030 -10.0030 -9.7705 -9.7705 -9.7639 -9.7639 -6.8970 -6.8970 2.4477 2.4477 2.5117 2.5117 2.5336 2.5336 5.2060 5.2060 8.1686 8.1686 8.1879 8.1879 10.0867 10.0867 k = 0.0326 0.0188 0.0532 ( 3028 PWs) bands (ev): -26.4938 -26.4938 -26.4108 -26.4108 -10.2651 -10.2651 -10.0341 -10.0341 -10.0069 -10.0069 -10.0044 -10.0044 -9.7677 -9.7677 -9.7634 -9.7634 -6.9004 -6.9004 2.4543 2.4543 2.5156 2.5156 2.5315 2.5315 5.1711 5.1711 8.1700 8.1700 8.1827 8.1827 10.1211 10.1211 k = 0.0245 0.0141 0.0399 ( 3021 PWs) bands (ev): -26.4940 -26.4940 -26.4105 -26.4105 -10.2656 -10.2656 -10.0328 -10.0328 -10.0069 -10.0069 -10.0055 -10.0055 -9.7654 -9.7654 -9.7630 -9.7630 -6.9031 -6.9031 2.4583 2.4583 2.5200 2.5200 2.5298 2.5298 5.1434 5.1434 8.1712 8.1712 8.1786 8.1786 10.1481 10.1481 k = 0.0163 0.0094 0.0266 ( 3015 PWs) bands (ev): -26.4942 -26.4942 -26.4103 -26.4103 -10.2660 -10.2660 -10.0319 -10.0319 -10.0069 -10.0069 -10.0063 -10.0063 -9.7638 -9.7638 -9.7628 -9.7628 -6.9050 -6.9050 2.4606 2.4606 2.5240 2.5240 2.5286 2.5286 5.1235 5.1235 8.1722 8.1722 8.1755 8.1755 10.1655 10.1655 k = 0.0082 0.0047 0.0133 ( 2987 PWs) bands (ev): -26.4943 -26.4943 -26.4101 -26.4101 -10.2662 -10.2662 -10.0314 -10.0314 -10.0068 -10.0068 -10.0067 -10.0067 -9.7629 -9.7629 -9.7626 -9.7626 -6.9062 -6.9062 2.4618 2.4618 2.5267 2.5267 2.5279 2.5279 5.1114 5.1114 8.1728 8.1728 8.1736 8.1736 10.1723 10.1723 k = 0.0000 0.0000 0.0000 ( 2975 PWs) bands (ev): -26.4943 -26.4943 -26.4100 -26.4100 -10.2662 -10.2662 -10.0312 -10.0312 -10.0068 -10.0068 -10.0068 -10.0068 -9.7625 -9.7625 -9.7625 -9.7625 -6.9065 -6.9065 2.4621 2.4621 2.5276 2.5276 2.5276 2.5276 5.1073 5.1073 8.1730 8.1730 8.1730 8.1730 10.1734 10.1734 k = 0.0000 0.0000 0.0000 ( 2975 PWs) bands (ev): -26.4943 -26.4943 -26.4100 -26.4100 -10.2662 -10.2662 -10.0312 -10.0312 -10.0068 -10.0068 -10.0068 -10.0068 -9.7625 -9.7625 -9.7625 -9.7625 -6.9065 -6.9065 2.4621 2.4621 2.5276 2.5276 2.5276 2.5276 5.1073 5.1073 8.1730 8.1730 8.1730 8.1730 10.1734 10.1734 k = 0.0135 0.0078 0.0055 ( 2993 PWs) bands (ev): -26.4943 -26.4943 -26.4101 -26.4101 -10.2662 -10.2662 -10.0314 -10.0314 -10.0068 -10.0068 -10.0067 -10.0067 -9.7628 -9.7628 -9.7627 -9.7627 -6.9061 -6.9061 2.4618 2.4618 2.5267 2.5267 2.5279 2.5279 5.1115 5.1115 8.1732 8.1732 8.1732 8.1732 10.1721 10.1721 k = 0.0270 0.0156 0.0110 ( 3005 PWs) bands (ev): -26.4942 -26.4942 -26.4103 -26.4103 -10.2660 -10.2660 -10.0319 -10.0319 -10.0066 -10.0066 -10.0065 -10.0065 -9.7636 -9.7636 -9.7630 -9.7630 -6.9050 -6.9050 2.4606 2.4606 2.5239 2.5239 2.5286 2.5286 5.1240 5.1240 8.1739 8.1739 8.1739 8.1739 10.1631 10.1631 k = 0.0405 0.0234 0.0166 ( 3014 PWs) bands (ev): -26.4940 -26.4940 -26.4105 -26.4105 -10.2656 -10.2656 -10.0328 -10.0328 -10.0063 -10.0063 -10.0060 -10.0060 -9.7649 -9.7649 -9.7637 -9.7637 -6.9030 -6.9030 2.4583 2.4583 2.5199 2.5199 2.5298 2.5298 5.1445 5.1445 8.1749 8.1749 8.1751 8.1751 10.1407 10.1407 k = 0.0541 0.0312 0.0221 ( 3020 PWs) bands (ev): -26.4937 -26.4937 -26.4108 -26.4108 -10.2651 -10.2651 -10.0341 -10.0341 -10.0059 -10.0059 -10.0054 -10.0054 -9.7667 -9.7667 -9.7646 -9.7646 -6.9002 -6.9002 2.4541 2.4541 2.5154 2.5154 2.5314 2.5314 5.1729 5.1729 8.1765 8.1765 8.1768 8.1768 10.1074 10.1074 k = 0.0676 0.0390 0.0276 ( 3017 PWs) bands (ev): -26.4934 -26.4934 -26.4111 -26.4111 -10.2644 -10.2644 -10.0358 -10.0358 -10.0053 -10.0053 -10.0045 -10.0045 -9.7690 -9.7690 -9.7657 -9.7657 -6.8968 -6.8968 2.4474 2.4474 2.5114 2.5114 2.5335 2.5335 5.2088 5.2088 8.1786 8.1786 8.1790 8.1790 10.0659 10.0659 k = 0.0811 0.0468 0.0331 ( 3020 PWs) bands (ev): -26.4929 -26.4929 -26.4115 -26.4115 -10.2636 -10.2636 -10.0377 -10.0377 -10.0046 -10.0046 -10.0035 -10.0035 -9.7718 -9.7718 -9.7670 -9.7670 -6.8926 -6.8926 2.4377 2.4377 2.5087 2.5087 2.5361 2.5361 5.2518 5.2518 8.1812 8.1812 8.1818 8.1818 10.0179 10.0179 k = 0.0946 0.0546 0.0386 ( 3020 PWs) bands (ev): -26.4924 -26.4924 -26.4120 -26.4120 -10.2626 -10.2626 -10.0400 -10.0400 -10.0038 -10.0038 -10.0023 -10.0023 -9.7750 -9.7750 -9.7686 -9.7686 -6.8877 -6.8877 2.4250 2.4250 2.5076 2.5076 2.5391 2.5391 5.3013 5.3013 8.1844 8.1844 8.1852 8.1852 9.9647 9.9647 k = 0.1081 0.0624 0.0441 ( 3008 PWs) bands (ev): -26.4917 -26.4917 -26.4125 -26.4125 -10.2615 -10.2615 -10.0427 -10.0427 -10.0028 -10.0028 -10.0009 -10.0009 -9.7786 -9.7786 -9.7704 -9.7704 -6.8822 -6.8822 2.4098 2.4098 2.5080 2.5080 2.5424 2.5424 5.3569 5.3569 8.1884 8.1884 8.1894 8.1894 9.9076 9.9076 k = 0.1216 0.0702 0.0497 ( 3008 PWs) bands (ev): -26.4911 -26.4911 -26.4131 -26.4131 -10.2602 -10.2602 -10.0456 -10.0456 -10.0018 -10.0018 -9.9993 -9.9993 -9.7826 -9.7826 -9.7725 -9.7725 -6.8762 -6.8762 2.3926 2.3926 2.5096 2.5096 2.5462 2.5462 5.4180 5.4180 8.1930 8.1930 8.1943 8.1943 9.8474 9.8474 k = 0.1351 0.0780 0.0552 ( 3008 PWs) bands (ev): -26.4903 -26.4903 -26.4138 -26.4138 -10.2588 -10.2588 -10.0489 -10.0489 -10.0006 -10.0006 -9.9975 -9.9975 -9.7870 -9.7870 -9.7748 -9.7748 -6.8696 -6.8696 2.3742 2.3742 2.5121 2.5121 2.5503 2.5503 5.4840 5.4840 8.1984 8.1984 8.1999 8.1999 9.7850 9.7850 k = 0.1486 0.0858 0.0607 ( 3008 PWs) bands (ev): -26.4895 -26.4895 -26.4145 -26.4145 -10.2573 -10.2573 -10.0525 -10.0525 -9.9994 -9.9994 -9.9956 -9.9956 -9.7916 -9.7916 -9.7773 -9.7773 -6.8625 -6.8625 2.3549 2.3549 2.5152 2.5152 2.5547 2.5547 5.5543 5.5543 8.2047 8.2047 8.2065 8.2065 9.7208 9.7208 k = 0.1622 0.0936 0.0662 ( 3002 PWs) bands (ev): -26.4886 -26.4886 -26.4153 -26.4153 -10.2556 -10.2556 -10.0563 -10.0563 -9.9980 -9.9980 -9.9934 -9.9934 -9.7966 -9.7966 -9.7800 -9.7800 -6.8550 -6.8550 2.3352 2.3352 2.5190 2.5190 2.5594 2.5594 5.6284 5.6284 8.2118 8.2118 8.2139 8.2139 9.6552 9.6552 k = 0.1757 0.1014 0.0717 ( 2999 PWs) bands (ev): -26.4877 -26.4877 -26.4162 -26.4162 -10.2539 -10.2539 -10.0604 -10.0604 -9.9965 -9.9965 -9.9911 -9.9911 -9.8017 -9.8017 -9.7830 -9.7830 -6.8472 -6.8472 2.3155 2.3155 2.5231 2.5231 2.5644 2.5644 5.7057 5.7057 8.2199 8.2199 8.2223 8.2223 9.5884 9.5884 k = 0.1892 0.1092 0.0772 ( 3005 PWs) bands (ev): -26.4867 -26.4867 -26.4171 -26.4171 -10.2520 -10.2520 -10.0648 -10.0648 -9.9950 -9.9950 -9.9887 -9.9887 -9.8071 -9.8071 -9.7861 -9.7861 -6.8391 -6.8391 2.2959 2.2959 2.5276 2.5276 2.5695 2.5695 5.7857 5.7857 8.2289 8.2289 8.2317 8.2317 9.5204 9.5204 k = 0.2027 0.1170 0.0828 ( 2999 PWs) bands (ev): -26.4856 -26.4856 -26.4181 -26.4181 -10.2500 -10.2500 -10.0694 -10.0694 -9.9934 -9.9934 -9.9860 -9.9860 -9.8126 -9.8126 -9.7894 -9.7894 -6.8307 -6.8307 2.2768 2.2768 2.5324 2.5324 2.5749 2.5749 5.8677 5.8677 8.2389 8.2389 8.2420 8.2420 9.4510 9.4510 k = 0.2162 0.1248 0.0883 ( 2999 PWs) bands (ev): -26.4845 -26.4845 -26.4192 -26.4192 -10.2479 -10.2479 -10.0741 -10.0741 -9.9917 -9.9917 -9.9832 -9.9832 -9.8182 -9.8182 -9.7930 -9.7930 -6.8222 -6.8222 2.2583 2.2583 2.5374 2.5374 2.5804 2.5804 5.9512 5.9512 8.2499 8.2499 8.2534 8.2534 9.3798 9.3798 k = 0.2297 0.1326 0.0938 ( 2998 PWs) bands (ev): -26.4833 -26.4833 -26.4202 -26.4202 -10.2456 -10.2456 -10.0791 -10.0791 -9.9899 -9.9899 -9.9802 -9.9802 -9.8239 -9.8239 -9.7967 -9.7967 -6.8136 -6.8136 2.2406 2.2406 2.5425 2.5425 2.5860 2.5860 6.0358 6.0358 8.2619 8.2619 8.2657 8.2657 9.3066 9.3066 k = 0.2432 0.1404 0.0993 ( 2989 PWs) bands (ev): -26.4820 -26.4820 -26.4214 -26.4214 -10.2433 -10.2433 -10.0841 -10.0841 -9.9880 -9.9880 -9.9771 -9.9771 -9.8296 -9.8296 -9.8005 -9.8005 -6.8050 -6.8050 2.2238 2.2238 2.5478 2.5478 2.5917 2.5917 6.1209 6.1209 8.2748 8.2748 8.2791 8.2791 9.2309 9.2309 k = 0.2568 0.1482 0.1048 ( 2995 PWs) bands (ev): -26.4807 -26.4807 -26.4227 -26.4227 -10.2409 -10.2409 -10.0893 -10.0893 -9.9861 -9.9861 -9.9738 -9.9738 -9.8354 -9.8354 -9.8045 -9.8045 -6.7964 -6.7964 2.2079 2.2079 2.5531 2.5531 2.5975 2.5975 6.2061 6.2061 8.2887 8.2887 8.2933 8.2933 9.1525 9.1525 k = 0.2703 0.1560 0.1103 ( 3007 PWs) bands (ev): -26.4794 -26.4794 -26.4239 -26.4239 -10.2385 -10.2385 -10.0946 -10.0946 -9.9842 -9.9842 -9.9704 -9.9704 -9.8412 -9.8412 -9.8087 -9.8087 -6.7879 -6.7879 2.1931 2.1931 2.5584 2.5584 2.6031 2.6031 6.2909 6.2909 8.3034 8.3034 8.3084 8.3084 9.0715 9.0715 k = 0.2838 0.1638 0.1159 ( 3001 PWs) bands (ev): -26.4780 -26.4780 -26.4252 -26.4252 -10.2359 -10.2359 -10.0999 -10.0999 -9.9821 -9.9821 -9.9667 -9.9667 -9.8469 -9.8469 -9.8130 -9.8130 -6.7795 -6.7795 2.1794 2.1794 2.5637 2.5637 2.6088 2.6088 6.3749 6.3749 8.3189 8.3189 8.3243 8.3243 8.9878 8.9878 k = 0.2973 0.1716 0.1214 ( 3001 PWs) bands (ev): -26.4766 -26.4766 -26.4266 -26.4266 -10.2333 -10.2333 -10.1053 -10.1053 -9.9801 -9.9801 -9.9630 -9.9630 -9.8525 -9.8525 -9.8174 -9.8174 -6.7714 -6.7714 2.1667 2.1667 2.5689 2.5689 2.6143 2.6143 6.4579 6.4579 8.3351 8.3351 8.3409 8.3409 8.9017 8.9017 k = 0.3108 0.1794 0.1269 ( 3001 PWs) bands (ev): -26.4751 -26.4751 -26.4280 -26.4280 -10.2306 -10.2306 -10.1107 -10.1107 -9.9779 -9.9779 -9.9591 -9.9591 -9.8581 -9.8581 -9.8220 -9.8220 -6.7635 -6.7635 2.1552 2.1552 2.5740 2.5740 2.6197 2.6197 6.5394 6.5394 8.3518 8.3518 8.3580 8.3580 8.8138 8.8138 k = 0.3243 0.1872 0.1324 ( 2995 PWs) bands (ev): -26.4735 -26.4735 -26.4295 -26.4295 -10.2278 -10.2278 -10.1160 -10.1160 -9.9758 -9.9758 -9.9551 -9.9551 -9.8635 -9.8635 -9.8267 -9.8267 -6.7559 -6.7559 2.1447 2.1447 2.5790 2.5790 2.6250 2.6250 6.6195 6.6195 8.3689 8.3689 8.3755 8.3755 8.7246 8.7246 k = 0.3378 0.1951 0.1379 ( 2995 PWs) bands (ev): -26.4719 -26.4719 -26.4310 -26.4310 -10.2250 -10.2250 -10.1213 -10.1213 -9.9736 -9.9736 -9.9510 -9.9510 -9.8688 -9.8688 -9.8314 -9.8314 -6.7487 -6.7487 2.1353 2.1353 2.5837 2.5837 2.6300 2.6300 6.6978 6.6978 8.3862 8.3862 8.3932 8.3932 8.6346 8.6346 k = 0.3514 0.2029 0.1434 ( 3001 PWs) bands (ev): -26.4703 -26.4703 -26.4325 -26.4325 -10.2222 -10.2222 -10.1265 -10.1265 -9.9714 -9.9714 -9.9467 -9.9467 -9.8739 -9.8739 -9.8363 -9.8363 -6.7419 -6.7419 2.1269 2.1269 2.5882 2.5882 2.6348 2.6348 6.7744 6.7744 8.4036 8.4036 8.4110 8.4110 8.5443 8.5443 k = 0.3649 0.2107 0.1490 ( 3001 PWs) bands (ev): -26.4687 -26.4687 -26.4341 -26.4341 -10.2193 -10.2193 -10.1316 -10.1316 -9.9692 -9.9692 -9.9424 -9.9424 -9.8788 -9.8788 -9.8412 -9.8412 -6.7356 -6.7356 2.1194 2.1194 2.5925 2.5925 2.6392 2.6392 6.8492 6.8492 8.4205 8.4205 8.4285 8.4285 8.4547 8.4547 k = 0.3784 0.2185 0.1545 ( 3004 PWs) bands (ev): -26.4670 -26.4670 -26.4357 -26.4357 -10.2164 -10.2164 -10.1366 -10.1366 -9.9670 -9.9670 -9.9379 -9.9379 -9.8835 -9.8835 -9.8462 -9.8462 -6.7297 -6.7297 2.1129 2.1129 2.5964 2.5964 2.6434 2.6434 6.9224 6.9224 8.3652 8.3652 8.4376 8.4376 8.4456 8.4456 k = 0.3919 0.2263 0.1600 ( 3004 PWs) bands (ev): -26.4653 -26.4653 -26.4374 -26.4374 -10.2135 -10.2135 -10.1414 -10.1414 -9.9648 -9.9648 -9.9333 -9.9333 -9.8880 -9.8880 -9.8513 -9.8513 -6.7244 -6.7244 2.1072 2.1072 2.6001 2.6001 2.6472 2.6472 6.9941 6.9941 8.2775 8.2775 8.4535 8.4535 8.4619 8.4619 k = 0.4054 0.2341 0.1655 ( 2998 PWs) bands (ev): -26.4636 -26.4636 -26.4390 -26.4390 -10.2106 -10.2106 -10.1460 -10.1460 -9.9626 -9.9626 -9.9286 -9.9286 -9.8921 -9.8921 -9.8564 -9.8564 -6.7196 -6.7196 2.1024 2.1024 2.6033 2.6033 2.6506 2.6506 7.0643 7.0643 8.1916 8.1916 8.4685 8.4685 8.4773 8.4773 k = 0.4189 0.2419 0.1710 ( 2998 PWs) bands (ev): -26.4619 -26.4619 -26.4407 -26.4407 -10.2077 -10.2077 -10.1504 -10.1504 -9.9606 -9.9606 -9.9239 -9.9239 -9.8960 -9.8960 -9.8615 -9.8615 -6.7154 -6.7154 2.0984 2.0984 2.6062 2.6062 2.6536 2.6536 7.1330 7.1330 8.1079 8.1079 8.4822 8.4822 8.4914 8.4914 k = 0.4324 0.2497 0.1765 ( 2998 PWs) bands (ev): -26.4601 -26.4601 -26.4424 -26.4424 -10.2049 -10.2049 -10.1544 -10.1544 -9.9586 -9.9586 -9.9191 -9.9191 -9.8995 -9.8995 -9.8666 -9.8666 -6.7118 -6.7118 2.0950 2.0950 2.6087 2.6087 2.6562 2.6562 7.2003 7.2003 8.0271 8.0271 8.4944 8.4944 8.5038 8.5038 k = 0.4459 0.2575 0.1821 ( 3007 PWs) bands (ev): -26.4584 -26.4584 -26.4442 -26.4442 -10.2022 -10.2022 -10.1582 -10.1582 -9.9568 -9.9568 -9.9143 -9.9143 -9.9025 -9.9025 -9.8717 -9.8717 -6.7089 -6.7089 2.0923 2.0923 2.6107 2.6107 2.6584 2.6584 7.2656 7.2656 7.9501 7.9501 8.5048 8.5048 8.5145 8.5145 k = 0.4595 0.2653 0.1876 ( 3013 PWs) bands (ev): -26.4566 -26.4566 -26.4459 -26.4459 -10.1998 -10.1998 -10.1614 -10.1614 -9.9553 -9.9553 -9.9095 -9.9095 -9.9050 -9.9050 -9.8768 -9.8768 -6.7066 -6.7066 2.0903 2.0903 2.6123 2.6123 2.6601 2.6601 7.3277 7.3277 7.8784 7.8784 8.5132 8.5132 8.5231 8.5231 k = 0.4730 0.2731 0.1931 ( 3013 PWs) bands (ev): -26.4548 -26.4548 -26.4477 -26.4477 -10.1979 -10.1979 -10.1640 -10.1640 -9.9541 -9.9541 -9.9069 -9.9069 -9.9048 -9.9048 -9.8816 -9.8816 -6.7049 -6.7049 2.0889 2.0889 2.6135 2.6135 2.6613 2.6613 7.3837 7.3837 7.8154 7.8154 8.5193 8.5193 8.5293 8.5293 k = 0.4865 0.2809 0.1986 ( 3013 PWs) bands (ev): -26.4530 -26.4530 -26.4495 -26.4495 -10.1965 -10.1965 -10.1657 -10.1657 -9.9534 -9.9534 -9.9081 -9.9081 -9.9005 -9.9005 -9.8859 -9.8859 -6.7039 -6.7039 2.0880 2.0880 2.6142 2.6142 2.6620 2.6620 7.4267 7.4267 7.7682 7.7682 8.5230 8.5230 8.5332 8.5332 k = 0.5000 0.2887 0.2041 ( 2998 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.1960 -10.1960 -10.1663 -10.1663 -9.9531 -9.9531 -9.9084 -9.9084 -9.8984 -9.8984 -9.8881 -9.8881 -6.7035 -6.7035 2.0877 2.0877 2.6144 2.6144 2.6623 2.6623 7.4438 7.4438 7.7496 7.7496 8.5243 8.5243 8.5345 8.5345 k = 0.5000 0.2887 0.2041 ( 2998 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.1960 -10.1960 -10.1663 -10.1663 -9.9531 -9.9531 -9.9084 -9.9084 -9.8984 -9.8984 -9.8881 -9.8881 -6.7035 -6.7035 2.0877 2.0877 2.6144 2.6144 2.6623 2.6623 7.4438 7.4438 7.7496 7.7496 8.5243 8.5243 8.5345 8.5345 k = 0.5046 0.2753 0.2117 ( 3010 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.1964 -10.1964 -10.1665 -10.1665 -9.9537 -9.9537 -9.9098 -9.9098 -9.8975 -9.8975 -9.8865 -9.8865 -6.7034 -6.7034 2.0883 2.0883 2.6140 2.6140 2.6619 2.6619 7.4388 7.4388 7.7520 7.7520 8.5267 8.5267 8.5371 8.5371 k = 0.5093 0.2619 0.2192 ( 3012 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.1976 -10.1976 -10.1671 -10.1671 -9.9554 -9.9554 -9.9131 -9.9131 -9.8948 -9.8948 -9.8826 -9.8826 -6.7031 -6.7031 2.0900 2.0900 2.6129 2.6129 2.6608 2.6608 7.4239 7.4239 7.7591 7.7591 8.5326 8.5326 8.5459 8.5459 k = 0.5139 0.2486 0.2268 ( 3015 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.1996 -10.1996 -10.1680 -10.1680 -9.9578 -9.9578 -9.9171 -9.9171 -9.8909 -9.8909 -9.8776 -9.8776 -6.7025 -6.7025 2.0927 2.0927 2.6107 2.6107 2.6592 2.6592 7.4002 7.4002 7.7710 7.7710 8.5405 8.5405 8.5613 8.5613 k = 0.5185 0.2352 0.2344 ( 3015 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.2023 -10.2023 -10.1694 -10.1694 -9.9607 -9.9607 -9.9212 -9.9212 -9.8859 -9.8859 -9.8719 -9.8719 -6.7016 -6.7016 2.0966 2.0966 2.6074 2.6074 2.6575 2.6575 7.3687 7.3687 7.7874 7.7874 8.5505 8.5505 8.5817 8.5817 k = 0.5231 0.2219 0.2419 ( 3019 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.2057 -10.2057 -10.1711 -10.1711 -9.9639 -9.9639 -9.9251 -9.9251 -9.8803 -9.8803 -9.8658 -9.8658 -6.7006 -6.7006 2.1015 2.1015 2.6025 2.6025 2.6559 2.6559 7.3310 7.3310 7.8080 7.8080 8.5630 8.5630 8.6049 8.6049 k = 0.5278 0.2085 0.2495 ( 3021 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.2097 -10.2097 -10.1732 -10.1732 -9.9672 -9.9672 -9.9287 -9.9287 -9.8744 -9.8744 -9.8594 -9.8594 -6.6993 -6.6993 2.1074 2.1074 2.5960 2.5960 2.6548 2.6548 7.2885 7.2885 7.8328 7.8328 8.5781 8.5781 8.6291 8.6291 k = 0.5324 0.1951 0.2570 ( 3017 PWs) bands (ev): -26.4513 -26.4513 -26.4511 -26.4511 -10.2143 -10.2143 -10.1757 -10.1757 -9.9705 -9.9705 -9.9318 -9.9318 -9.8683 -9.8683 -9.8528 -9.8528 -6.6978 -6.6978 2.1142 2.1142 2.5877 2.5877 2.6543 2.6543 7.2423 7.2423 7.8612 7.8612 8.5959 8.5959 8.6527 8.6527 k = 0.5370 0.1818 0.2646 ( 3023 PWs) bands (ev): -26.4514 -26.4514 -26.4511 -26.4511 -10.2193 -10.2193 -10.1784 -10.1784 -9.9740 -9.9740 -9.9343 -9.9343 -9.8621 -9.8621 -9.8460 -9.8460 -6.6962 -6.6962 2.1219 2.1219 2.5779 2.5779 2.6544 2.6544 7.1935 7.1935 7.8929 7.8929 8.6162 8.6163 8.6743 8.6743 k = 0.5417 0.1684 0.2722 ( 3029 PWs) bands (ev): -26.4515 -26.4515 -26.4510 -26.4510 -10.2248 -10.2248 -10.1814 -10.1814 -9.9775 -9.9775 -9.9362 -9.9362 -9.8561 -9.8561 -9.8391 -9.8391 -6.6943 -6.6943 2.1304 2.1304 2.5666 2.5666 2.6551 2.6551 7.1432 7.1432 7.9273 7.9273 8.6392 8.6392 8.6932 8.6932 k = 0.5463 0.1550 0.2797 ( 3029 PWs) bands (ev): -26.4515 -26.4515 -26.4509 -26.4509 -10.2306 -10.2306 -10.1845 -10.1845 -9.9812 -9.9812 -9.9375 -9.9375 -9.8501 -9.8501 -9.8322 -9.8322 -6.6924 -6.6924 2.1395 2.1395 2.5543 2.5543 2.6562 2.6562 7.0920 7.0920 7.9638 7.9638 8.6647 8.6647 8.7088 8.7088 k = 0.5509 0.1417 0.2873 ( 3029 PWs) bands (ev): -26.4516 -26.4516 -26.4508 -26.4508 -10.2366 -10.2366 -10.1879 -10.1879 -9.9849 -9.9849 -9.9382 -9.9382 -9.8442 -9.8442 -9.8253 -9.8253 -6.6903 -6.6903 2.1491 2.1491 2.5411 2.5411 2.6578 2.6578 7.0406 7.0406 8.0017 8.0017 8.6926 8.6926 8.7214 8.7214 k = 0.5556 0.1283 0.2948 ( 3026 PWs) bands (ev): -26.4517 -26.4517 -26.4506 -26.4506 -10.2429 -10.2429 -10.1913 -10.1913 -9.9888 -9.9888 -9.9383 -9.9383 -9.8385 -9.8385 -9.8185 -9.8185 -6.6881 -6.6881 2.1591 2.1591 2.5273 2.5273 2.6597 2.6597 6.9896 6.9896 8.0399 8.0399 8.7219 8.7219 8.7323 8.7323 k = 0.5602 0.1149 0.3024 ( 3026 PWs) bands (ev): -26.4519 -26.4519 -26.4504 -26.4504 -10.2493 -10.2493 -10.1948 -10.1948 -9.9927 -9.9927 -9.9379 -9.9379 -9.8329 -9.8329 -9.8118 -9.8118 -6.6858 -6.6858 2.1692 2.1692 2.5134 2.5134 2.6618 2.6618 6.9393 6.9393 8.0775 8.0775 8.7372 8.7372 8.7578 8.7578 k = 0.5648 0.1016 0.3100 ( 3027 PWs) bands (ev): -26.4520 -26.4520 -26.4502 -26.4502 -10.2557 -10.2557 -10.1983 -10.1983 -9.9966 -9.9966 -9.9370 -9.9370 -9.8275 -9.8275 -9.8054 -9.8054 -6.6834 -6.6834 2.1791 2.1791 2.4996 2.4996 2.6641 2.6641 6.8902 6.8902 8.1131 8.1131 8.7450 8.7450 8.7928 8.7928 k = 0.5694 0.0882 0.3175 ( 3023 PWs) bands (ev): -26.4522 -26.4522 -26.4500 -26.4500 -10.2621 -10.2621 -10.2018 -10.2018 -10.0006 -10.0006 -9.9357 -9.9357 -9.8223 -9.8223 -9.7992 -9.7992 -6.6810 -6.6810 2.1886 2.1886 2.4865 2.4865 2.6666 2.6666 6.8426 6.8426 8.1454 8.1454 8.7535 8.7535 8.8305 8.8305 k = 0.5741 0.0748 0.3251 ( 3024 PWs) bands (ev): -26.4524 -26.4524 -26.4497 -26.4497 -10.2684 -10.2684 -10.2053 -10.2053 -10.0045 -10.0045 -9.9341 -9.9341 -9.8171 -9.8171 -9.7934 -9.7934 -6.6787 -6.6787 2.1972 2.1972 2.4743 2.4743 2.6691 2.6691 6.7966 6.7966 8.1730 8.1730 8.7646 8.7646 8.8706 8.8706 k = 0.5787 0.0615 0.3326 ( 3022 PWs) bands (ev): -26.4526 -26.4526 -26.4494 -26.4494 -10.2745 -10.2745 -10.2087 -10.2087 -10.0084 -10.0084 -9.9323 -9.9323 -9.8122 -9.8122 -9.7879 -9.7879 -6.6763 -6.6763 2.2045 2.2045 2.4638 2.4638 2.6718 2.6718 6.7527 6.7527 8.1948 8.1948 8.7796 8.7796 8.9128 8.9128 k = 0.5833 0.0481 0.3402 ( 3028 PWs) bands (ev): -26.4529 -26.4529 -26.4492 -26.4492 -10.2804 -10.2804 -10.2121 -10.2121 -10.0121 -10.0121 -9.9302 -9.9302 -9.8074 -9.8074 -9.7828 -9.7828 -6.6740 -6.6740 2.2099 2.2099 2.4554 2.4554 2.6744 2.6744 6.7108 6.7108 8.2101 8.2101 8.7993 8.7993 8.9572 8.9572 k = 0.5880 0.0347 0.3478 ( 3030 PWs) bands (ev): -26.4532 -26.4532 -26.4488 -26.4488 -10.2861 -10.2861 -10.2154 -10.2154 -10.0158 -10.0158 -9.9281 -9.9281 -9.8027 -9.8027 -9.7782 -9.7782 -6.6717 -6.6717 2.2130 2.2130 2.4498 2.4498 2.6770 2.6770 6.6713 6.6713 8.2189 8.2189 8.8236 8.8236 9.0036 9.0036 k = 0.5926 0.0214 0.3553 ( 3033 PWs) bands (ev): -26.4535 -26.4535 -26.4485 -26.4485 -10.2914 -10.2914 -10.2186 -10.2186 -10.0193 -10.0193 -9.9257 -9.9257 -9.7983 -9.7983 -9.7739 -9.7739 -6.6696 -6.6696 2.2132 2.2132 2.4472 2.4472 2.6796 2.6796 6.6343 6.6343 8.2219 8.2219 8.8518 8.8518 9.0519 9.0519 k = 0.5972 0.0080 0.3629 ( 3032 PWs) bands (ev): -26.4539 -26.4539 -26.4481 -26.4481 -10.2963 -10.2963 -10.2217 -10.2217 -10.0227 -10.0227 -9.9233 -9.9233 -9.7940 -9.7940 -9.7702 -9.7702 -6.6676 -6.6676 2.2106 2.2106 2.4478 2.4478 2.6821 2.6821 6.5998 6.5998 8.2200 8.2200 8.8826 8.8826 9.1020 9.1020 k = 0.6019-0.0053 0.3704 ( 3034 PWs) bands (ev): -26.4542 -26.4542 -26.4477 -26.4477 -10.3008 -10.3008 -10.2246 -10.2246 -10.0260 -10.0260 -9.9209 -9.9209 -9.7898 -9.7898 -9.7669 -9.7669 -6.6658 -6.6658 2.2052 2.2052 2.4516 2.4516 2.6845 2.6845 6.5680 6.5680 8.2147 8.2147 8.9143 8.9143 9.1536 9.1536 k = 0.6065-0.0187 0.3780 ( 3026 PWs) bands (ev): -26.4546 -26.4546 -26.4472 -26.4472 -10.3048 -10.3048 -10.2275 -10.2275 -10.0291 -10.0291 -9.9184 -9.9184 -9.7858 -9.7858 -9.7641 -9.7641 -6.6641 -6.6641 2.1974 2.1974 2.4581 2.4581 2.6868 2.6868 6.5390 6.5390 8.2070 8.2070 8.9452 8.9452 9.2067 9.2067 k = 0.6111-0.0321 0.3856 ( 3024 PWs) bands (ev): -26.4551 -26.4551 -26.4467 -26.4467 -10.3083 -10.3083 -10.2302 -10.2302 -10.0320 -10.0320 -9.9159 -9.9159 -9.7820 -9.7820 -9.7618 -9.7618 -6.6627 -6.6627 2.1877 2.1877 2.4667 2.4667 2.6889 2.6889 6.5129 6.5129 8.1982 8.1982 8.9737 8.9737 9.2610 9.2610 k = 0.6157-0.0454 0.3931 ( 3028 PWs) bands (ev): -26.4556 -26.4556 -26.4462 -26.4462 -10.3114 -10.3114 -10.2328 -10.2328 -10.0347 -10.0347 -9.9134 -9.9134 -9.7783 -9.7783 -9.7600 -9.7600 -6.6615 -6.6615 2.1767 2.1767 2.4770 2.4770 2.6908 2.6908 6.4897 6.4897 8.1891 8.1891 8.9981 8.9981 9.3161 9.3161 k = 0.6204-0.0588 0.4007 ( 3030 PWs) bands (ev): -26.4561 -26.4561 -26.4457 -26.4457 -10.3138 -10.3138 -10.2352 -10.2352 -10.0373 -10.0373 -9.9109 -9.9109 -9.7749 -9.7749 -9.7588 -9.7588 -6.6605 -6.6605 2.1648 2.1648 2.4884 2.4884 2.6925 2.6925 6.4694 6.4694 8.1806 8.1806 9.0172 9.0172 9.3715 9.3715 k = 0.6250-0.0722 0.4082 ( 3032 PWs) bands (ev): -26.4566 -26.4566 -26.4452 -26.4452 -10.3157 -10.3157 -10.2375 -10.2375 -10.0397 -10.0397 -9.9085 -9.9085 -9.7716 -9.7716 -9.7580 -9.7580 -6.6599 -6.6599 2.1524 2.1524 2.5006 2.5006 2.6940 2.6940 6.4521 6.4521 8.1734 8.1734 9.0297 9.0297 9.4232 9.4232 k = 0.6250-0.0722 0.4082 ( 3032 PWs) bands (ev): -26.4566 -26.4566 -26.4452 -26.4452 -10.3157 -10.3157 -10.2375 -10.2375 -10.0397 -10.0397 -9.9085 -9.9085 -9.7716 -9.7716 -9.7580 -9.7580 -6.6599 -6.6599 2.1524 2.1524 2.5006 2.5006 2.6940 2.6940 6.4521 6.4521 8.1734 8.1734 9.0297 9.0297 9.4232 9.4232 k = 0.6172-0.0677 0.4210 ( 3029 PWs) bands (ev): -26.4566 -26.4566 -26.4452 -26.4452 -10.3157 -10.3157 -10.2376 -10.2376 -10.0393 -10.0393 -9.9088 -9.9088 -9.7714 -9.7714 -9.7580 -9.7580 -6.6599 -6.6599 2.1532 2.1532 2.4998 2.4998 2.6940 2.6940 6.4520 6.4520 8.1749 8.1749 9.0229 9.0229 9.4232 9.4232 k = 0.6094-0.0631 0.4338 ( 3029 PWs) bands (ev): -26.4565 -26.4565 -26.4452 -26.4452 -10.3158 -10.3158 -10.2379 -10.2379 -10.0383 -10.0383 -9.9100 -9.9100 -9.7709 -9.7709 -9.7580 -9.7580 -6.6597 -6.6597 2.1554 2.1554 2.4974 2.4974 2.6940 2.6940 6.4517 6.4517 8.1795 8.1795 9.0037 9.0037 9.4233 9.4233 k = 0.6016-0.0586 0.4465 ( 3025 PWs) bands (ev): -26.4564 -26.4564 -26.4454 -26.4454 -10.3159 -10.3159 -10.2384 -10.2384 -10.0367 -10.0367 -9.9119 -9.9119 -9.7702 -9.7702 -9.7580 -9.7580 -6.6596 -6.6596 2.1592 2.1592 2.4934 2.4934 2.6939 2.6939 6.4511 6.4511 8.1871 8.1871 8.9751 8.9751 9.4236 9.4236 k = 0.5938-0.0541 0.4593 ( 3027 PWs) bands (ev): -26.4562 -26.4562 -26.4455 -26.4455 -10.3161 -10.3161 -10.2390 -10.2390 -10.0345 -10.0345 -9.9145 -9.9145 -9.7692 -9.7692 -9.7581 -9.7581 -6.6593 -6.6593 2.1644 2.1644 2.4879 2.4879 2.6939 2.6939 6.4504 6.4504 8.1976 8.1976 8.9400 8.9400 9.4241 9.4241 k = 0.5859-0.0496 0.4720 ( 3035 PWs) bands (ev): -26.4560 -26.4560 -26.4458 -26.4458 -10.3163 -10.3163 -10.2397 -10.2397 -10.0317 -10.0317 -9.9177 -9.9177 -9.7681 -9.7681 -9.7581 -9.7581 -6.6590 -6.6590 2.1710 2.1710 2.4809 2.4809 2.6939 2.6939 6.4495 6.4495 8.2110 8.2110 8.9010 8.9010 9.4247 9.4247 k = 0.5781-0.0451 0.4848 ( 3025 PWs) bands (ev): -26.4558 -26.4558 -26.4460 -26.4460 -10.3166 -10.3166 -10.2405 -10.2405 -10.0284 -10.0284 -9.9214 -9.9214 -9.7668 -9.7668 -9.7581 -9.7581 -6.6587 -6.6587 2.1790 2.1790 2.4724 2.4724 2.6938 2.6938 6.4484 6.4484 8.2271 8.2271 8.8597 8.8597 9.4257 9.4257 k = 0.5703-0.0406 0.4976 ( 3025 PWs) bands (ev): -26.4555 -26.4555 -26.4463 -26.4463 -10.3169 -10.3169 -10.2414 -10.2414 -10.0247 -10.0247 -9.9257 -9.9257 -9.7655 -9.7655 -9.7581 -9.7581 -6.6583 -6.6583 2.1884 2.1884 2.4625 2.4625 2.6938 2.6938 6.4472 6.4472 8.2456 8.2456 8.8174 8.8174 9.4269 9.4269 k = 0.5625-0.0361 0.5103 ( 3022 PWs) bands (ev): -26.4551 -26.4551 -26.4466 -26.4466 -10.3173 -10.3173 -10.2422 -10.2422 -10.0205 -10.0205 -9.9304 -9.9304 -9.7641 -9.7641 -9.7581 -9.7581 -6.6579 -6.6579 2.1990 2.1990 2.4513 2.4513 2.6939 2.6939 6.4458 6.4458 8.2665 8.2665 8.7750 8.7750 9.4285 9.4285 k = 0.5547-0.0316 0.5231 ( 3024 PWs) bands (ev): -26.4547 -26.4547 -26.4470 -26.4470 -10.3177 -10.3177 -10.2430 -10.2430 -10.0159 -10.0159 -9.9354 -9.9354 -9.7628 -9.7628 -9.7581 -9.7581 -6.6575 -6.6575 2.2108 2.2108 2.4389 2.4389 2.6939 2.6939 6.4445 6.4445 8.2895 8.2895 8.7331 8.7331 9.4304 9.4304 k = 0.5469-0.0271 0.5358 ( 3028 PWs) bands (ev): -26.4543 -26.4543 -26.4474 -26.4474 -10.3182 -10.3182 -10.2437 -10.2437 -10.0111 -10.0111 -9.9406 -9.9406 -9.7616 -9.7616 -9.7581 -9.7581 -6.6570 -6.6570 2.2237 2.2237 2.4254 2.4254 2.6940 2.6940 6.4431 6.4431 8.3143 8.3143 8.6921 8.6921 9.4327 9.4327 k = 0.5391-0.0226 0.5486 ( 3024 PWs) bands (ev): -26.4538 -26.4538 -26.4479 -26.4479 -10.3186 -10.3186 -10.2443 -10.2443 -10.0061 -10.0061 -9.9461 -9.9461 -9.7605 -9.7605 -9.7580 -9.7580 -6.6566 -6.6566 2.2375 2.2375 2.4110 2.4110 2.6941 2.6941 6.4417 6.4417 8.3407 8.3407 8.6525 8.6525 9.4353 9.4353 k = 0.5312-0.0180 0.5613 ( 3026 PWs) bands (ev): -26.4533 -26.4533 -26.4484 -26.4484 -10.3190 -10.3190 -10.2448 -10.2448 -10.0009 -10.0009 -9.9516 -9.9516 -9.7596 -9.7596 -9.7579 -9.7579 -6.6563 -6.6563 2.2522 2.2522 2.3959 2.3959 2.6942 2.6942 6.4404 6.4404 8.3682 8.3682 8.6145 8.6145 9.4380 9.4380 k = 0.5234-0.0135 0.5741 ( 3028 PWs) bands (ev): -26.4527 -26.4527 -26.4490 -26.4490 -10.3194 -10.3194 -10.2452 -10.2452 -9.9957 -9.9957 -9.9571 -9.9571 -9.7590 -9.7590 -9.7578 -9.7578 -6.6559 -6.6559 2.2674 2.2674 2.3802 2.3802 2.6943 2.6943 6.4393 6.4393 8.3966 8.3966 8.5784 8.5784 9.4407 9.4407 k = 0.5156-0.0090 0.5869 ( 3034 PWs) bands (ev): -26.4522 -26.4522 -26.4496 -26.4496 -10.3197 -10.3197 -10.2454 -10.2454 -9.9907 -9.9907 -9.9623 -9.9623 -9.7586 -9.7586 -9.7576 -9.7576 -6.6557 -6.6557 2.2826 2.2826 2.3647 2.3647 2.6944 2.6944 6.4384 6.4384 8.4254 8.4254 8.5443 8.5443 9.4432 9.4432 k = 0.5078-0.0045 0.5996 ( 3028 PWs) bands (ev): -26.4515 -26.4515 -26.4502 -26.4502 -10.3199 -10.3199 -10.2456 -10.2456 -9.9864 -9.9864 -9.9667 -9.9667 -9.7583 -9.7583 -9.7575 -9.7575 -6.6555 -6.6555 2.2964 2.2964 2.3507 2.3507 2.6944 2.6944 6.4379 6.4379 8.4541 8.4541 8.5127 8.5127 9.4450 9.4450 k = 0.5000-0.0000 0.6124 ( 3028 PWs) bands (ev): -26.4509 -26.4509 -26.4509 -26.4509 -10.3200 -10.3200 -10.2456 -10.2456 -9.9845 -9.9845 -9.9687 -9.9687 -9.7582 -9.7582 -9.7575 -9.7575 -6.6554 -6.6554 2.3033 2.3033 2.3438 2.3438 2.6944 2.6944 6.4377 6.4377 8.4781 8.4781 8.4879 8.4879 9.4457 9.4457 k = 0.5000-0.0000 0.6124 ( 3028 PWs) bands (ev): -26.4509 -26.4509 -26.4509 -26.4509 -10.3200 -10.3200 -10.2456 -10.2456 -9.9845 -9.9845 -9.9687 -9.9687 -9.7582 -9.7582 -9.7575 -9.7575 -6.6554 -6.6554 2.3033 2.3033 2.3438 2.3438 2.6944 2.6944 6.4377 6.4377 8.4781 8.4781 8.4879 8.4879 9.4457 9.4457 k = 0.5000 0.0093 0.5992 ( 3028 PWs) bands (ev): -26.4509 -26.4509 -26.4509 -26.4509 -10.3197 -10.3197 -10.2454 -10.2454 -9.9845 -9.9845 -9.9687 -9.9687 -9.7585 -9.7585 -9.7576 -9.7576 -6.6556 -6.6556 2.3033 2.3033 2.3438 2.3438 2.6943 2.6943 6.4393 6.4393 8.4781 8.4781 8.4882 8.4882 9.4403 9.4403 k = 0.5000 0.0186 0.5860 ( 3038 PWs) bands (ev): -26.4509 -26.4509 -26.4509 -26.4509 -10.3189 -10.3189 -10.2449 -10.2449 -9.9846 -9.9846 -9.9685 -9.9685 -9.7592 -9.7592 -9.7582 -9.7582 -6.6559 -6.6559 2.3033 2.3033 2.3440 2.3440 2.6939 2.6939 6.4444 6.4444 8.4771 8.4771 8.4903 8.4903 9.4246 9.4246 k = 0.5000 0.0279 0.5729 ( 3034 PWs) bands (ev): -26.4509 -26.4509 -26.4509 -26.4509 -10.3176 -10.3176 -10.2440 -10.2440 -9.9846 -9.9846 -9.9683 -9.9683 -9.7604 -9.7604 -9.7591 -9.7591 -6.6565 -6.6565 2.3028 2.3028 2.3449 2.3449 2.6932 2.6932 6.4528 6.4528 8.4734 8.4734 8.4956 8.4956 9.3998 9.3998 k = 0.5000 0.0372 0.5597 ( 3030 PWs) bands (ev): -26.4509 -26.4509 -26.4509 -26.4509 -10.3158 -10.3158 -10.2427 -10.2427 -9.9847 -9.9847 -9.9679 -9.9679 -9.7620 -9.7620 -9.7604 -9.7604 -6.6574 -6.6574 2.3014 2.3014 2.3469 2.3469 2.6922 2.6922 6.4645 6.4645 8.4670 8.4670 8.5039 8.5039 9.3676 9.3676 k = 0.5000 0.0466 0.5465 ( 3040 PWs) bands (ev): -26.4509 -26.4509 -26.4509 -26.4509 -10.3135 -10.3135 -10.2410 -10.2410 -9.9848 -9.9848 -9.9675 -9.9675 -9.7640 -9.7640 -9.7622 -9.7622 -6.6585 -6.6585 2.2985 2.2985 2.3505 2.3505 2.6910 2.6910 6.4795 6.4795 8.4582 8.4582 8.5147 8.5147 9.3298 9.3298 k = 0.5000 0.0559 0.5334 ( 3038 PWs) bands (ev): -26.4509 -26.4509 -26.4509 -26.4509 -10.3107 -10.3107 -10.2391 -10.2391 -9.9849 -9.9849 -9.9670 -9.9670 -9.7665 -9.7665 -9.7643 -9.7643 -6.6598 -6.6598 2.2940 2.2940 2.3560 2.3560 2.6895 2.6895 6.4977 6.4977 8.4469 8.4469 8.5276 8.5276 9.2880 9.2880 k = 0.5000 0.0652 0.5202 ( 3032 PWs) bands (ev): -26.4509 -26.4509 -26.4509 -26.4509 -10.3074 -10.3074 -10.2367 -10.2367 -9.9851 -9.9851 -9.9664 -9.9664 -9.7694 -9.7694 -9.7668 -9.7668 -6.6613 -6.6613 2.2880 2.2880 2.3633 2.3633 2.6878 2.6878 6.5191 6.5191 8.4328 8.4328 8.5425 8.5425 9.2432 9.2432 k = 0.5000 0.0745 0.5070 ( 3030 PWs) bands (ev): -26.4509 -26.4509 -26.4509 -26.4509 -10.3036 -10.3036 -10.2341 -10.2341 -9.9851 -9.9851 -9.9656 -9.9656 -9.7726 -9.7726 -9.7697 -9.7697 -6.6629 -6.6629 2.2806 2.2806 2.3722 2.3722 2.6859 2.6859 6.5436 6.5436 8.4159 8.4159 8.5590 8.5590 9.1967 9.1967 k = 0.5000 0.0838 0.4938 ( 3030 PWs) bands (ev): -26.4510 -26.4510 -26.4509 -26.4509 -10.2995 -10.2995 -10.2312 -10.2312 -9.9852 -9.9852 -9.9648 -9.9648 -9.7763 -9.7763 -9.7729 -9.7729 -6.6648 -6.6648 2.2720 2.2720 2.3824 2.3824 2.6838 2.6838 6.5712 6.5712 8.3958 8.3958 8.5767 8.5767 9.1492 9.1492 k = 0.5000 0.0931 0.4807 ( 3032 PWs) bands (ev): -26.4510 -26.4510 -26.4510 -26.4510 -10.2949 -10.2949 -10.2280 -10.2280 -9.9852 -9.9852 -9.9639 -9.9639 -9.7804 -9.7804 -9.7765 -9.7765 -6.6668 -6.6668 2.2626 2.2626 2.3939 2.3939 2.6816 2.6816 6.6018 6.6018 8.3726 8.3726 8.5954 8.5954 9.1015 9.1015 k = 0.5000 0.1024 0.4675 ( 3028 PWs) bands (ev): -26.4510 -26.4510 -26.4510 -26.4510 -10.2900 -10.2900 -10.2246 -10.2246 -9.9852 -9.9852 -9.9628 -9.9628 -9.7848 -9.7848 -9.7804 -9.7804 -6.6689 -6.6689 2.2523 2.2523 2.4065 2.4065 2.6792 2.6792 6.6352 6.6352 8.3461 8.3461 8.6145 8.6145 9.0539 9.0539 k = 0.5000 0.1117 0.4543 ( 3028 PWs) bands (ev): -26.4510 -26.4510 -26.4510 -26.4510 -10.2847 -10.2847 -10.2210 -10.2210 -9.9850 -9.9850 -9.9616 -9.9616 -9.7896 -9.7896 -9.7847 -9.7847 -6.6712 -6.6712 2.2415 2.2415 2.4199 2.4199 2.6768 2.6768 6.6713 6.6713 8.3165 8.3165 8.6336 8.6336 9.0071 9.0071 k = 0.5000 0.1211 0.4412 ( 3026 PWs) bands (ev): -26.4510 -26.4510 -26.4510 -26.4510 -10.2792 -10.2792 -10.2172 -10.2172 -9.9848 -9.9848 -9.9603 -9.9603 -9.7948 -9.7948 -9.7892 -9.7892 -6.6735 -6.6735 2.2302 2.2302 2.4341 2.4341 2.6742 2.6742 6.7101 6.7101 8.2838 8.2838 8.6522 8.6522 8.9615 8.9615 k = 0.5000 0.1304 0.4280 ( 3034 PWs) bands (ev): -26.4511 -26.4511 -26.4510 -26.4510 -10.2734 -10.2734 -10.2133 -10.2133 -9.9845 -9.9845 -9.9588 -9.9588 -9.8003 -9.8003 -9.7941 -9.7941 -6.6759 -6.6759 2.2187 2.2187 2.4488 2.4488 2.6717 2.6717 6.7513 6.7513 8.2484 8.2484 8.6696 8.6696 8.9173 8.9173 k = 0.5000 0.1397 0.4148 ( 3030 PWs) bands (ev): -26.4511 -26.4511 -26.4511 -26.4511 -10.2674 -10.2674 -10.2093 -10.2093 -9.9840 -9.9840 -9.9572 -9.9572 -9.8061 -9.8061 -9.7992 -9.7992 -6.6783 -6.6783 2.2069 2.2069 2.4639 2.4639 2.6691 2.6691 6.7948 6.7948 8.2107 8.2107 8.6852 8.6852 8.8749 8.8749 k = 0.5000 0.1490 0.4017 ( 3026 PWs) bands (ev): -26.4511 -26.4511 -26.4511 -26.4511 -10.2613 -10.2613 -10.2052 -10.2052 -9.9833 -9.9833 -9.9554 -9.9554 -9.8121 -9.8121 -9.8046 -9.8046 -6.6808 -6.6808 2.1952 2.1952 2.4793 2.4793 2.6666 2.6666 6.8403 6.8403 8.1711 8.1711 8.6982 8.6982 8.8344 8.8344 k = 0.5000 0.1583 0.3885 ( 3032 PWs) bands (ev): -26.4512 -26.4512 -26.4511 -26.4511 -10.2551 -10.2551 -10.2011 -10.2011 -9.9825 -9.9825 -9.9534 -9.9534 -9.8185 -9.8185 -9.8102 -9.8102 -6.6832 -6.6832 2.1835 2.1835 2.4947 2.4947 2.6641 2.6641 6.8877 6.8877 8.1303 8.1303 8.7080 8.7080 8.7962 8.7962 k = 0.5000 0.1676 0.3753 ( 3028 PWs) bands (ev): -26.4512 -26.4512 -26.4511 -26.4511 -10.2488 -10.2488 -10.1970 -10.1970 -9.9814 -9.9814 -9.9512 -9.9512 -9.8250 -9.8250 -9.8160 -9.8160 -6.6856 -6.6856 2.1721 2.1721 2.5100 2.5100 2.6618 2.6618 6.9367 6.9367 8.0889 8.0889 8.7138 8.7138 8.7604 8.7604 k = 0.5000 0.1769 0.3622 ( 3022 PWs) bands (ev): -26.4512 -26.4512 -26.4511 -26.4511 -10.2426 -10.2426 -10.1930 -10.1930 -9.9801 -9.9801 -9.9488 -9.9488 -9.8318 -9.8318 -9.8220 -9.8220 -6.6879 -6.6879 2.1611 2.1611 2.5250 2.5250 2.6597 2.6597 6.9869 6.9869 8.0475 8.0475 8.7144 8.7144 8.7278 8.7278 k = 0.5000 0.1862 0.3490 ( 3018 PWs) bands (ev): -26.4512 -26.4512 -26.4511 -26.4511 -10.2365 -10.2365 -10.1891 -10.1891 -9.9786 -9.9786 -9.9462 -9.9462 -9.8387 -9.8387 -9.8281 -9.8281 -6.6901 -6.6901 2.1505 2.1505 2.5394 2.5394 2.6578 2.6578 7.0379 7.0379 8.0068 8.0068 8.6944 8.6944 8.7135 8.7135 k = 0.5000 0.1956 0.3358 ( 3012 PWs) bands (ev): -26.4512 -26.4512 -26.4511 -26.4511 -10.2305 -10.2305 -10.1854 -10.1854 -9.9768 -9.9768 -9.9433 -9.9433 -9.8457 -9.8457 -9.8343 -9.8343 -6.6922 -6.6922 2.1404 2.1404 2.5531 2.5531 2.6563 2.6563 7.0894 7.0894 7.9674 7.9674 8.6664 8.6664 8.7047 8.7047 k = 0.5000 0.2049 0.3226 ( 3020 PWs) bands (ev): -26.4512 -26.4512 -26.4512 -26.4512 -10.2248 -10.2248 -10.1820 -10.1820 -9.9747 -9.9747 -9.9403 -9.9403 -9.8527 -9.8527 -9.8406 -9.8406 -6.6942 -6.6942 2.1310 2.1310 2.5658 2.5658 2.6551 2.6551 7.1408 7.1408 7.9298 7.9298 8.6406 8.6406 8.6915 8.6915 k = 0.5000 0.2142 0.3095 ( 3018 PWs) bands (ev): -26.4512 -26.4512 -26.4512 -26.4512 -10.2194 -10.2194 -10.1788 -10.1788 -9.9723 -9.9723 -9.9369 -9.9369 -9.8597 -9.8597 -9.8470 -9.8470 -6.6961 -6.6961 2.1224 2.1224 2.5773 2.5773 2.6544 2.6544 7.1914 7.1914 7.8947 7.8947 8.6173 8.6173 8.6740 8.6740 k = 0.5000 0.2235 0.2963 ( 3022 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.2144 -10.2144 -10.1759 -10.1759 -9.9697 -9.9697 -9.9334 -9.9334 -9.8666 -9.8666 -9.8533 -9.8533 -6.6978 -6.6978 2.1146 2.1146 2.5873 2.5873 2.6543 2.6543 7.2404 7.2404 7.8625 7.8625 8.5967 8.5967 8.6530 8.6530 k = 0.5000 0.2328 0.2831 ( 3018 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.2099 -10.2099 -10.1734 -10.1734 -9.9668 -9.9668 -9.9296 -9.9296 -9.8733 -9.8733 -9.8596 -9.8596 -6.6993 -6.6993 2.1076 2.1076 2.5957 2.5957 2.6548 2.6548 7.2870 7.2870 7.8337 7.8337 8.5787 8.5787 8.6297 8.6297 k = 0.5000 0.2421 0.2700 ( 3018 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.2058 -10.2058 -10.1712 -10.1712 -9.9638 -9.9638 -9.9256 -9.9256 -9.8797 -9.8797 -9.8658 -9.8658 -6.7005 -6.7005 2.1017 2.1017 2.6024 2.6024 2.6559 2.6559 7.3299 7.3299 7.8087 7.8087 8.5634 8.5634 8.6055 8.6055 k = 0.5000 0.2514 0.2568 ( 3020 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.2024 -10.2024 -10.1694 -10.1694 -9.9608 -9.9608 -9.9214 -9.9214 -9.8856 -9.8856 -9.8718 -9.8718 -6.7016 -6.7016 2.0967 2.0967 2.6073 2.6073 2.6575 2.6575 7.3679 7.3679 7.7878 7.7878 8.5508 8.5508 8.5821 8.5821 k = 0.5000 0.2607 0.2436 ( 3016 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.1997 -10.1997 -10.1681 -10.1681 -9.9579 -9.9579 -9.9172 -9.9172 -9.8907 -9.8907 -9.8775 -9.8775 -6.7024 -6.7024 2.0928 2.0928 2.6107 2.6107 2.6592 2.6592 7.3997 7.3997 7.7712 7.7712 8.5406 8.5406 8.5616 8.5616 k = 0.5000 0.2701 0.2305 ( 3014 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.1977 -10.1977 -10.1671 -10.1671 -9.9554 -9.9554 -9.9131 -9.9131 -9.8948 -9.8948 -9.8826 -9.8826 -6.7031 -6.7031 2.0900 2.0900 2.6129 2.6129 2.6608 2.6608 7.4237 7.4237 7.7592 7.7592 8.5326 8.5327 8.5460 8.5460 k = 0.5000 0.2794 0.2173 ( 3010 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.1964 -10.1964 -10.1665 -10.1665 -9.9537 -9.9537 -9.9098 -9.9098 -9.8975 -9.8975 -9.8865 -9.8865 -6.7034 -6.7034 2.0883 2.0883 2.6140 2.6140 2.6619 2.6619 7.4387 7.4387 7.7520 7.7520 8.5267 8.5267 8.5371 8.5371 k = 0.5000 0.2887 0.2041 ( 2998 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.1960 -10.1960 -10.1663 -10.1663 -9.9531 -9.9531 -9.9084 -9.9084 -9.8984 -9.8984 -9.8881 -9.8881 -6.7035 -6.7035 2.0877 2.0877 2.6144 2.6144 2.6623 2.6623 7.4438 7.4438 7.7496 7.7496 8.5243 8.5243 8.5345 8.5345 k = 0.5000 0.2887 0.2041 ( 2998 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.1960 -10.1960 -10.1663 -10.1663 -9.9531 -9.9531 -9.9084 -9.9084 -9.8984 -9.8984 -9.8881 -9.8881 -6.7035 -6.7035 2.0877 2.0877 2.6144 2.6144 2.6623 2.6623 7.4438 7.4438 7.7496 7.7496 8.5243 8.5243 8.5345 8.5345 k = 0.4954 0.2860 0.2192 ( 3010 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.1964 -10.1964 -10.1665 -10.1665 -9.9537 -9.9537 -9.9098 -9.9098 -9.8975 -9.8975 -9.8865 -9.8865 -6.7034 -6.7034 2.0883 2.0883 2.6140 2.6140 2.6619 2.6619 7.4388 7.4388 7.7520 7.7520 8.5267 8.5267 8.5371 8.5371 k = 0.4907 0.2833 0.2344 ( 3012 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.1976 -10.1976 -10.1671 -10.1671 -9.9554 -9.9554 -9.9131 -9.9131 -9.8948 -9.8948 -9.8826 -9.8826 -6.7031 -6.7031 2.0900 2.0900 2.6129 2.6129 2.6608 2.6608 7.4239 7.4239 7.7591 7.7591 8.5326 8.5326 8.5459 8.5459 k = 0.4861 0.2807 0.2495 ( 3015 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.1996 -10.1996 -10.1680 -10.1680 -9.9578 -9.9578 -9.9171 -9.9171 -9.8909 -9.8909 -9.8776 -9.8776 -6.7025 -6.7025 2.0927 2.0927 2.6107 2.6107 2.6592 2.6592 7.4002 7.4002 7.7710 7.7710 8.5405 8.5405 8.5613 8.5613 k = 0.4815 0.2780 0.2646 ( 3015 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.2023 -10.2023 -10.1694 -10.1694 -9.9607 -9.9607 -9.9212 -9.9212 -9.8859 -9.8859 -9.8719 -9.8719 -6.7016 -6.7016 2.0966 2.0966 2.6074 2.6074 2.6575 2.6575 7.3687 7.3687 7.7874 7.7874 8.5505 8.5505 8.5817 8.5817 k = 0.4769 0.2753 0.2797 ( 3019 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.2057 -10.2057 -10.1711 -10.1711 -9.9639 -9.9639 -9.9251 -9.9251 -9.8803 -9.8803 -9.8658 -9.8658 -6.7006 -6.7006 2.1015 2.1015 2.6025 2.6025 2.6559 2.6559 7.3310 7.3310 7.8080 7.8080 8.5630 8.5630 8.6049 8.6049 k = 0.4722 0.2726 0.2948 ( 3021 PWs) bands (ev): -26.4513 -26.4513 -26.4512 -26.4512 -10.2097 -10.2097 -10.1732 -10.1732 -9.9672 -9.9672 -9.9287 -9.9287 -9.8744 -9.8744 -9.8594 -9.8594 -6.6993 -6.6993 2.1074 2.1074 2.5960 2.5960 2.6548 2.6548 7.2885 7.2885 7.8328 7.8328 8.5781 8.5781 8.6291 8.6291 k = 0.4676 0.2700 0.3100 ( 3017 PWs) bands (ev): -26.4513 -26.4513 -26.4511 -26.4511 -10.2143 -10.2143 -10.1757 -10.1757 -9.9705 -9.9705 -9.9318 -9.9318 -9.8683 -9.8683 -9.8528 -9.8528 -6.6978 -6.6978 2.1142 2.1142 2.5877 2.5877 2.6543 2.6543 7.2423 7.2423 7.8612 7.8612 8.5959 8.5959 8.6527 8.6527 k = 0.4630 0.2673 0.3251 ( 3023 PWs) bands (ev): -26.4514 -26.4514 -26.4511 -26.4511 -10.2193 -10.2193 -10.1784 -10.1784 -9.9740 -9.9740 -9.9343 -9.9343 -9.8621 -9.8621 -9.8460 -9.8460 -6.6962 -6.6962 2.1219 2.1219 2.5779 2.5779 2.6544 2.6544 7.1935 7.1935 7.8929 7.8929 8.6162 8.6163 8.6743 8.6743 k = 0.4583 0.2646 0.3402 ( 3029 PWs) bands (ev): -26.4515 -26.4515 -26.4510 -26.4510 -10.2248 -10.2248 -10.1814 -10.1814 -9.9775 -9.9775 -9.9362 -9.9362 -9.8561 -9.8561 -9.8391 -9.8391 -6.6943 -6.6943 2.1304 2.1304 2.5666 2.5666 2.6551 2.6551 7.1432 7.1432 7.9273 7.9273 8.6392 8.6392 8.6932 8.6932 k = 0.4537 0.2619 0.3553 ( 3029 PWs) bands (ev): -26.4515 -26.4515 -26.4509 -26.4509 -10.2306 -10.2306 -10.1845 -10.1845 -9.9812 -9.9812 -9.9375 -9.9375 -9.8501 -9.8501 -9.8322 -9.8322 -6.6924 -6.6924 2.1395 2.1395 2.5543 2.5543 2.6562 2.6562 7.0920 7.0920 7.9638 7.9638 8.6647 8.6647 8.7088 8.7088 k = 0.4491 0.2593 0.3704 ( 3029 PWs) bands (ev): -26.4516 -26.4516 -26.4508 -26.4508 -10.2366 -10.2366 -10.1879 -10.1879 -9.9849 -9.9849 -9.9382 -9.9382 -9.8442 -9.8442 -9.8253 -9.8253 -6.6903 -6.6903 2.1491 2.1491 2.5411 2.5411 2.6578 2.6578 7.0406 7.0406 8.0017 8.0017 8.6926 8.6926 8.7214 8.7214 k = 0.4444 0.2566 0.3856 ( 3026 PWs) bands (ev): -26.4517 -26.4517 -26.4506 -26.4506 -10.2429 -10.2429 -10.1913 -10.1913 -9.9888 -9.9888 -9.9383 -9.9383 -9.8385 -9.8385 -9.8185 -9.8185 -6.6881 -6.6881 2.1591 2.1591 2.5273 2.5273 2.6597 2.6597 6.9896 6.9896 8.0399 8.0399 8.7219 8.7219 8.7323 8.7323 k = 0.4398 0.2539 0.4007 ( 3026 PWs) bands (ev): -26.4519 -26.4519 -26.4504 -26.4504 -10.2493 -10.2493 -10.1948 -10.1948 -9.9927 -9.9927 -9.9379 -9.9379 -9.8329 -9.8329 -9.8118 -9.8118 -6.6858 -6.6858 2.1692 2.1692 2.5134 2.5134 2.6618 2.6618 6.9393 6.9393 8.0775 8.0775 8.7372 8.7372 8.7578 8.7578 k = 0.4352 0.2513 0.4158 ( 3027 PWs) bands (ev): -26.4520 -26.4520 -26.4502 -26.4502 -10.2557 -10.2557 -10.1983 -10.1983 -9.9966 -9.9966 -9.9370 -9.9370 -9.8275 -9.8275 -9.8054 -9.8054 -6.6834 -6.6834 2.1791 2.1791 2.4996 2.4996 2.6641 2.6641 6.8902 6.8902 8.1131 8.1131 8.7450 8.7450 8.7928 8.7928 k = 0.4306 0.2486 0.4309 ( 3023 PWs) bands (ev): -26.4522 -26.4522 -26.4500 -26.4500 -10.2621 -10.2621 -10.2018 -10.2018 -10.0006 -10.0006 -9.9357 -9.9357 -9.8223 -9.8223 -9.7992 -9.7992 -6.6810 -6.6810 2.1886 2.1886 2.4865 2.4865 2.6666 2.6666 6.8426 6.8426 8.1454 8.1454 8.7535 8.7535 8.8305 8.8305 k = 0.4259 0.2459 0.4460 ( 3024 PWs) bands (ev): -26.4524 -26.4524 -26.4497 -26.4497 -10.2684 -10.2684 -10.2053 -10.2053 -10.0045 -10.0045 -9.9341 -9.9341 -9.8171 -9.8171 -9.7934 -9.7934 -6.6787 -6.6787 2.1972 2.1972 2.4743 2.4743 2.6691 2.6691 6.7966 6.7966 8.1730 8.1730 8.7646 8.7646 8.8706 8.8706 k = 0.4213 0.2432 0.4612 ( 3022 PWs) bands (ev): -26.4526 -26.4526 -26.4494 -26.4494 -10.2745 -10.2745 -10.2087 -10.2087 -10.0084 -10.0084 -9.9323 -9.9323 -9.8122 -9.8122 -9.7879 -9.7879 -6.6763 -6.6763 2.2045 2.2045 2.4638 2.4638 2.6718 2.6718 6.7527 6.7527 8.1948 8.1948 8.7796 8.7796 8.9128 8.9128 k = 0.4167 0.2406 0.4763 ( 3028 PWs) bands (ev): -26.4529 -26.4529 -26.4492 -26.4492 -10.2804 -10.2804 -10.2121 -10.2121 -10.0121 -10.0121 -9.9302 -9.9302 -9.8074 -9.8074 -9.7828 -9.7828 -6.6740 -6.6740 2.2099 2.2099 2.4554 2.4554 2.6744 2.6744 6.7108 6.7108 8.2101 8.2101 8.7993 8.7993 8.9572 8.9572 k = 0.4120 0.2379 0.4914 ( 3030 PWs) bands (ev): -26.4532 -26.4532 -26.4488 -26.4488 -10.2861 -10.2861 -10.2154 -10.2154 -10.0158 -10.0158 -9.9281 -9.9281 -9.8027 -9.8027 -9.7782 -9.7782 -6.6717 -6.6717 2.2130 2.2130 2.4498 2.4498 2.6770 2.6770 6.6713 6.6713 8.2189 8.2189 8.8236 8.8236 9.0036 9.0036 k = 0.4074 0.2352 0.5065 ( 3033 PWs) bands (ev): -26.4535 -26.4535 -26.4485 -26.4485 -10.2914 -10.2914 -10.2186 -10.2186 -10.0193 -10.0193 -9.9257 -9.9257 -9.7983 -9.7983 -9.7739 -9.7739 -6.6696 -6.6696 2.2132 2.2132 2.4472 2.4472 2.6796 2.6796 6.6343 6.6343 8.2219 8.2219 8.8518 8.8518 9.0519 9.0519 k = 0.4028 0.2325 0.5217 ( 3032 PWs) bands (ev): -26.4539 -26.4539 -26.4481 -26.4481 -10.2963 -10.2963 -10.2217 -10.2217 -10.0227 -10.0227 -9.9233 -9.9233 -9.7940 -9.7940 -9.7702 -9.7702 -6.6676 -6.6676 2.2106 2.2106 2.4478 2.4478 2.6821 2.6821 6.5998 6.5998 8.2200 8.2200 8.8826 8.8826 9.1020 9.1020 k = 0.3981 0.2299 0.5368 ( 3034 PWs) bands (ev): -26.4542 -26.4542 -26.4477 -26.4477 -10.3008 -10.3008 -10.2246 -10.2246 -10.0260 -10.0260 -9.9209 -9.9209 -9.7898 -9.7898 -9.7669 -9.7669 -6.6658 -6.6658 2.2052 2.2052 2.4516 2.4516 2.6845 2.6845 6.5680 6.5680 8.2147 8.2147 8.9143 8.9143 9.1536 9.1536 k = 0.3935 0.2272 0.5519 ( 3026 PWs) bands (ev): -26.4546 -26.4546 -26.4472 -26.4472 -10.3048 -10.3048 -10.2275 -10.2275 -10.0291 -10.0291 -9.9184 -9.9184 -9.7858 -9.7858 -9.7641 -9.7641 -6.6641 -6.6641 2.1974 2.1974 2.4581 2.4581 2.6868 2.6868 6.5390 6.5390 8.2070 8.2070 8.9452 8.9452 9.2067 9.2067 k = 0.3889 0.2245 0.5670 ( 3024 PWs) bands (ev): -26.4551 -26.4551 -26.4467 -26.4467 -10.3083 -10.3083 -10.2302 -10.2302 -10.0320 -10.0320 -9.9159 -9.9159 -9.7820 -9.7820 -9.7618 -9.7618 -6.6627 -6.6627 2.1877 2.1877 2.4667 2.4667 2.6889 2.6889 6.5129 6.5129 8.1982 8.1982 8.9737 8.9737 9.2610 9.2610 k = 0.3843 0.2219 0.5821 ( 3028 PWs) bands (ev): -26.4556 -26.4556 -26.4462 -26.4462 -10.3114 -10.3114 -10.2328 -10.2328 -10.0347 -10.0347 -9.9134 -9.9134 -9.7783 -9.7783 -9.7600 -9.7600 -6.6615 -6.6615 2.1767 2.1767 2.4770 2.4770 2.6908 2.6908 6.4897 6.4897 8.1891 8.1891 8.9981 8.9981 9.3161 9.3161 k = 0.3796 0.2192 0.5973 ( 3030 PWs) bands (ev): -26.4561 -26.4561 -26.4457 -26.4457 -10.3138 -10.3138 -10.2352 -10.2352 -10.0373 -10.0373 -9.9109 -9.9109 -9.7749 -9.7749 -9.7588 -9.7588 -6.6605 -6.6605 2.1648 2.1648 2.4884 2.4884 2.6925 2.6925 6.4694 6.4694 8.1806 8.1806 9.0172 9.0172 9.3715 9.3715 k = 0.3750 0.2165 0.6124 ( 3032 PWs) bands (ev): -26.4566 -26.4566 -26.4452 -26.4452 -10.3157 -10.3157 -10.2375 -10.2375 -10.0397 -10.0397 -9.9085 -9.9085 -9.7716 -9.7716 -9.7580 -9.7580 -6.6599 -6.6599 2.1524 2.1524 2.5006 2.5006 2.6940 2.6940 6.4521 6.4521 8.1734 8.1734 9.0297 9.0297 9.4232 9.4232 k = 0.6250-0.0722 0.4082 ( 3032 PWs) bands (ev): -26.4566 -26.4566 -26.4452 -26.4452 -10.3157 -10.3157 -10.2375 -10.2375 -10.0397 -10.0397 -9.9085 -9.9085 -9.7716 -9.7716 -9.7580 -9.7580 -6.6599 -6.6599 2.1524 2.1524 2.5006 2.5006 2.6940 2.6940 6.4521 6.4521 8.1734 8.1734 9.0297 9.0297 9.4232 9.4232 k = 0.6172-0.0857 0.4082 ( 3030 PWs) bands (ev): -26.4576 -26.4576 -26.4442 -26.4442 -10.3183 -10.3183 -10.2412 -10.2412 -10.0434 -10.0434 -9.9044 -9.9044 -9.7663 -9.7663 -9.7572 -9.7572 -6.6591 -6.6591 2.1315 2.1315 2.5214 2.5214 2.6962 2.6962 6.4261 6.4261 8.1618 8.1618 9.0459 9.0459 9.4527 9.4527 k = 0.6094-0.0992 0.4082 ( 3030 PWs) bands (ev): -26.4585 -26.4585 -26.4433 -26.4433 -10.3206 -10.3206 -10.2448 -10.2448 -10.0469 -10.0469 -9.9006 -9.9006 -9.7613 -9.7613 -9.7564 -9.7564 -6.6585 -6.6585 2.1113 2.1113 2.5417 2.5417 2.6983 2.6983 6.4015 6.4015 8.1490 8.1490 9.0644 9.0644 9.4360 9.4360 k = 0.6016-0.1128 0.4082 ( 3018 PWs) bands (ev): -26.4592 -26.4592 -26.4424 -26.4424 -10.3228 -10.3228 -10.2483 -10.2483 -10.0502 -10.0502 -9.8968 -9.8968 -9.7571 -9.7571 -9.7551 -9.7551 -6.6581 -6.6581 2.0919 2.0919 2.5614 2.5614 2.7002 2.7002 6.3784 6.3784 8.1353 8.1353 9.0849 9.0849 9.4207 9.4207 k = 0.5938-0.1263 0.4082 ( 3024 PWs) bands (ev): -26.4601 -26.4601 -26.4416 -26.4416 -10.3247 -10.3247 -10.2515 -10.2515 -10.0532 -10.0532 -9.8933 -9.8933 -9.7555 -9.7555 -9.7515 -9.7515 -6.6577 -6.6577 2.0734 2.0734 2.5802 2.5802 2.7021 2.7021 6.3567 6.3567 8.1211 8.1211 9.1072 9.1072 9.4065 9.4065 k = 0.5859-0.1398 0.4082 ( 3024 PWs) bands (ev): -26.4608 -26.4608 -26.4409 -26.4409 -10.3265 -10.3265 -10.2547 -10.2547 -10.0560 -10.0560 -9.8900 -9.8900 -9.7548 -9.7548 -9.7474 -9.7474 -6.6575 -6.6575 2.0559 2.0559 2.5981 2.5981 2.7039 2.7039 6.3367 6.3367 8.1067 8.1067 9.1308 9.1308 9.3935 9.3935 k = 0.5781-0.1534 0.4082 ( 3020 PWs) bands (ev): -26.4614 -26.4614 -26.4402 -26.4402 -10.3280 -10.3280 -10.2576 -10.2576 -10.0586 -10.0586 -9.8869 -9.8869 -9.7541 -9.7541 -9.7436 -9.7436 -6.6574 -6.6574 2.0396 2.0396 2.6149 2.6149 2.7057 2.7057 6.3182 6.3182 8.0924 8.0924 9.1554 9.1554 9.3817 9.3817 k = 0.5703-0.1669 0.4082 ( 3016 PWs) bands (ev): -26.4620 -26.4620 -26.4396 -26.4396 -10.3294 -10.3294 -10.2603 -10.2603 -10.0609 -10.0609 -9.8841 -9.8841 -9.7536 -9.7536 -9.7400 -9.7400 -6.6573 -6.6573 2.0245 2.0245 2.6303 2.6303 2.7075 2.7075 6.3015 6.3015 8.0786 8.0786 9.1804 9.1804 9.3711 9.3711 k = 0.5625-0.1804 0.4082 ( 3024 PWs) bands (ev): -26.4626 -26.4626 -26.4391 -26.4391 -10.3306 -10.3306 -10.2628 -10.2628 -10.0630 -10.0630 -9.8815 -9.8815 -9.7531 -9.7531 -9.7368 -9.7368 -6.6573 -6.6573 2.0108 2.0108 2.6443 2.6443 2.7093 2.7093 6.2864 6.2864 8.0654 8.0654 9.2055 9.2055 9.3617 9.3617 k = 0.5547-0.1940 0.4082 ( 3016 PWs) bands (ev): -26.4631 -26.4631 -26.4385 -26.4385 -10.3316 -10.3316 -10.2651 -10.2651 -10.0648 -10.0648 -9.8792 -9.8792 -9.7527 -9.7527 -9.7339 -9.7339 -6.6573 -6.6573 1.9984 1.9984 2.6565 2.6565 2.7113 2.7113 6.2731 6.2731 8.0531 8.0531 9.2300 9.2300 9.3534 9.3534 k = 0.5469-0.2075 0.4082 ( 3014 PWs) bands (ev): -26.4635 -26.4635 -26.4381 -26.4381 -10.3325 -10.3325 -10.2671 -10.2671 -10.0664 -10.0664 -9.8771 -9.8771 -9.7523 -9.7523 -9.7314 -9.7314 -6.6574 -6.6574 1.9876 1.9876 2.6669 2.6669 2.7135 2.7135 6.2615 6.2615 8.0420 8.0420 9.2533 9.2533 9.3463 9.3463 k = 0.5391-0.2210 0.4082 ( 3006 PWs) bands (ev): -26.4639 -26.4639 -26.4377 -26.4377 -10.3332 -10.3332 -10.2688 -10.2688 -10.0678 -10.0678 -9.8754 -9.8754 -9.7520 -9.7520 -9.7293 -9.7293 -6.6574 -6.6574 1.9783 1.9783 2.6752 2.6752 2.7159 2.7159 6.2516 6.2516 8.0322 8.0322 9.2747 9.2747 9.3402 9.3402 k = 0.5312-0.2345 0.4082 ( 3014 PWs) bands (ev): -26.4642 -26.4642 -26.4374 -26.4374 -10.3337 -10.3337 -10.2702 -10.2702 -10.0689 -10.0689 -9.8740 -9.8740 -9.7517 -9.7517 -9.7275 -9.7275 -6.6575 -6.6575 1.9707 1.9707 2.6816 2.6816 2.7185 2.7185 6.2436 6.2436 8.0240 8.0240 9.2935 9.2935 9.3353 9.3353 k = 0.5234-0.2481 0.4082 ( 3018 PWs) bands (ev): -26.4644 -26.4644 -26.4372 -26.4372 -10.3342 -10.3342 -10.2713 -10.2713 -10.0697 -10.0697 -9.8729 -9.8729 -9.7515 -9.7515 -9.7261 -9.7261 -6.6575 -6.6575 1.9647 1.9647 2.6861 2.6861 2.7211 2.7211 6.2373 6.2373 8.0175 8.0175 9.3090 9.3090 9.3315 9.3315 k = 0.5156-0.2616 0.4082 ( 3020 PWs) bands (ev): -26.4646 -26.4646 -26.4370 -26.4370 -10.3345 -10.3345 -10.2721 -10.2721 -10.0704 -10.0704 -9.8721 -9.8721 -9.7514 -9.7514 -9.7252 -9.7252 -6.6576 -6.6576 1.9604 1.9604 2.6890 2.6890 2.7232 2.7232 6.2328 6.2328 8.0127 8.0127 9.3206 9.3206 9.3288 9.3288 k = 0.5078-0.2751 0.4082 ( 3024 PWs) bands (ev): -26.4647 -26.4647 -26.4369 -26.4369 -10.3346 -10.3346 -10.2726 -10.2726 -10.0707 -10.0707 -9.8716 -9.8716 -9.7513 -9.7513 -9.7246 -9.7246 -6.6576 -6.6576 1.9578 1.9578 2.6907 2.6907 2.7247 2.7247 6.2301 6.2301 8.0098 8.0098 9.3272 9.3272 9.3278 9.3278 k = 0.5000-0.2887 0.4082 ( 3026 PWs) bands (ev): -26.4647 -26.4647 -26.4369 -26.4369 -10.3347 -10.3347 -10.2728 -10.2728 -10.0709 -10.0709 -9.8714 -9.8714 -9.7513 -9.7513 -9.7244 -9.7244 -6.6576 -6.6576 1.9569 1.9569 2.6912 2.6912 2.7252 2.7252 6.2292 6.2292 8.0088 8.0088 9.3266 9.3266 9.3303 9.3303 Writing output data file K2S.save init_run : 0.23s CPU 0.37s WALL ( 1 calls) electrons : 88.76s CPU 90.13s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 88.76s CPU 90.12s 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 : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 291 calls) cegterg : 80.48s CPU 81.51s WALL ( 511 calls) Called by sum_band: Called by *egterg: h_psi : 49.52s CPU 51.54s WALL ( 8022 calls) s_psi : 1.83s CPU 1.93s WALL ( 8022 calls) g_psi : 0.08s CPU 0.10s WALL ( 7220 calls) cdiaghg : 29.30s CPU 28.26s WALL ( 7511 calls) cegterg:over : 1.96s CPU 1.96s WALL ( 7220 calls) cegterg:upda : 1.49s CPU 1.53s WALL ( 7220 calls) cegterg:last : 0.64s CPU 0.82s WALL ( 1093 calls) cdiaghg:chol : 1.35s CPU 1.47s WALL ( 7511 calls) cdiaghg:inve : 0.79s CPU 0.71s WALL ( 7511 calls) cdiaghg:para : 1.55s CPU 1.65s WALL ( 15022 calls) Called by h_psi: h_psi:vloc : 45.19s CPU 47.10s WALL ( 8022 calls) h_psi:vnl : 4.28s CPU 4.36s WALL ( 8022 calls) add_vuspsi : 2.34s CPU 2.38s WALL ( 8022 calls) General routines calbec : 1.92s CPU 1.96s WALL ( 8022 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 42.43s CPU 44.32s WALL ( 460324 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.11s WALL ( 582 calls) Parallel routines fft_scatter : 13.22s CPU 13.92s WALL ( 460347 calls) PWSCF : 1m37.25s CPU 1m46.37s WALL This run was terminated on: 20: 8:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=