Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:38: 4 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: ./HfB12.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 60 35 10 1858 840 128 Max 61 36 11 1862 853 132 Sum 2173 1285 367 66923 30467 4645 bravais-lattice index = 14 lattice parameter (alat) = 9.8574 a.u. unit-cell volume = 677.2919 (a.u.)^3 number of atoms/cell = 13 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.857428 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) B 3.00 10.81100 B( 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 0.4186046), 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 0.0795454 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 0.2045454 0.7045454), 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 0.3586957 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 0.2038044 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 0.1486487 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 0.4768519 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: 66923 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 30467 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 212, 58) NL pseudopotentials 0.33 Mb ( 106, 202) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1861) G-vector shells 0.00 Mb ( 480) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 212, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.36 Mb ( 202, 2, 58) The potential is recalculated from file : ./HfB12.save/charge-density.dat Starting wfc are 116 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.6 secs Computing kpt #: 11 total cpu time spent up to now is 9.3 secs Computing kpt #: 12 total cpu time spent up to now is 10.0 secs Computing kpt #: 13 total cpu time spent up to now is 10.6 secs Computing kpt #: 14 total cpu time spent up to now is 11.3 secs Computing kpt #: 15 total cpu time spent up to now is 12.0 secs Computing kpt #: 16 total cpu time spent up to now is 12.7 secs Computing kpt #: 17 total cpu time spent up to now is 13.5 secs Computing kpt #: 18 total cpu time spent up to now is 14.2 secs Computing kpt #: 19 total cpu time spent up to now is 15.2 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 16.9 secs Computing kpt #: 21 total cpu time spent up to now is 17.6 secs Computing kpt #: 22 total cpu time spent up to now is 18.2 secs Computing kpt #: 23 total cpu time spent up to now is 18.8 secs Computing kpt #: 24 total cpu time spent up to now is 19.4 secs Computing kpt #: 25 total cpu time spent up to now is 19.9 secs Computing kpt #: 26 total cpu time spent up to now is 20.4 secs Computing kpt #: 27 total cpu time spent up to now is 21.0 secs Computing kpt #: 28 total cpu time spent up to now is 21.5 secs Computing kpt #: 29 total cpu time spent up to now is 22.0 secs Computing kpt #: 30 total cpu time spent up to now is 22.6 secs Computing kpt #: 31 total cpu time spent up to now is 23.1 secs Computing kpt #: 32 total cpu time spent up to now is 23.6 secs Computing kpt #: 33 total cpu time spent up to now is 24.1 secs Computing kpt #: 34 total cpu time spent up to now is 24.6 secs Computing kpt #: 35 total cpu time spent up to now is 25.1 secs Computing kpt #: 36 total cpu time spent up to now is 25.6 secs Computing kpt #: 37 total cpu time spent up to now is 26.2 secs Computing kpt #: 38 total cpu time spent up to now is 26.7 secs Computing kpt #: 39 total cpu time spent up to now is 27.2 secs Computing kpt #: 40 total cpu time spent up to now is 27.7 secs Computing kpt #: 41 total cpu time spent up to now is 28.2 secs Computing kpt #: 42 total cpu time spent up to now is 28.7 secs Computing kpt #: 43 total cpu time spent up to now is 29.2 secs Computing kpt #: 44 total cpu time spent up to now is 29.7 secs Computing kpt #: 45 total cpu time spent up to now is 30.2 secs Computing kpt #: 46 total cpu time spent up to now is 30.8 secs Computing kpt #: 47 total cpu time spent up to now is 31.4 secs Computing kpt #: 48 total cpu time spent up to now is 32.0 secs Computing kpt #: 49 total cpu time spent up to now is 32.6 secs Computing kpt #: 50 total cpu time spent up to now is 33.3 secs Computing kpt #: 51 total cpu time spent up to now is 33.9 secs Computing kpt #: 52 total cpu time spent up to now is 34.5 secs Computing kpt #: 53 total cpu time spent up to now is 35.1 secs Computing kpt #: 54 total cpu time spent up to now is 35.6 secs Computing kpt #: 55 total cpu time spent up to now is 36.2 secs Computing kpt #: 56 total cpu time spent up to now is 36.7 secs Computing kpt #: 57 total cpu time spent up to now is 37.4 secs Computing kpt #: 58 total cpu time spent up to now is 38.0 secs Computing kpt #: 59 total cpu time spent up to now is 38.6 secs Computing kpt #: 60 total cpu time spent up to now is 39.3 secs Computing kpt #: 61 total cpu time spent up to now is 39.9 secs Computing kpt #: 62 total cpu time spent up to now is 40.6 secs Computing kpt #: 63 total cpu time spent up to now is 41.3 secs Computing kpt #: 64 total cpu time spent up to now is 42.0 secs Computing kpt #: 65 total cpu time spent up to now is 42.7 secs Computing kpt #: 66 total cpu time spent up to now is 43.4 secs Computing kpt #: 67 total cpu time spent up to now is 44.1 secs Computing kpt #: 68 total cpu time spent up to now is 44.8 secs Computing kpt #: 69 total cpu time spent up to now is 46.1 secs Computing kpt #: 70 total cpu time spent up to now is 46.8 secs Computing kpt #: 71 total cpu time spent up to now is 47.5 secs Computing kpt #: 72 total cpu time spent up to now is 48.1 secs Computing kpt #: 73 total cpu time spent up to now is 48.8 secs Computing kpt #: 74 total cpu time spent up to now is 49.4 secs Computing kpt #: 75 total cpu time spent up to now is 50.1 secs Computing kpt #: 76 total cpu time spent up to now is 50.7 secs Computing kpt #: 77 total cpu time spent up to now is 51.3 secs Computing kpt #: 78 total cpu time spent up to now is 51.8 secs Computing kpt #: 79 total cpu time spent up to now is 52.3 secs Computing kpt #: 80 total cpu time spent up to now is 52.9 secs Computing kpt #: 81 total cpu time spent up to now is 53.4 secs Computing kpt #: 82 total cpu time spent up to now is 53.9 secs Computing kpt #: 83 total cpu time spent up to now is 54.5 secs Computing kpt #: 84 total cpu time spent up to now is 55.0 secs Computing kpt #: 85 total cpu time spent up to now is 55.5 secs Computing kpt #: 86 total cpu time spent up to now is 56.0 secs Computing kpt #: 87 total cpu time spent up to now is 56.5 secs Computing kpt #: 88 total cpu time spent up to now is 57.0 secs Computing kpt #: 89 total cpu time spent up to now is 57.6 secs Computing kpt #: 90 total cpu time spent up to now is 58.1 secs Computing kpt #: 91 total cpu time spent up to now is 58.6 secs Computing kpt #: 92 total cpu time spent up to now is 59.2 secs Computing kpt #: 93 total cpu time spent up to now is 59.7 secs Computing kpt #: 94 total cpu time spent up to now is 60.2 secs Computing kpt #: 95 total cpu time spent up to now is 60.8 secs Computing kpt #: 96 total cpu time spent up to now is 61.3 secs Computing kpt #: 97 total cpu time spent up to now is 61.9 secs Computing kpt #: 98 total cpu time spent up to now is 62.4 secs Computing kpt #: 99 total cpu time spent up to now is 63.0 secs Computing kpt #: 100 total cpu time spent up to now is 63.5 secs Computing kpt #: 101 total cpu time spent up to now is 64.1 secs Computing kpt #: 102 total cpu time spent up to now is 64.7 secs Computing kpt #: 103 total cpu time spent up to now is 65.2 secs Computing kpt #: 104 total cpu time spent up to now is 65.8 secs Computing kpt #: 105 total cpu time spent up to now is 66.4 secs Computing kpt #: 106 total cpu time spent up to now is 67.1 secs Computing kpt #: 107 total cpu time spent up to now is 67.7 secs Computing kpt #: 108 total cpu time spent up to now is 68.3 secs Computing kpt #: 109 total cpu time spent up to now is 68.9 secs Computing kpt #: 110 total cpu time spent up to now is 69.4 secs Computing kpt #: 111 total cpu time spent up to now is 70.0 secs Computing kpt #: 112 total cpu time spent up to now is 70.6 secs Computing kpt #: 113 total cpu time spent up to now is 71.2 secs Computing kpt #: 114 total cpu time spent up to now is 71.8 secs Computing kpt #: 115 total cpu time spent up to now is 72.4 secs Computing kpt #: 116 total cpu time spent up to now is 73.1 secs Computing kpt #: 117 total cpu time spent up to now is 73.8 secs Computing kpt #: 118 total cpu time spent up to now is 74.5 secs Computing kpt #: 119 total cpu time spent up to now is 75.2 secs Computing kpt #: 120 total cpu time spent up to now is 75.9 secs Computing kpt #: 121 total cpu time spent up to now is 76.6 secs Computing kpt #: 122 total cpu time spent up to now is 77.3 secs Computing kpt #: 123 total cpu time spent up to now is 78.0 secs Computing kpt #: 124 total cpu time spent up to now is 78.7 secs Computing kpt #: 125 total cpu time spent up to now is 79.4 secs Computing kpt #: 126 total cpu time spent up to now is 80.0 secs Computing kpt #: 127 total cpu time spent up to now is 80.7 secs Computing kpt #: 128 total cpu time spent up to now is 81.4 secs Computing kpt #: 129 total cpu time spent up to now is 82.1 secs Computing kpt #: 130 total cpu time spent up to now is 82.7 secs Computing kpt #: 131 total cpu time spent up to now is 83.4 secs Computing kpt #: 132 total cpu time spent up to now is 84.0 secs Computing kpt #: 133 total cpu time spent up to now is 84.7 secs Computing kpt #: 134 total cpu time spent up to now is 85.4 secs Computing kpt #: 135 total cpu time spent up to now is 86.0 secs Computing kpt #: 136 total cpu time spent up to now is 86.7 secs Computing kpt #: 137 total cpu time spent up to now is 87.4 secs Computing kpt #: 138 total cpu time spent up to now is 88.1 secs Computing kpt #: 139 total cpu time spent up to now is 88.8 secs Computing kpt #: 140 total cpu time spent up to now is 89.5 secs Computing kpt #: 141 total cpu time spent up to now is 90.2 secs Computing kpt #: 142 total cpu time spent up to now is 90.9 secs Computing kpt #: 143 total cpu time spent up to now is 91.6 secs Computing kpt #: 144 total cpu time spent up to now is 92.3 secs Computing kpt #: 145 total cpu time spent up to now is 93.0 secs Computing kpt #: 146 total cpu time spent up to now is 93.5 secs Computing kpt #: 147 total cpu time spent up to now is 94.1 secs Computing kpt #: 148 total cpu time spent up to now is 94.7 secs Computing kpt #: 149 total cpu time spent up to now is 95.3 secs Computing kpt #: 150 total cpu time spent up to now is 95.8 secs Computing kpt #: 151 total cpu time spent up to now is 96.4 secs Computing kpt #: 152 total cpu time spent up to now is 96.9 secs Computing kpt #: 153 total cpu time spent up to now is 97.5 secs Computing kpt #: 154 total cpu time spent up to now is 98.0 secs Computing kpt #: 155 total cpu time spent up to now is 98.6 secs Computing kpt #: 156 total cpu time spent up to now is 99.1 secs Computing kpt #: 157 total cpu time spent up to now is 99.7 secs Computing kpt #: 158 total cpu time spent up to now is 100.2 secs Computing kpt #: 159 total cpu time spent up to now is 100.7 secs Computing kpt #: 160 total cpu time spent up to now is 101.3 secs Computing kpt #: 161 total cpu time spent up to now is 101.8 secs Computing kpt #: 162 total cpu time spent up to now is 102.4 secs Computing kpt #: 163 total cpu time spent up to now is 102.9 secs Computing kpt #: 164 total cpu time spent up to now is 103.4 secs Computing kpt #: 165 total cpu time spent up to now is 104.0 secs Computing kpt #: 166 total cpu time spent up to now is 104.5 secs Computing kpt #: 167 total cpu time spent up to now is 105.1 secs Computing kpt #: 168 total cpu time spent up to now is 105.6 secs Computing kpt #: 169 total cpu time spent up to now is 106.1 secs Computing kpt #: 170 total cpu time spent up to now is 106.6 secs Computing kpt #: 171 total cpu time spent up to now is 107.2 secs Computing kpt #: 172 total cpu time spent up to now is 107.7 secs Computing kpt #: 173 total cpu time spent up to now is 108.2 secs Computing kpt #: 174 total cpu time spent up to now is 108.8 secs Computing kpt #: 175 total cpu time spent up to now is 109.4 secs Computing kpt #: 176 total cpu time spent up to now is 110.0 secs Computing kpt #: 177 total cpu time spent up to now is 110.7 secs Computing kpt #: 178 total cpu time spent up to now is 111.3 secs Computing kpt #: 179 total cpu time spent up to now is 112.0 secs Computing kpt #: 180 total cpu time spent up to now is 112.6 secs Computing kpt #: 181 total cpu time spent up to now is 113.3 secs Computing kpt #: 182 total cpu time spent up to now is 113.9 secs Computing kpt #: 183 total cpu time spent up to now is 114.4 secs Computing kpt #: 184 total cpu time spent up to now is 115.0 secs Computing kpt #: 185 total cpu time spent up to now is 115.6 secs Computing kpt #: 186 total cpu time spent up to now is 116.2 secs Computing kpt #: 187 total cpu time spent up to now is 116.7 secs Computing kpt #: 188 total cpu time spent up to now is 117.3 secs Computing kpt #: 189 total cpu time spent up to now is 117.8 secs Computing kpt #: 190 total cpu time spent up to now is 118.4 secs Computing kpt #: 191 total cpu time spent up to now is 118.9 secs Computing kpt #: 192 total cpu time spent up to now is 119.4 secs Computing kpt #: 193 total cpu time spent up to now is 120.0 secs Computing kpt #: 194 total cpu time spent up to now is 120.5 secs Computing kpt #: 195 total cpu time spent up to now is 121.0 secs Computing kpt #: 196 total cpu time spent up to now is 121.5 secs Computing kpt #: 197 total cpu time spent up to now is 122.1 secs Computing kpt #: 198 total cpu time spent up to now is 122.6 secs Computing kpt #: 199 total cpu time spent up to now is 123.1 secs Computing kpt #: 200 total cpu time spent up to now is 123.6 secs Computing kpt #: 201 total cpu time spent up to now is 124.1 secs Computing kpt #: 202 total cpu time spent up to now is 124.7 secs Computing kpt #: 203 total cpu time spent up to now is 125.2 secs Computing kpt #: 204 total cpu time spent up to now is 125.8 secs Computing kpt #: 205 total cpu time spent up to now is 126.3 secs Computing kpt #: 206 total cpu time spent up to now is 126.9 secs Computing kpt #: 207 total cpu time spent up to now is 127.5 secs Computing kpt #: 208 total cpu time spent up to now is 128.2 secs Computing kpt #: 209 total cpu time spent up to now is 128.8 secs Computing kpt #: 210 total cpu time spent up to now is 129.5 secs Computing kpt #: 211 total cpu time spent up to now is 130.2 secs Computing kpt #: 212 total cpu time spent up to now is 130.9 secs Computing kpt #: 213 total cpu time spent up to now is 131.6 secs Computing kpt #: 214 total cpu time spent up to now is 132.2 secs Computing kpt #: 215 total cpu time spent up to now is 132.9 secs Computing kpt #: 216 total cpu time spent up to now is 133.6 secs Computing kpt #: 217 total cpu time spent up to now is 134.3 secs Computing kpt #: 218 total cpu time spent up to now is 135.0 secs Computing kpt #: 219 total cpu time spent up to now is 135.6 secs Computing kpt #: 220 total cpu time spent up to now is 136.3 secs Computing kpt #: 221 total cpu time spent up to now is 136.9 secs Computing kpt #: 222 total cpu time spent up to now is 137.6 secs Computing kpt #: 223 total cpu time spent up to now is 138.3 secs Computing kpt #: 224 total cpu time spent up to now is 138.9 secs Computing kpt #: 225 total cpu time spent up to now is 139.6 secs Computing kpt #: 226 total cpu time spent up to now is 140.2 secs Computing kpt #: 227 total cpu time spent up to now is 140.9 secs Computing kpt #: 228 total cpu time spent up to now is 141.5 secs Computing kpt #: 229 total cpu time spent up to now is 142.1 secs Computing kpt #: 230 total cpu time spent up to now is 142.6 secs Computing kpt #: 231 total cpu time spent up to now is 143.2 secs Computing kpt #: 232 total cpu time spent up to now is 143.7 secs Computing kpt #: 233 total cpu time spent up to now is 144.3 secs Computing kpt #: 234 total cpu time spent up to now is 144.8 secs Computing kpt #: 235 total cpu time spent up to now is 145.3 secs Computing kpt #: 236 total cpu time spent up to now is 145.9 secs Computing kpt #: 237 total cpu time spent up to now is 146.4 secs Computing kpt #: 238 total cpu time spent up to now is 147.1 secs Computing kpt #: 239 total cpu time spent up to now is 147.8 secs Computing kpt #: 240 total cpu time spent up to now is 148.4 secs Computing kpt #: 241 total cpu time spent up to now is 148.9 secs Computing kpt #: 242 total cpu time spent up to now is 149.5 secs Computing kpt #: 243 total cpu time spent up to now is 150.1 secs Computing kpt #: 244 total cpu time spent up to now is 150.6 secs Computing kpt #: 245 total cpu time spent up to now is 151.2 secs Computing kpt #: 246 total cpu time spent up to now is 151.7 secs Computing kpt #: 247 total cpu time spent up to now is 152.2 secs Computing kpt #: 248 total cpu time spent up to now is 152.7 secs Computing kpt #: 249 total cpu time spent up to now is 153.3 secs Computing kpt #: 250 total cpu time spent up to now is 153.8 secs Computing kpt #: 251 total cpu time spent up to now is 154.4 secs Computing kpt #: 252 total cpu time spent up to now is 155.0 secs Computing kpt #: 253 total cpu time spent up to now is 155.6 secs Computing kpt #: 254 total cpu time spent up to now is 156.2 secs Computing kpt #: 255 total cpu time spent up to now is 156.9 secs Computing kpt #: 256 total cpu time spent up to now is 157.6 secs Computing kpt #: 257 total cpu time spent up to now is 158.3 secs Computing kpt #: 258 total cpu time spent up to now is 158.9 secs Computing kpt #: 259 total cpu time spent up to now is 159.5 secs Computing kpt #: 260 total cpu time spent up to now is 160.1 secs Computing kpt #: 261 total cpu time spent up to now is 160.7 secs Computing kpt #: 262 total cpu time spent up to now is 161.3 secs Computing kpt #: 263 total cpu time spent up to now is 161.8 secs Computing kpt #: 264 total cpu time spent up to now is 162.4 secs Computing kpt #: 265 total cpu time spent up to now is 162.9 secs Computing kpt #: 266 total cpu time spent up to now is 163.5 secs Computing kpt #: 267 total cpu time spent up to now is 164.0 secs Computing kpt #: 268 total cpu time spent up to now is 164.5 secs Computing kpt #: 269 total cpu time spent up to now is 165.1 secs Computing kpt #: 270 total cpu time spent up to now is 165.6 secs Computing kpt #: 271 total cpu time spent up to now is 166.1 secs Computing kpt #: 272 total cpu time spent up to now is 166.7 secs Computing kpt #: 273 total cpu time spent up to now is 167.2 secs Computing kpt #: 274 total cpu time spent up to now is 167.7 secs Computing kpt #: 275 total cpu time spent up to now is 168.2 secs Computing kpt #: 276 total cpu time spent up to now is 168.7 secs Computing kpt #: 277 total cpu time spent up to now is 169.3 secs Computing kpt #: 278 total cpu time spent up to now is 169.8 secs Computing kpt #: 279 total cpu time spent up to now is 170.3 secs Computing kpt #: 280 total cpu time spent up to now is 170.9 secs Computing kpt #: 281 total cpu time spent up to now is 171.4 secs Computing kpt #: 282 total cpu time spent up to now is 172.0 secs Computing kpt #: 283 total cpu time spent up to now is 172.5 secs Computing kpt #: 284 total cpu time spent up to now is 173.0 secs Computing kpt #: 285 total cpu time spent up to now is 173.6 secs Computing kpt #: 286 total cpu time spent up to now is 174.1 secs Computing kpt #: 287 total cpu time spent up to now is 174.7 secs Computing kpt #: 288 total cpu time spent up to now is 175.2 secs Computing kpt #: 289 total cpu time spent up to now is 175.7 secs Computing kpt #: 290 total cpu time spent up to now is 176.3 secs Computing kpt #: 291 total cpu time spent up to now is 176.8 secs ethr = 2.08E-08, avg # of iterations = 21.1 total cpu time spent up to now is 176.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3839 PWs) bands (ev): -51.0845 -51.0845 -25.3748 -25.3748 -17.6443 -17.6443 -17.6443 -17.6443 -3.7942 -3.7942 1.5870 1.5870 1.6392 1.6392 1.6392 1.6392 2.7544 2.7544 2.7544 2.7544 2.7631 2.7631 3.3347 3.3347 4.1869 4.1869 4.1869 4.1869 4.2144 4.2144 6.4979 6.4979 6.8030 6.8030 6.8030 6.8030 9.9948 9.9948 9.9949 9.9949 10.0156 10.0156 10.5232 10.5232 10.5232 10.5232 14.2875 14.2875 14.2875 14.2875 14.2880 14.2880 14.8139 14.8139 14.9437 14.9437 14.9438 14.9438 k = 0.0116-0.0067 0.0095 ( 3823 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6442 -17.6442 -17.6442 -17.6442 -3.7931 -3.7931 1.5820 1.5820 1.6328 1.6328 1.6353 1.6353 2.7514 2.7514 2.7600 2.7600 2.7670 2.7670 3.3414 3.3414 4.1861 4.1861 4.1879 4.1879 4.2208 4.2208 6.4994 6.4994 6.8037 6.8037 6.8039 6.8039 9.9912 9.9912 9.9935 9.9935 10.0134 10.0134 10.5161 10.5161 10.5217 10.5217 14.2797 14.2797 14.2817 14.2817 14.2959 14.2959 14.8185 14.8185 14.9461 14.9461 14.9508 14.9508 k = 0.0233-0.0134 0.0190 ( 3803 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6442 -17.6442 -17.6441 -17.6441 -3.7898 -3.7898 1.5668 1.5668 1.6146 1.6146 1.6239 1.6239 2.7381 2.7381 2.7767 2.7767 2.7827 2.7827 3.3609 3.3609 4.1835 4.1835 4.1909 4.1909 4.2399 4.2399 6.5039 6.5039 6.8056 6.8056 6.8064 6.8064 9.9802 9.9802 9.9877 9.9877 10.0083 10.0083 10.4948 10.4948 10.5173 10.5173 14.2569 14.2569 14.2635 14.2635 14.3201 14.3201 14.8324 14.8324 14.9528 14.9528 14.9711 14.9711 k = 0.0349-0.0201 0.0285 ( 3803 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6442 -17.6442 -17.6441 -17.6441 -3.7843 -3.7843 1.5400 1.5400 1.5875 1.5875 1.6056 1.6056 2.7157 2.7157 2.8036 2.8036 2.8094 2.8094 3.3918 3.3918 4.1795 4.1795 4.1959 4.1959 4.2710 4.2710 6.5115 6.5115 6.8089 6.8089 6.8108 6.8108 9.9621 9.9621 9.9739 9.9739 10.0042 10.0042 10.4599 10.4599 10.5097 10.5097 14.2209 14.2209 14.2338 14.2338 14.3597 14.3597 14.8550 14.8550 14.9628 14.9628 15.0029 15.0029 k = 0.0465-0.0269 0.0380 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6442 -17.6442 -17.6441 -17.6441 -3.7766 -3.7766 1.5002 1.5002 1.5558 1.5558 1.5813 1.5813 2.6856 2.6856 2.8399 2.8399 2.8455 2.8455 3.4318 3.4318 4.1746 4.1746 4.2030 4.2030 4.3128 4.3128 6.5221 6.5221 6.8134 6.8134 6.8174 6.8174 9.9371 9.9371 9.9515 9.9515 10.0017 10.0017 10.4124 10.4124 10.4991 10.4991 14.1736 14.1736 14.1937 14.1937 14.4138 14.4138 14.8856 14.8856 14.9744 14.9744 15.0440 15.0440 k = 0.0581-0.0336 0.0475 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6442 -17.6442 -17.6442 -17.6442 -3.7668 -3.7668 1.4480 1.4480 1.5216 1.5216 1.5522 1.5522 2.6492 2.6492 2.8845 2.8845 2.8899 2.8899 3.4781 3.4781 4.1694 4.1694 4.2120 4.2120 4.3644 4.3644 6.5358 6.5358 6.8193 6.8193 6.8265 6.8265 9.9055 9.9055 9.9218 9.9218 9.9998 9.9998 10.3534 10.3534 10.4852 10.4852 14.1166 14.1166 14.1440 14.1440 14.4809 14.4809 14.9229 14.9229 14.9864 14.9864 15.0924 15.0924 k = 0.0698-0.0403 0.0570 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6443 -17.6443 -17.6442 -17.6442 -3.7548 -3.7548 1.3859 1.3859 1.4852 1.4852 1.5191 1.5191 2.6077 2.6077 2.9364 2.9364 2.9416 2.9416 3.5274 3.5274 4.1654 4.1654 4.2230 4.2230 4.4242 4.4242 6.5524 6.5524 6.8264 6.8264 6.8386 6.8386 9.8676 9.8676 9.8859 9.8859 9.9979 9.9979 10.2840 10.2840 10.4678 10.4678 14.0513 14.0513 14.0853 14.0853 14.5594 14.5594 14.9646 14.9646 14.9978 14.9978 15.1465 15.1465 k = 0.0814-0.0470 0.0665 ( 3791 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6444 -17.6444 -17.6443 -17.6443 -3.7406 -3.7406 1.3166 1.3166 1.4469 1.4469 1.4832 1.4832 2.5622 2.5622 2.9945 2.9945 2.9995 2.9995 3.5759 3.5759 4.1646 4.1646 4.2359 4.2359 4.4914 4.4914 6.5718 6.5718 6.8349 6.8349 6.8544 6.8544 9.8238 9.8238 9.8442 9.8442 9.9958 9.9958 10.2057 10.2057 10.4469 10.4469 13.9784 13.9784 14.0184 14.0184 14.6475 14.6475 15.0072 15.0072 15.0083 15.0083 15.2053 15.2053 k = 0.0930-0.0537 0.0760 ( 3791 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6445 -17.6445 -17.6443 -17.6443 -3.7244 -3.7244 1.2418 1.2418 1.4070 1.4070 1.4452 1.4452 2.5137 2.5137 3.0580 3.0580 3.0628 3.0628 3.6191 3.6191 4.1698 4.1698 4.2509 4.2509 4.5647 4.5647 6.5937 6.5937 6.8447 6.8447 6.8747 6.8747 9.7747 9.7747 9.7973 9.7973 9.9931 9.9931 10.1196 10.1196 10.4223 10.4223 13.8985 13.8985 13.9437 13.9437 14.7428 14.7428 15.0181 15.0181 15.0449 15.0449 15.2690 15.2690 k = 0.1047-0.0604 0.0854 ( 3783 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6446 -17.6446 -17.6443 -17.6443 -3.7060 -3.7060 1.1631 1.1631 1.3658 1.3658 1.4058 1.4058 2.4631 2.4631 3.1261 3.1261 3.1307 3.1307 3.6521 3.6521 4.1846 4.1846 4.2679 4.2679 4.6433 4.6433 6.6177 6.6177 6.8558 6.8558 6.9003 6.9003 9.7206 9.7206 9.7457 9.7457 9.9890 9.9890 10.0282 10.0282 10.3937 10.3937 13.8121 13.8121 13.8615 13.8615 14.8414 14.8414 15.0296 15.0296 15.0702 15.0702 15.3384 15.3384 k = 0.1163-0.0671 0.0949 ( 3787 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6447 -17.6447 -17.6444 -17.6444 -3.6857 -3.6857 1.0816 1.0816 1.3240 1.3240 1.3655 1.3655 2.4111 2.4111 3.1982 3.1982 3.2027 3.2027 3.6710 3.6710 4.2119 4.2119 4.2868 4.2868 4.7265 4.7265 6.6433 6.6433 6.8682 6.8682 6.9321 6.9321 9.6621 9.6621 9.6899 9.6899 9.9267 9.9267 9.9888 9.9888 10.3611 10.3611 13.7193 13.7193 13.7721 13.7721 14.9326 14.9326 15.0515 15.0515 15.0761 15.0761 15.4153 15.4153 k = 0.1279-0.0738 0.1044 ( 3787 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6449 -17.6449 -17.6444 -17.6444 -3.6633 -3.6633 0.9982 0.9982 1.2818 1.2818 1.3249 1.3249 2.3583 2.3583 3.2739 3.2739 3.2783 3.2783 3.6738 3.6738 4.2530 4.2530 4.3076 4.3076 4.8136 4.8136 6.6699 6.6699 6.8820 6.8820 6.9709 6.9709 9.5996 9.5996 9.6304 9.6304 9.8245 9.8245 9.9843 9.9843 10.3243 10.3243 13.6204 13.6204 13.6759 13.6759 14.9867 14.9867 15.0605 15.0605 15.1117 15.1117 15.5004 15.5004 k = 0.1395-0.0806 0.1139 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6451 -17.6451 -17.6445 -17.6445 -3.6389 -3.6389 0.9135 0.9135 1.2395 1.2395 1.2842 1.2842 2.3052 2.3052 3.3526 3.3526 3.3569 3.3569 3.6613 3.6613 4.3064 4.3064 4.3304 4.3304 4.9040 4.9040 6.6973 6.6973 6.8970 6.8970 7.0174 7.0174 9.5338 9.5338 9.5677 9.5677 9.7180 9.7180 9.9796 9.9796 10.2832 10.2832 13.5156 13.5156 13.5732 13.5732 15.0040 15.0040 15.0267 15.0267 15.2075 15.2075 15.5932 15.5932 k = 0.1512-0.0873 0.1234 ( 3791 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6452 -17.6452 -17.6446 -17.6446 -3.6126 -3.6126 0.8281 0.8281 1.1976 1.1976 1.2438 1.2438 2.2521 2.2521 3.4339 3.4339 3.4383 3.4383 3.6359 3.6359 4.3551 4.3551 4.3695 4.3695 4.9974 4.9974 6.7250 6.7250 6.9134 6.9134 7.0718 7.0718 9.4649 9.4649 9.5023 9.5023 9.6086 9.6086 9.9743 9.9743 10.2378 10.2378 13.4052 13.4052 13.4642 13.4642 14.9802 14.9802 15.0102 15.0102 15.3103 15.3103 15.6925 15.6925 k = 0.1628-0.0940 0.1329 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6454 -17.6454 -17.6447 -17.6447 -3.5845 -3.5845 0.7426 0.7426 1.1562 1.1562 1.2039 1.2039 2.1994 2.1994 3.5172 3.5172 3.5221 3.5221 3.6005 3.6005 4.3818 4.3818 4.4397 4.4397 5.0933 5.0933 6.7531 6.7531 6.9311 6.9311 7.1342 7.1342 9.3936 9.3936 9.4346 9.4346 9.4968 9.4968 9.9683 9.9683 10.1880 10.1880 13.2895 13.2895 13.3493 13.3493 14.9260 14.9260 15.0129 15.0129 15.4094 15.4094 15.7967 15.7967 k = 0.1744-0.1007 0.1424 ( 3803 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6456 -17.6456 -17.6448 -17.6448 -3.5545 -3.5545 0.6572 0.6572 1.1154 1.1154 1.1647 1.1647 2.1474 2.1474 3.5545 3.5545 3.6052 3.6052 3.6082 3.6082 4.4103 4.4103 4.5148 4.5148 5.1913 5.1913 6.7816 6.7816 6.9500 6.9500 7.2044 7.2044 9.3204 9.3204 9.3646 9.3646 9.3840 9.3840 9.9614 9.9614 10.1338 10.1338 13.1687 13.1687 13.2290 13.2290 14.8678 14.8678 15.0139 15.0139 15.4993 15.4993 15.9041 15.9041 k = 0.1860-0.1074 0.1519 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6457 -17.6457 -17.6449 -17.6449 -3.5228 -3.5228 0.5723 0.5723 1.0756 1.0756 1.1263 1.1263 2.0962 2.0962 3.5050 3.5050 3.6921 3.6921 3.6961 3.6961 4.4407 4.4407 4.5931 4.5931 5.2912 5.2912 6.8107 6.8107 6.9701 6.9701 7.2818 7.2818 9.2455 9.2455 9.2675 9.2675 9.2959 9.2959 9.9535 9.9535 10.0753 10.0753 13.0432 13.0432 13.1035 13.1035 14.8082 14.8082 15.0141 15.0141 15.5768 15.5768 16.0129 16.0129 k = 0.1977-0.1141 0.1614 ( 3803 PWs) bands (ev): -51.0844 -51.0844 -25.3748 -25.3748 -17.6460 -17.6460 -17.6450 -17.6450 -3.4895 -3.4895 0.4882 0.4882 1.0367 1.0367 1.0889 1.0889 2.0461 2.0461 3.4496 3.4496 3.7814 3.7814 3.7858 3.7858 4.4730 4.4730 4.6738 4.6738 5.3927 5.3927 6.8405 6.8405 6.9914 6.9914 7.3659 7.3659 9.1523 9.1523 9.1697 9.1697 9.2242 9.2242 9.9445 9.9445 10.0127 10.0127 12.9133 12.9133 12.9734 12.9734 14.7487 14.7487 15.0138 15.0138 15.6406 15.6406 16.1210 16.1210 k = 0.2093-0.1208 0.1709 ( 3791 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6461 -17.6461 -17.6451 -17.6451 -3.4545 -3.4545 0.4050 0.4050 0.9989 0.9989 1.0526 1.0526 1.9972 1.9972 3.3901 3.3901 3.8722 3.8722 3.8770 3.8770 4.5070 4.5070 4.7561 4.7561 5.4955 5.4955 6.8712 6.8712 7.0137 7.0137 7.4559 7.4559 9.0364 9.0364 9.0932 9.0932 9.1526 9.1526 9.9344 9.9344 9.9463 9.9463 12.7793 12.7793 12.8390 12.8390 14.6906 14.6906 15.0133 15.0133 15.6915 15.6915 16.2230 16.2230 k = 0.2209-0.1276 0.1804 ( 3799 PWs) bands (ev): -51.0844 -51.0844 -25.3748 -25.3748 -17.6463 -17.6463 -17.6452 -17.6452 -3.4180 -3.4180 0.3229 0.3229 0.9622 0.9622 1.0174 1.0174 1.9497 1.9497 3.3274 3.3274 3.9643 3.9643 3.9694 3.9694 4.5429 4.5429 4.8395 4.8395 5.5994 5.5994 6.9028 6.9028 7.0369 7.0369 7.5510 7.5510 8.9204 8.9204 9.0166 9.0166 9.0812 9.0812 9.8763 9.8763 9.9230 9.9230 12.6418 12.6418 12.7008 12.7008 14.6346 14.6346 15.0126 15.0126 15.7315 15.7315 16.2874 16.2874 k = 0.2326-0.1343 0.1899 ( 3799 PWs) bands (ev): -51.0844 -51.0844 -25.3748 -25.3748 -17.6465 -17.6465 -17.6453 -17.6453 -3.3801 -3.3801 0.2421 0.2421 0.9268 0.9268 0.9835 0.9835 1.9035 1.9035 3.2623 3.2623 4.0574 4.0574 4.0630 4.0630 4.5805 4.5805 4.9240 4.9240 5.7041 5.7041 6.9353 6.9353 7.0609 7.0609 7.6503 7.6503 8.8046 8.8046 8.9403 8.9403 9.0107 9.0107 9.8031 9.8031 9.9103 9.9103 12.5009 12.5009 12.5593 12.5593 14.5811 14.5811 15.0118 15.0118 15.7628 15.7628 16.2653 16.2653 k = 0.2442-0.1410 0.1994 ( 3799 PWs) bands (ev): -51.0844 -51.0844 -25.3748 -25.3748 -17.6467 -17.6467 -17.6454 -17.6454 -3.3408 -3.3408 0.1627 0.1627 0.8927 0.8927 0.9508 0.9508 1.8590 1.8590 3.1955 3.1955 4.1514 4.1514 4.1575 4.1575 4.6198 4.6198 5.0093 5.0093 5.8094 5.8094 6.9686 6.9686 7.0854 7.0854 7.7527 7.7527 8.6893 8.6893 8.8650 8.8650 8.9415 8.9415 9.7275 9.7275 9.8961 9.8961 12.3573 12.3573 12.4149 12.4149 14.5306 14.5306 15.0112 15.0112 15.7877 15.7877 16.2217 16.2217 k = 0.2558-0.1477 0.2089 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6470 -17.6470 -17.6455 -17.6455 -3.3004 -3.3004 0.0848 0.0848 0.8600 0.8600 0.9194 0.9194 1.8160 1.8160 3.1275 3.1275 4.2460 4.2460 4.2527 4.2527 4.6608 4.6608 5.0954 5.0954 5.9149 5.9149 7.0026 7.0026 7.1102 7.1102 7.8568 7.8568 8.5749 8.5749 8.7913 8.7913 8.8743 8.8743 9.6501 9.6501 9.8804 9.8804 12.2111 12.2111 12.2681 12.2681 14.4832 14.4832 15.0106 15.0106 15.8077 15.8077 16.1794 16.1794 k = 0.2674-0.1544 0.2184 ( 3799 PWs) bands (ev): -51.0844 -51.0844 -25.3748 -25.3748 -17.6472 -17.6472 -17.6455 -17.6455 -3.2589 -3.2589 0.0086 0.0086 0.8287 0.8287 0.8894 0.8894 1.7747 1.7747 3.0590 3.0590 4.3411 4.3411 4.3484 4.3484 4.7034 4.7034 5.1823 5.1823 6.0206 6.0206 7.0368 7.0368 7.1348 7.1348 7.9611 7.9611 8.4614 8.4614 8.7198 8.7198 8.8097 8.8097 9.5721 9.5721 9.8632 9.8632 12.0630 12.0630 12.1192 12.1192 14.4389 14.4389 15.0103 15.0103 15.8240 15.8240 16.1384 16.1384 k = 0.2791-0.1611 0.2279 ( 3799 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6473 -17.6473 -17.6456 -17.6456 -3.2165 -3.2165 -0.0659 -0.0659 0.7988 0.7988 0.8607 0.8607 1.7352 1.7352 2.9904 2.9904 4.4364 4.4364 4.4443 4.4443 4.7476 4.7476 5.2701 5.2701 6.1261 6.1261 7.0708 7.0708 7.1587 7.1587 8.0636 8.0636 8.3491 8.3491 8.6513 8.6513 8.7487 8.7487 9.4951 9.4951 9.8442 9.8442 11.9132 11.9132 11.9688 11.9688 14.3978 14.3978 15.0101 15.0101 15.8376 15.8376 16.0989 16.0989 k = 0.2907-0.1678 0.2374 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6476 -17.6476 -17.6457 -17.6457 -3.1733 -3.1733 -0.1386 -0.1386 0.7703 0.7703 0.8335 0.8335 1.6975 1.6975 2.9223 2.9223 4.5318 4.5318 4.5404 4.5404 4.7931 4.7931 5.3589 5.3589 6.2312 6.2312 7.1040 7.1040 7.1813 7.1813 8.1614 8.1614 8.2383 8.2383 8.5870 8.5870 8.6921 8.6921 9.4215 9.4215 9.8237 9.8237 11.7621 11.7621 11.8172 11.8172 14.3599 14.3599 15.0101 15.0101 15.8490 15.8490 16.0610 16.0610 k = 0.3023-0.1745 0.2468 ( 3815 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6478 -17.6478 -17.6459 -17.6459 -3.1294 -3.1294 -0.2094 -0.2094 0.7433 0.7433 0.8077 0.8077 1.6616 1.6616 2.8550 2.8550 4.6270 4.6270 4.6362 4.6362 4.8401 4.8401 5.4486 5.4486 6.3355 6.3355 7.1355 7.1355 7.2019 7.2019 8.1292 8.1292 8.2504 8.2504 8.5278 8.5278 8.6409 8.6409 9.3547 9.3547 9.8014 9.8014 11.6101 11.6101 11.6648 11.6648 14.3251 14.3251 15.0103 15.0103 15.8588 15.8588 16.0247 16.0247 k = 0.3140-0.1813 0.2563 ( 3815 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6480 -17.6480 -17.6459 -17.6459 -3.0852 -3.0852 -0.2782 -0.2782 0.7178 0.7178 0.7833 0.7833 1.6276 1.6276 2.7892 2.7892 4.7218 4.7218 4.7316 4.7316 4.8883 4.8883 5.5394 5.5394 6.4388 6.4388 7.1642 7.1642 7.2195 7.2195 8.0219 8.0219 8.3247 8.3247 8.4756 8.4756 8.5964 8.5964 9.3001 9.3001 9.7774 9.7774 11.4575 11.4575 11.5121 11.5121 14.2931 14.2931 15.0107 15.0107 15.8673 15.8673 15.9902 15.9902 k = 0.3256-0.1880 0.2658 ( 3796 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6481 -17.6481 -17.6460 -17.6460 -3.0408 -3.0408 -0.3448 -0.3448 0.6939 0.6939 0.7604 0.7604 1.5956 1.5956 2.7250 2.7250 4.8159 4.8159 4.8264 4.8264 4.9376 4.9376 5.6313 5.6313 6.5406 6.5406 7.1887 7.1887 7.2332 7.2332 7.9168 7.9168 8.3763 8.3763 8.4326 8.4326 8.5598 8.5598 9.2645 9.2645 9.7518 9.7518 11.3048 11.3048 11.3594 11.3594 14.2639 14.2639 15.0114 15.0114 15.8747 15.8747 15.9576 15.9576 k = 0.3372-0.1947 0.2753 ( 3796 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6482 -17.6482 -17.6461 -17.6461 -2.9964 -2.9964 -0.4092 -0.4092 0.6714 0.6714 0.7389 0.7389 1.5655 1.5655 2.6631 2.6631 4.9091 4.9091 4.9201 4.9201 4.9879 4.9879 5.7244 5.7244 6.6407 6.6407 7.2075 7.2075 7.2420 7.2420 7.8140 7.8140 8.3885 8.3885 8.4097 8.4097 8.5325 8.5325 9.2549 9.2549 9.7246 9.7246 11.1522 11.1522 11.2070 11.2070 14.2373 14.2373 15.0122 15.0122 15.8813 15.8813 15.9267 15.9267 k = 0.3488-0.2014 0.2848 ( 3820 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6485 -17.6485 -17.6463 -17.6463 -2.9523 -2.9523 -0.4711 -0.4711 0.6505 0.6505 0.7189 0.7189 1.5373 1.5373 2.6036 2.6036 5.0011 5.0011 5.0124 5.0124 5.0389 5.0389 5.8187 5.8187 6.7386 6.7386 7.2191 7.2191 7.2448 7.2448 7.7138 7.7138 8.3706 8.3706 8.3958 8.3958 8.5157 8.5157 9.2742 9.2742 9.6959 9.6959 11.0002 11.0002 11.0553 11.0553 14.2132 14.2132 15.0132 15.0132 15.8870 15.8870 15.8979 15.8979 k = 0.3605-0.2081 0.2943 ( 3812 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6486 -17.6486 -17.6463 -17.6463 -2.9088 -2.9088 -0.5305 -0.5305 0.6312 0.6312 0.7004 0.7004 1.5112 1.5112 2.5471 2.5471 5.0902 5.0902 5.0915 5.0915 5.1033 5.1033 5.9143 5.9143 6.8338 6.8338 7.2222 7.2222 7.2411 7.2411 7.6165 7.6165 8.3535 8.3535 8.3646 8.3646 8.5105 8.5105 9.3191 9.3191 9.6661 9.6661 10.8489 10.8489 10.9048 10.9048 14.1913 14.1913 15.0143 15.0143 15.8710 15.8710 15.8922 15.8922 k = 0.3721-0.2148 0.3038 ( 3812 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6487 -17.6487 -17.6464 -17.6464 -2.8661 -2.8661 -0.5871 -0.5871 0.6134 0.6134 0.6833 0.6833 1.4871 1.4871 2.4937 2.4937 5.1420 5.1420 5.1799 5.1799 5.1917 5.1917 6.0111 6.0111 6.9258 6.9258 7.2161 7.2161 7.2306 7.2306 7.5225 7.5225 8.2924 8.2924 8.3688 8.3688 8.5173 8.5173 9.3818 9.3818 9.6352 9.6352 10.6988 10.6988 10.7556 10.7556 14.1716 14.1716 15.0155 15.0155 15.8461 15.8461 15.8968 15.8968 k = 0.3837-0.2215 0.3133 ( 3812 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6489 -17.6489 -17.6465 -17.6465 -2.8248 -2.8248 -0.6407 -0.6407 0.5971 0.5971 0.6677 0.6677 1.4650 1.4650 2.4439 2.4439 5.1936 5.1936 5.2659 5.2659 5.2776 5.2776 6.1092 6.1092 7.0141 7.0141 7.2010 7.2010 7.2134 7.2134 7.4322 7.4322 8.2140 8.2140 8.3890 8.3890 8.5364 8.5364 9.4547 9.4547 9.6036 9.6036 10.5502 10.5502 10.6082 10.6082 14.1538 14.1538 15.0168 15.0168 15.8233 15.8233 15.9009 15.9009 k = 0.3953-0.2283 0.3228 ( 3820 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6491 -17.6491 -17.6465 -17.6465 -2.7852 -2.7852 -0.6910 -0.6910 0.5824 0.5824 0.6536 0.6536 1.4450 1.4450 2.3979 2.3979 5.2445 5.2445 5.3491 5.3491 5.3604 5.3604 6.2086 6.2086 7.0980 7.0980 7.1776 7.1776 7.1904 7.1904 7.3461 7.3461 8.1247 8.1247 8.4235 8.4235 8.5676 8.5676 9.5317 9.5317 9.5719 9.5719 10.4034 10.4034 10.4628 10.4628 14.1379 14.1379 15.0181 15.0181 15.8025 15.8025 15.9045 15.9045 k = 0.4070-0.2350 0.3323 ( 3820 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6492 -17.6492 -17.6466 -17.6466 -2.7477 -2.7477 -0.7376 -0.7376 0.5692 0.5692 0.6410 0.6410 1.4271 1.4271 2.3560 2.3560 5.2943 5.2943 5.4286 5.4286 5.4393 5.4393 6.3092 6.3092 7.1476 7.1476 7.1621 7.1621 7.1770 7.1770 7.2648 7.2648 8.0284 8.0284 8.4713 8.4713 8.6102 8.6102 9.5404 9.5404 9.6081 9.6081 10.2590 10.2590 10.3200 10.3200 14.1238 14.1238 15.0194 15.0194 15.7839 15.7839 15.9076 15.9076 k = 0.4186-0.2417 0.3418 ( 3816 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6493 -17.6493 -17.6466 -17.6466 -2.7128 -2.7128 -0.7803 -0.7803 0.5576 0.5576 0.6298 0.6298 1.4112 1.4112 2.3185 2.3185 5.3422 5.3422 5.5039 5.5039 5.5136 5.5136 6.4109 6.4109 7.1128 7.1128 7.1310 7.1310 7.1890 7.1890 7.2496 7.2496 7.9273 7.9273 8.5309 8.5309 8.6634 8.6634 9.5097 9.5097 9.6806 9.6806 10.1176 10.1176 10.1799 10.1799 14.1114 14.1114 15.0206 15.0206 15.7674 15.7674 15.9104 15.9104 k = 0.4302-0.2484 0.3513 ( 3820 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6494 -17.6494 -17.6467 -17.6467 -2.6811 -2.6811 -0.8185 -0.8185 0.5475 0.5475 0.6202 0.6202 1.3974 1.3974 2.2855 2.2855 5.3874 5.3874 5.5739 5.5739 5.5823 5.5823 6.5137 6.5137 7.0756 7.0756 7.0979 7.0979 7.1197 7.1197 7.3155 7.3155 7.8230 7.8230 8.6011 8.6011 8.7262 8.7262 9.4807 9.4807 9.7451 9.7451 9.9812 9.9812 10.0431 10.0431 14.1007 14.1007 15.0217 15.0217 15.7531 15.7531 15.9127 15.9127 k = 0.4419-0.2551 0.3608 ( 3824 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6495 -17.6495 -17.6468 -17.6468 -2.6530 -2.6530 -0.8520 -0.8520 0.5390 0.5390 0.6120 0.6120 1.3858 1.3858 2.2572 2.2572 5.4288 5.4288 5.6375 5.6375 5.6444 5.6444 6.6174 6.6174 7.0382 7.0382 7.0570 7.0570 7.0657 7.0657 7.3736 7.3736 7.7168 7.7168 8.6804 8.6804 8.7976 8.7976 9.4540 9.4540 9.7810 9.7810 9.8688 9.8688 9.9100 9.9100 14.0915 14.0915 15.0227 15.0227 15.7409 15.7409 15.9147 15.9147 k = 0.4535-0.2618 0.3703 ( 3836 PWs) bands (ev): -51.0844 -51.0844 -25.3754 -25.3754 -17.6496 -17.6496 -17.6468 -17.6468 -2.6291 -2.6291 -0.8801 -0.8801 0.5321 0.5321 0.6053 0.6053 1.3762 1.3762 2.2338 2.2338 5.4654 5.4654 5.6931 5.6931 5.6983 5.6983 6.7216 6.7216 7.0029 7.0029 7.0040 7.0040 7.0344 7.0344 7.4230 7.4230 7.6097 7.6097 8.7676 8.7676 8.8764 8.8764 9.4306 9.4306 9.6923 9.6923 9.7813 9.7813 9.8756 9.8756 14.0840 14.0840 15.0236 15.0236 15.7309 15.7309 15.9163 15.9163 k = 0.4651-0.2685 0.3798 ( 3828 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6497 -17.6497 -17.6468 -17.6468 -2.6099 -2.6099 -0.9025 -0.9025 0.5267 0.5267 0.6001 0.6001 1.3688 1.3688 2.2155 2.2155 5.4958 5.4958 5.7392 5.7392 5.7427 5.7427 6.8255 6.8255 6.9605 6.9605 6.9724 6.9724 7.0074 7.0074 7.4627 7.4627 7.5027 7.5027 8.8614 8.8614 8.9612 8.9612 9.4112 9.4112 9.5681 9.5681 9.6582 9.6582 9.9120 9.9120 14.0782 14.0782 15.0243 15.0243 15.7232 15.7232 15.9175 15.9175 k = 0.4767-0.2752 0.3893 ( 3828 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6497 -17.6497 -17.6468 -17.6468 -2.5958 -2.5958 -0.9189 -0.9189 0.5228 0.5228 0.5964 0.5964 1.3635 1.3635 2.2023 2.2023 5.5187 5.5187 5.7739 5.7739 5.7760 5.7760 6.9227 6.9227 6.9283 6.9283 6.9540 6.9540 6.9863 6.9863 7.3976 7.3976 7.4918 7.4918 8.9600 8.9600 9.0490 9.0490 9.3967 9.3967 9.4461 9.4461 9.5431 9.5431 9.9406 9.9406 14.0739 14.0739 15.0248 15.0248 15.7176 15.7176 15.9184 15.9184 k = 0.4884-0.2820 0.3988 ( 3812 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6496 -17.6496 -17.6468 -17.6468 -2.5872 -2.5872 -0.9287 -0.9287 0.5205 0.5205 0.5942 0.5942 1.3603 1.3603 2.1944 2.1944 5.5329 5.5329 5.7956 5.7956 5.7966 5.7966 6.9083 6.9083 6.9294 6.9294 6.9729 6.9729 7.0279 7.0279 7.3001 7.3001 7.5095 7.5095 9.0580 9.0580 9.1317 9.1317 9.3337 9.3337 9.3879 9.3879 9.4440 9.4440 9.9584 9.9584 14.0714 14.0714 15.0251 15.0251 15.7143 15.7143 15.9189 15.9189 k = 0.5000-0.2887 0.4082 ( 3812 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6496 -17.6496 -17.6468 -17.6468 -2.5843 -2.5843 -0.9321 -0.9321 0.5197 0.5197 0.5935 0.5935 1.3593 1.3593 2.1917 2.1917 5.5378 5.5378 5.8030 5.8030 5.8036 5.8036 6.9016 6.9016 6.9247 6.9247 6.9683 6.9683 7.0819 7.0819 7.2451 7.2451 7.5155 7.5155 9.1189 9.1189 9.1751 9.1751 9.2681 9.2681 9.3864 9.3864 9.3936 9.3936 9.9644 9.9644 14.0705 14.0705 15.0252 15.0252 15.7132 15.7132 15.9191 15.9191 k = 0.5000-0.2887 0.4082 ( 3812 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6496 -17.6496 -17.6468 -17.6468 -2.5843 -2.5843 -0.9321 -0.9321 0.5197 0.5197 0.5935 0.5935 1.3593 1.3593 2.1917 2.1917 5.5378 5.5378 5.8030 5.8030 5.8036 5.8036 6.9016 6.9016 6.9247 6.9247 6.9683 6.9683 7.0819 7.0819 7.2451 7.2451 7.5155 7.5155 9.1189 9.1189 9.1751 9.1751 9.2681 9.2681 9.3864 9.3864 9.3936 9.3936 9.9644 9.9644 14.0705 14.0705 15.0252 15.0252 15.7132 15.7132 15.9191 15.9191 k = 0.5000-0.2756 0.4175 ( 3812 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6496 -17.6496 -17.6468 -17.6468 -2.5839 -2.5839 -0.9312 -0.9312 0.5140 0.5140 0.5873 0.5873 1.3692 1.3692 2.1979 2.1979 5.5341 5.5341 5.7871 5.7871 5.8037 5.8037 6.9088 6.9088 6.9142 6.9142 6.9601 6.9601 7.0887 7.0887 7.2679 7.2679 7.5139 7.5139 9.1192 9.1192 9.1752 9.1752 9.2663 9.2663 9.3834 9.3834 9.3934 9.3934 9.9707 9.9707 14.0733 14.0733 15.0220 15.0220 15.6911 15.6911 15.9032 15.9032 k = 0.5000-0.2624 0.4268 ( 3824 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6497 -17.6497 -17.6468 -17.6468 -2.5827 -2.5827 -0.9284 -0.9284 0.4969 0.4969 0.5700 0.5700 1.3979 1.3979 2.2160 2.2160 5.5230 5.5230 5.7407 5.7407 5.8047 5.8047 6.8779 6.8779 6.9262 6.9262 6.9520 6.9520 7.1117 7.1117 7.3239 7.3239 7.5093 7.5093 9.1197 9.1197 9.1761 9.1761 9.2609 9.2609 9.3752 9.3752 9.3918 9.3918 9.9895 9.9895 14.0813 14.0813 15.0110 15.0110 15.6347 15.6347 15.8625 15.8625 k = 0.5000-0.2493 0.4361 ( 3828 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6497 -17.6497 -17.6469 -17.6469 -2.5807 -2.5807 -0.9238 -0.9238 0.4687 0.4687 0.5446 0.5446 1.4426 1.4426 2.2456 2.2456 5.5042 5.5042 5.6697 5.6697 5.8063 5.8063 6.8273 6.8273 6.9426 6.9426 6.9508 6.9508 7.1549 7.1549 7.3965 7.3965 7.5017 7.5017 9.1192 9.1192 9.1793 9.1793 9.2516 9.2516 9.3628 9.3628 9.3884 9.3884 10.0204 10.0204 14.0938 14.0938 14.9886 14.9886 15.5634 15.5634 15.8086 15.8086 k = 0.5000-0.2362 0.4454 ( 3830 PWs) bands (ev): -51.0844 -51.0844 -25.3754 -25.3754 -17.6497 -17.6497 -17.6469 -17.6469 -2.5781 -2.5781 -0.9174 -0.9174 0.4308 0.4308 0.5139 0.5139 1.5001 1.5001 2.2857 2.2857 5.4777 5.4777 5.5802 5.5802 5.8087 5.8087 6.7748 6.7748 6.9459 6.9459 6.9593 6.9593 7.2180 7.2180 7.4766 7.4766 7.4916 7.4916 9.1164 9.1164 9.1862 9.1862 9.2382 9.2382 9.3469 9.3469 9.3834 9.3834 10.0630 10.0630 14.1094 14.1094 14.9489 14.9489 15.4938 15.4938 15.7503 15.7503 k = 0.5000-0.2231 0.4546 ( 3830 PWs) bands (ev): -51.0844 -51.0844 -25.3754 -25.3754 -17.6496 -17.6496 -17.6469 -17.6469 -2.5747 -2.5747 -0.9091 -0.9091 0.3852 0.3852 0.4798 0.4798 1.5676 1.5676 2.3352 2.3352 5.4431 5.4431 5.4777 5.4777 5.8116 5.8116 6.7252 6.7252 6.9456 6.9456 6.9666 6.9666 7.2957 7.2957 7.4784 7.4784 7.5613 7.5613 9.1114 9.1114 9.1966 9.1966 9.2208 9.2208 9.3281 9.3281 9.3769 9.3769 10.1167 10.1167 14.1264 14.1264 14.8856 14.8856 15.4372 15.4372 15.6942 15.6942 k = 0.5000-0.2099 0.4639 ( 3818 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6496 -17.6496 -17.6469 -17.6469 -2.5706 -2.5706 -0.8990 -0.8990 0.3345 0.3345 0.4430 0.4430 1.6429 1.6429 2.3929 2.3929 5.3654 5.3654 5.4011 5.4011 5.8151 5.8151 6.6811 6.6811 6.9452 6.9452 6.9708 6.9708 7.3825 7.3825 7.4636 7.4636 7.6471 7.6471 9.1048 9.1048 9.1945 9.1945 9.2147 9.2147 9.3073 9.3073 9.3690 9.3690 10.1808 10.1808 14.1423 14.1423 14.7966 14.7966 15.3978 15.3978 15.6465 15.6465 k = 0.5000-0.1968 0.4732 ( 3818 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6495 -17.6495 -17.6469 -17.6469 -2.5660 -2.5660 -0.8870 -0.8870 0.2806 0.2806 0.4043 0.4043 1.7244 1.7244 2.4579 2.4579 5.2471 5.2471 5.3507 5.3507 5.8190 5.8190 6.6432 6.6432 6.9447 6.9447 6.9729 6.9729 7.4469 7.4469 7.4741 7.4741 7.7331 7.7331 9.0971 9.0971 9.1691 9.1691 9.2301 9.2301 9.2854 9.2854 9.3601 9.3601 10.2549 10.2549 14.1543 14.1543 14.6850 14.6850 15.3732 15.3732 15.6127 15.6127 k = 0.5000-0.1837 0.4825 ( 3814 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6495 -17.6495 -17.6469 -17.6469 -2.5610 -2.5610 -0.8732 -0.8732 0.2248 0.2248 0.3644 0.3644 1.8110 1.8110 2.5288 2.5288 5.1241 5.1241 5.2931 5.2931 5.8235 5.8235 6.6121 6.6121 6.9443 6.9443 6.9737 6.9737 7.4290 7.4290 7.5678 7.5678 7.8181 7.8181 9.0883 9.0883 9.1402 9.1402 9.2421 9.2421 9.2683 9.2683 9.3500 9.3500 10.3383 10.3383 14.1595 14.1595 14.5563 14.5563 15.3591 15.3591 15.5963 15.5963 k = 0.5000-0.1706 0.4918 ( 3820 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6495 -17.6495 -17.6470 -17.6470 -2.5555 -2.5555 -0.8576 -0.8576 0.1683 0.1683 0.3242 0.3242 1.9019 1.9019 2.6049 2.6049 4.9980 4.9980 5.2287 5.2287 5.8282 5.8282 6.5874 6.5874 6.9439 6.9439 6.9736 6.9736 7.4101 7.4101 7.6618 7.6618 7.9011 7.9011 9.0757 9.0757 9.1130 9.1130 9.2268 9.2268 9.2783 9.2783 9.3392 9.3392 10.4307 10.4307 14.1549 14.1549 14.4161 14.4161 15.3539 15.3539 15.5980 15.5980 k = 0.5000-0.1575 0.5010 ( 3820 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6494 -17.6494 -17.6471 -17.6471 -2.5497 -2.5497 -0.8402 -0.8402 0.1117 0.1117 0.2842 0.2842 1.9964 1.9964 2.6852 2.6852 4.8696 4.8696 5.1582 5.1582 5.8333 5.8333 6.5687 6.5687 6.9435 6.9435 6.9730 6.9730 7.3907 7.3907 7.7548 7.7548 7.9810 7.9810 9.0528 9.0528 9.0956 9.0956 9.1999 9.1999 9.2988 9.2988 9.3278 9.3278 10.5315 10.5315 14.1366 14.1366 14.2698 14.2698 15.3590 15.3590 15.6153 15.6153 k = 0.5000-0.1443 0.5103 ( 3816 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6494 -17.6494 -17.6471 -17.6471 -2.5438 -2.5438 -0.8209 -0.8209 0.0555 0.0555 0.2452 0.2452 2.0943 2.0943 2.7688 2.7688 4.7399 4.7399 5.0826 5.0826 5.8385 5.8385 6.5555 6.5555 6.9431 6.9431 6.9721 6.9721 7.3712 7.3712 7.8461 7.8461 8.0568 8.0568 9.0215 9.0215 9.0875 9.0875 9.1698 9.1698 9.3128 9.3128 9.3237 9.3237 10.6403 10.6403 14.0782 14.0782 14.1463 14.1463 15.3762 15.3762 15.6448 15.6448 k = 0.5000-0.1312 0.5196 ( 3814 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6493 -17.6493 -17.6471 -17.6471 -2.5378 -2.5378 -0.7998 -0.7998 0.0000 0.0000 0.2077 0.2077 2.1950 2.1950 2.8551 2.8551 4.6094 4.6094 5.0028 5.0028 5.8438 5.8438 6.5468 6.5468 6.9427 6.9427 6.9709 6.9709 7.3519 7.3519 7.9351 7.9351 8.1274 8.1274 8.9888 8.9888 9.0833 9.0833 9.1373 9.1373 9.3015 9.3015 9.3445 9.3445 10.7567 10.7567 13.9343 13.9343 14.0938 14.0938 15.4057 15.4057 15.6834 15.6834 k = 0.5000-0.1181 0.5289 ( 3810 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6492 -17.6492 -17.6472 -17.6472 -2.5318 -2.5318 -0.7769 -0.7769 -0.0544 -0.0544 0.1723 0.1723 2.2985 2.2985 2.9432 2.9432 4.4785 4.4785 4.9198 4.9198 5.8490 5.8490 6.5418 6.5418 6.9424 6.9424 6.9696 6.9696 7.3333 7.3333 8.0215 8.0215 8.1917 8.1917 8.9577 8.9577 9.0803 9.0803 9.1036 9.1036 9.2885 9.2885 9.3663 9.3663 10.8802 10.8802 13.7714 13.7714 14.0494 14.0494 15.4464 15.4464 15.7290 15.7290 k = 0.5000-0.1050 0.5381 ( 3808 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6492 -17.6492 -17.6472 -17.6472 -2.5260 -2.5260 -0.7522 -0.7522 -0.1077 -0.1077 0.1394 0.1394 2.4045 2.4045 3.0324 3.0324 4.3476 4.3476 4.8346 4.8346 5.8542 5.8542 6.5399 6.5399 6.9421 6.9421 6.9682 6.9682 7.3157 7.3157 8.1050 8.1050 8.2484 8.2484 8.9302 8.9302 9.0614 9.0614 9.0851 9.0851 9.2753 9.2753 9.3871 9.3871 11.0104 11.0104 13.6038 13.6038 14.0027 14.0027 15.4963 15.4963 15.7794 15.7794 k = 0.5000-0.0919 0.5474 ( 3806 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6491 -17.6491 -17.6472 -17.6472 -2.5206 -2.5206 -0.7258 -0.7258 -0.1596 -0.1596 0.1095 0.1095 2.5129 2.5129 3.1216 3.1216 4.2170 4.2170 4.7484 4.7484 5.8591 5.8591 6.5402 6.5402 6.9418 6.9418 6.9669 6.9669 7.2993 7.2993 8.1856 8.1856 8.2966 8.2966 8.9076 8.9076 9.0231 9.0231 9.0851 9.0851 9.2620 9.2620 9.4065 9.4065 11.1467 11.1467 13.4337 13.4337 13.9550 13.9550 15.5528 15.5528 15.8329 15.8329 k = 0.5000-0.0787 0.5567 ( 3796 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6490 -17.6490 -17.6472 -17.6472 -2.5156 -2.5156 -0.6977 -0.6977 -0.2099 -0.2099 0.0828 0.0828 2.6235 2.6235 3.2099 3.2099 4.0870 4.0870 4.6625 4.6625 5.8636 5.8636 6.5421 6.5421 6.9416 6.9416 6.9656 6.9656 7.2845 7.2845 8.2631 8.2631 8.3355 8.3355 8.8903 8.8903 8.9816 8.9816 9.0875 9.0875 9.2491 9.2491 9.4241 9.4241 11.2888 11.2888 13.2620 13.2620 13.9087 13.9087 15.6137 15.6137 15.8875 15.8875 k = 0.5000-0.0656 0.5660 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6473 -17.6473 -2.5111 -2.5111 -0.6679 -0.6679 -0.2586 -0.2586 0.0597 0.0597 2.7361 2.7361 3.2957 3.2957 3.9577 3.9577 4.5785 4.5785 5.8676 5.8676 6.5449 6.5449 6.9414 6.9414 6.9644 6.9644 7.2715 7.2715 8.3376 8.3376 8.3651 8.3651 8.8777 8.8777 8.9389 8.9389 9.0911 9.0911 9.2366 9.2366 9.4395 9.4395 11.4360 11.4360 13.0895 13.0895 13.8660 13.8660 15.6766 15.6766 15.9398 15.9398 k = 0.5000-0.0525 0.5753 ( 3804 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6474 -17.6474 -2.5073 -2.5073 -0.6366 -0.6366 -0.3055 -0.3055 0.0405 0.0405 2.8508 2.8508 3.3767 3.3767 3.8293 3.8293 4.4987 4.4987 5.8710 5.8710 6.5479 6.5479 6.9413 6.9413 6.9634 6.9634 7.2605 7.2605 8.3853 8.3853 8.4096 8.4096 8.8634 8.8634 8.9007 8.9007 9.0953 9.0953 9.2250 9.2250 9.4526 9.4526 11.5880 11.5880 12.9168 12.9168 13.8285 13.8285 15.7396 15.7396 15.9847 15.9847 k = 0.5000-0.0394 0.5845 ( 3808 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6474 -17.6474 -2.5042 -2.5042 -0.6042 -0.6042 -0.3501 -0.3501 0.0253 0.0253 2.9674 2.9674 3.4498 3.4498 3.7019 3.7019 4.4265 4.4265 5.8738 5.8738 6.5509 6.5509 6.9412 6.9412 6.9626 6.9626 7.2518 7.2518 8.3988 8.3988 8.4781 8.4781 8.8281 8.8281 8.8849 8.8849 9.0998 9.0998 9.2148 9.2148 9.4630 9.4630 11.7441 11.7441 12.7445 12.7445 13.7979 13.7979 15.8007 15.8007 16.0140 16.0140 k = 0.5000-0.0262 0.5938 ( 3820 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6490 -17.6490 -17.6475 -17.6475 -2.5020 -2.5020 -0.5713 -0.5713 -0.3917 -0.3917 0.0144 0.0144 3.0858 3.0858 3.5101 3.5101 3.5759 3.5759 4.3668 4.3668 5.8759 5.8759 6.5532 6.5532 6.9412 6.9412 6.9620 6.9620 7.2455 7.2455 8.4067 8.4067 8.5438 8.5438 8.7789 8.7789 8.8826 8.8826 9.1039 9.1039 9.2066 9.2066 9.4705 9.4705 11.9039 11.9039 12.5731 12.5731 13.7752 13.7752 15.8575 15.8575 16.0209 16.0209 k = 0.5000-0.0131 0.6031 ( 3828 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6490 -17.6490 -17.6476 -17.6476 -2.5006 -2.5006 -0.5408 -0.5408 -0.4275 -0.4275 0.0077 0.0077 3.2060 3.2060 3.4511 3.4511 3.5510 3.5510 4.3263 4.3263 5.8771 5.8771 6.5548 6.5548 6.9412 6.9412 6.9616 6.9616 7.2416 7.2416 8.4106 8.4106 8.6066 8.6066 8.7250 8.7250 8.8831 8.8831 9.1069 9.1069 9.2012 9.2012 9.4751 9.4751 12.0665 12.0665 12.4035 12.4035 13.7613 13.7613 15.9062 15.9062 16.0076 16.0076 k = 0.5000-0.0000 0.6124 ( 3828 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6490 -17.6490 -17.6476 -17.6476 -2.5001 -2.5001 -0.5249 -0.5249 -0.4452 -0.4452 0.0055 0.0055 3.3273 3.3273 3.3282 3.3282 3.5657 3.5657 4.3117 4.3117 5.8775 5.8775 6.5553 6.5553 6.9411 6.9411 6.9614 6.9614 7.2403 7.2403 8.4118 8.4118 8.6604 8.6604 8.6741 8.6741 8.8834 8.8834 9.1080 9.1080 9.1993 9.1993 9.4767 9.4767 12.2131 12.2131 12.2546 12.2546 13.7566 13.7566 15.9315 15.9315 15.9935 15.9935 k = 0.5000-0.0000 0.6124 ( 3828 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6490 -17.6490 -17.6476 -17.6476 -2.5001 -2.5001 -0.5249 -0.5249 -0.4452 -0.4452 0.0055 0.0055 3.3273 3.3273 3.3282 3.3282 3.5657 3.5657 4.3117 4.3117 5.8775 5.8775 6.5553 6.5553 6.9411 6.9411 6.9614 6.9614 7.2403 7.2403 8.4118 8.4118 8.6604 8.6604 8.6741 8.6741 8.8834 8.8834 9.1080 9.1080 9.1993 9.1993 9.4767 9.4767 12.2131 12.2131 12.2546 12.2546 13.7566 13.7566 15.9315 15.9315 15.9935 15.9935 k = 0.4922 0.0135 0.6124 ( 3828 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6490 -17.6490 -17.6476 -17.6476 -2.5008 -2.5008 -0.5332 -0.5332 -0.4383 -0.4383 0.0105 0.0105 3.2369 3.2369 3.4127 3.4127 3.5661 3.5661 4.3199 4.3199 5.8713 5.8713 6.5420 6.5420 6.9490 6.9490 6.9705 6.9705 7.2408 7.2408 8.4022 8.4022 8.6250 8.6250 8.7132 8.7132 8.8785 8.8785 9.1090 9.1090 9.2020 9.2020 9.4815 9.4815 12.1180 12.1180 12.3512 12.3512 13.7604 13.7604 15.9115 15.9115 16.0016 16.0016 k = 0.4844 0.0271 0.6124 ( 3818 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6490 -17.6490 -17.6475 -17.6475 -2.5025 -2.5025 -0.5507 -0.5507 -0.4265 -0.4265 0.0264 0.0264 3.1370 3.1370 3.4991 3.4991 3.5651 3.5651 4.3426 4.3426 5.8524 5.8524 6.5061 6.5061 6.9652 6.9652 7.0012 7.0012 7.2423 7.2423 8.3801 8.3801 8.5811 8.5811 8.7623 8.7623 8.8659 8.8659 9.1077 9.1077 9.2130 9.2130 9.4947 9.4947 12.0073 12.0073 12.4666 12.4666 13.7720 13.7720 15.8632 15.8632 16.0108 16.0108 k = 0.4766 0.0406 0.6124 ( 3808 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6474 -17.6474 -2.5051 -2.5051 -0.5705 -0.5705 -0.4173 -0.4173 0.0536 0.0536 3.0321 3.0321 3.5617 3.5617 3.5868 3.5868 4.3768 4.3768 5.8212 5.8212 6.4552 6.4552 6.9863 6.9863 7.0488 7.0488 7.2452 7.2452 8.3519 8.3519 8.5351 8.5351 8.8057 8.8057 8.8528 8.8528 9.1010 9.1010 9.2328 9.2328 9.5141 9.5141 11.8985 11.8985 12.5830 12.5830 13.7914 13.7914 15.7962 15.7962 16.0101 16.0101 k = 0.4688 0.0541 0.6124 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6474 -17.6474 -2.5083 -2.5083 -0.5901 -0.5901 -0.4130 -0.4130 0.0915 0.0915 2.9246 2.9246 3.5565 3.5565 3.6757 3.6757 4.4200 4.4200 5.7786 5.7786 6.3955 6.3955 7.0126 7.0126 7.1053 7.1053 7.2501 7.2501 8.3209 8.3209 8.4872 8.4872 8.8120 8.8120 8.8700 8.8700 9.0903 9.0903 9.2586 9.2586 9.5383 9.5383 11.7924 11.7924 12.6997 12.6997 13.8186 13.8186 15.7139 15.7139 15.9983 15.9983 k = 0.4609 0.0677 0.6124 ( 3805 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6473 -17.6473 -2.5120 -2.5120 -0.6088 -0.6088 -0.4132 -0.4132 0.1384 0.1384 2.8164 2.8164 3.5499 3.5499 3.7658 3.7658 4.4698 4.4698 5.7259 5.7259 6.3308 6.3308 7.0422 7.0422 7.1664 7.1664 7.2586 7.2586 8.2890 8.2890 8.4375 8.4375 8.7912 8.7912 8.9073 8.9073 9.0777 9.0777 9.2870 9.2870 9.5663 9.5663 11.6894 11.6894 12.8164 12.8164 13.8533 13.8533 15.6196 15.6196 15.9780 15.9780 k = 0.4531 0.0812 0.6124 ( 3803 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6473 -17.6473 -2.5159 -2.5159 -0.6261 -0.6261 -0.4168 -0.4168 0.1923 0.1923 2.7088 2.7088 3.5425 3.5425 3.8570 3.8570 4.5246 4.5246 5.6645 5.6645 6.2633 6.2633 7.0721 7.0721 7.2294 7.2294 7.2729 7.2729 8.2572 8.2572 8.3863 8.3863 8.7661 8.7661 8.9422 8.9422 9.0648 9.0648 9.3161 9.3161 9.5973 9.5973 11.5902 11.5902 12.9329 12.9329 13.8949 13.8949 15.5161 15.5161 15.9514 15.9514 k = 0.4453 0.0947 0.6124 ( 3803 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6472 -17.6472 -2.5200 -2.5200 -0.6420 -0.6420 -0.4226 -0.4226 0.2511 0.2511 2.6031 2.6031 3.5348 3.5348 3.9493 3.9493 4.5827 4.5827 5.5957 5.5957 6.1944 6.1944 7.0986 7.0986 7.2902 7.2902 7.2983 7.2983 8.2260 8.2260 8.3335 8.3335 8.7397 8.7397 8.9720 8.9720 9.0525 9.0525 9.3447 9.3447 9.6306 9.6306 11.4951 11.4951 13.0488 13.0488 13.9426 13.9426 15.4061 15.4061 15.9205 15.9205 k = 0.4375 0.1083 0.6124 ( 3804 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6472 -17.6472 -2.5240 -2.5240 -0.6564 -0.6564 -0.4295 -0.4295 0.3131 0.3131 2.5005 2.5005 3.5273 3.5273 4.0424 4.0424 4.6430 4.6430 5.5210 5.5210 6.1251 6.1251 7.1188 7.1188 7.3271 7.3271 7.3573 7.3573 8.1958 8.1958 8.2793 8.2793 8.7129 8.7129 8.9956 8.9956 9.0419 9.0419 9.3720 9.3720 9.6655 9.6655 11.4048 11.4048 13.1640 13.1640 13.9950 13.9950 15.2916 15.2916 15.8865 15.8865 k = 0.4297 0.1218 0.6124 ( 3812 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6491 -17.6491 -17.6472 -17.6472 -2.5278 -2.5278 -0.6691 -0.6691 -0.4369 -0.4369 0.3763 0.3763 2.4022 2.4022 3.5201 3.5201 4.1364 4.1364 4.7040 4.7040 5.4413 5.4413 6.0566 6.0566 7.1323 7.1323 7.3698 7.3698 7.4187 7.4187 8.1668 8.1668 8.2236 8.2236 8.6862 8.6862 9.0097 9.0097 9.0373 9.0373 9.3974 9.3974 9.7013 9.7013 11.3201 11.3201 13.2782 13.2782 14.0506 14.0506 15.1747 15.1747 15.8503 15.8503 k = 0.4219 0.1353 0.6124 ( 3816 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6491 -17.6491 -17.6472 -17.6472 -2.5313 -2.5313 -0.6801 -0.6801 -0.4441 -0.4441 0.4389 0.4389 2.3098 2.3098 3.5136 3.5136 4.2311 4.2311 4.7646 4.7646 5.3576 5.3576 5.9899 5.9899 7.1407 7.1407 7.4199 7.4199 7.4778 7.4778 8.1390 8.1390 8.1666 8.1666 8.6604 8.6604 9.0090 9.0090 9.0443 9.0443 9.4204 9.4204 9.7371 9.7371 11.2420 11.2420 13.3909 13.3909 14.1072 14.1072 15.0572 15.0572 15.8131 15.8131 k = 0.4141 0.1488 0.6124 ( 3816 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6491 -17.6491 -17.6472 -17.6472 -2.5344 -2.5344 -0.6895 -0.6895 -0.4507 -0.4507 0.4989 0.4989 2.2250 2.2250 3.5079 3.5079 4.3264 4.3264 4.8232 4.8232 5.2706 5.2706 5.9263 5.9263 7.1455 7.1455 7.4752 7.4752 7.5334 7.5334 8.1060 8.1060 8.1151 8.1151 8.6361 8.6361 9.0024 9.0024 9.0550 9.0550 9.4405 9.4405 9.7716 9.7716 11.1716 11.1716 13.5012 13.5012 14.1624 14.1624 14.9413 14.9413 15.7762 15.7762 k = 0.4062 0.1624 0.6124 ( 3819 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6492 -17.6492 -17.6472 -17.6472 -2.5371 -2.5371 -0.6972 -0.6972 -0.4564 -0.4564 0.5539 0.5539 2.1498 2.1498 3.5031 3.5031 4.4222 4.4222 4.8779 4.8779 5.1811 5.1811 5.8677 5.8677 7.1483 7.1483 7.5338 7.5338 7.5840 7.5840 8.0480 8.0480 8.0893 8.0893 8.6143 8.6143 8.9956 8.9956 9.0640 9.0640 9.4574 9.4574 9.8034 9.8034 11.1104 11.1104 13.6078 13.6078 14.2131 14.2131 14.8296 14.8296 15.7413 15.7413 k = 0.3984 0.1759 0.6124 ( 3817 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6492 -17.6492 -17.6472 -17.6472 -2.5392 -2.5392 -0.7032 -0.7032 -0.4611 -0.4611 0.6013 0.6013 2.0869 2.0869 3.4993 3.4993 4.5182 4.5182 4.9261 4.9261 5.0895 5.0895 5.8165 5.8165 7.1498 7.1498 7.5939 7.5939 7.6281 7.6281 7.9881 7.9881 8.0672 8.0672 8.5960 8.5960 8.9899 8.9899 9.0709 9.0709 9.4708 9.4708 9.8309 9.8309 11.0600 11.0600 13.7075 13.7075 14.2557 14.2557 14.7267 14.7267 15.7105 15.7105 k = 0.3906 0.1894 0.6124 ( 3819 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6492 -17.6492 -17.6471 -17.6471 -2.5407 -2.5407 -0.7075 -0.7075 -0.4645 -0.4645 0.6382 0.6382 2.0390 2.0390 3.4965 3.4965 4.6143 4.6143 4.9647 4.9647 4.9964 4.9964 5.7759 5.7759 7.1505 7.1505 7.6527 7.6527 7.6645 7.6645 7.9286 7.9286 8.0490 8.0490 8.5820 8.5820 8.9857 8.9857 9.0756 9.0756 9.4805 9.4805 9.8524 9.8524 11.0223 11.0223 13.7946 13.7946 14.2863 14.2863 14.6396 14.6396 15.6861 15.6861 k = 0.3828 0.2030 0.6124 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6492 -17.6492 -17.6471 -17.6471 -2.5417 -2.5417 -0.7100 -0.7100 -0.4665 -0.4665 0.6617 0.6617 2.0089 2.0089 3.4949 3.4949 4.7102 4.7102 4.9021 4.9021 4.9902 4.9902 5.7493 5.7493 7.1509 7.1509 7.6844 7.6844 7.7119 7.7119 7.8728 7.8728 8.0365 8.0365 8.5732 8.5732 8.9831 8.9831 9.0784 9.0784 9.4864 9.4864 9.8660 9.8660 10.9988 10.9988 13.8581 13.8581 14.3025 14.3025 14.5796 14.5796 15.6704 15.6704 k = 0.3750 0.2165 0.6124 ( 3811 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6492 -17.6492 -17.6471 -17.6471 -2.5420 -2.5420 -0.7109 -0.7109 -0.4672 -0.4672 0.6699 0.6699 1.9986 1.9986 3.4943 3.4943 4.7974 4.7974 4.8154 4.8154 4.9990 4.9990 5.7400 5.7400 7.1510 7.1510 7.6927 7.6927 7.7432 7.7432 7.8415 7.8415 8.0320 8.0320 8.5703 8.5703 8.9822 8.9822 9.0793 9.0793 9.4884 9.4884 9.8707 9.8707 10.9908 10.9908 13.8822 13.8822 14.3067 14.3067 14.5580 14.5580 15.6650 15.6650 k = 0.3750 0.2165 0.6124 ( 3811 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6492 -17.6492 -17.6471 -17.6471 -2.5420 -2.5420 -0.7109 -0.7109 -0.4672 -0.4672 0.6699 0.6699 1.9986 1.9986 3.4943 3.4943 4.7974 4.7974 4.8154 4.8154 4.9990 4.9990 5.7400 5.7400 7.1510 7.1510 7.6927 7.6927 7.7432 7.7432 7.8415 7.8415 8.0320 8.0320 8.5703 8.5703 8.9822 8.9822 9.0793 9.0793 9.4884 9.4884 9.8707 9.8707 10.9908 10.9908 13.8822 13.8822 14.3067 14.3067 14.5580 14.5580 15.6650 15.6650 k = 0.3668 0.2118 0.5991 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6491 -17.6491 -17.6470 -17.6470 -2.5452 -2.5452 -0.6819 -0.6819 -0.5218 -0.5218 0.6849 0.6849 2.0436 2.0436 3.6321 3.6321 4.7127 4.7127 4.7346 4.7346 4.9526 4.9526 5.6583 5.6583 7.1104 7.1104 7.7651 7.7651 7.8065 7.8065 7.8864 7.8864 7.9931 7.9931 8.5417 8.5417 8.9738 8.9738 9.0561 9.0561 9.4961 9.4961 9.9638 9.9638 11.0999 11.0999 13.7713 13.7713 14.2667 14.2667 14.5686 14.5686 15.6513 15.6513 k = 0.3587 0.2071 0.5857 ( 3799 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6490 -17.6490 -17.6470 -17.6470 -2.5508 -2.5508 -0.6525 -0.6525 -0.5688 -0.5688 0.7009 0.7009 2.0897 2.0897 3.7714 3.7714 4.6288 4.6288 4.6545 4.6545 4.9069 4.9069 5.5786 5.5786 7.0687 7.0687 7.8379 7.8379 7.8691 7.8691 7.9253 7.9253 7.9361 7.9361 8.5149 8.5149 8.9658 8.9658 9.0435 9.0435 9.5008 9.5008 10.0612 10.0612 11.2126 11.2126 13.6676 13.6676 14.2191 14.2191 14.5882 14.5882 15.6384 15.6384 k = 0.3505 0.2024 0.5724 ( 3803 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6470 -17.6470 -2.5593 -2.5593 -0.6346 -0.6346 -0.5962 -0.5962 0.7177 0.7177 2.1369 2.1369 3.9115 3.9115 4.5456 4.5456 4.5753 4.5753 4.8619 4.8619 5.5014 5.5014 7.0261 7.0261 7.8602 7.8602 7.9123 7.9123 7.9309 7.9309 7.9625 7.9625 8.4814 8.4814 8.9585 8.9585 9.0444 9.0444 9.5016 9.5016 10.1628 10.1628 11.3286 11.3286 13.5719 13.5719 14.1685 14.1685 14.6127 14.6127 15.6263 15.6263 k = 0.3424 0.1977 0.5591 ( 3815 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6470 -17.6470 -2.5710 -2.5710 -0.6573 -0.6573 -0.5743 -0.5743 0.7355 0.7355 2.1852 2.1852 4.0513 4.0513 4.4635 4.4635 4.4971 4.4971 4.8180 4.8180 5.4276 5.4276 6.9826 6.9826 7.7789 7.7789 7.9842 7.9842 7.9890 7.9890 7.9959 7.9959 8.4365 8.4365 8.9516 8.9516 9.0601 9.0601 9.4979 9.4979 10.2680 10.2680 11.4479 11.4479 13.4851 13.4851 14.1171 14.1171 14.6402 14.6402 15.6151 15.6151 k = 0.3342 0.1930 0.5458 ( 3821 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6490 -17.6490 -17.6470 -17.6470 -2.5860 -2.5860 -0.6843 -0.6843 -0.5392 -0.5392 0.7541 0.7541 2.2345 2.2345 4.1894 4.1894 4.3825 4.3825 4.4201 4.4201 4.7751 4.7751 5.3584 5.3584 6.9385 6.9385 7.6912 7.6912 8.0136 8.0136 8.0502 8.0502 8.0620 8.0620 8.3793 8.3793 8.9454 8.9454 9.0889 9.0889 9.4890 9.4890 10.3767 10.3767 11.5703 11.5703 13.4082 13.4082 14.0663 14.0663 14.6696 14.6696 15.6050 15.6050 k = 0.3261 0.1883 0.5325 ( 3817 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6469 -17.6469 -2.6045 -2.6045 -0.7053 -0.7053 -0.5010 -0.5010 0.7736 0.7736 2.2847 2.2847 4.3027 4.3027 4.3230 4.3230 4.3444 4.3444 4.7334 4.7334 5.2962 5.2962 6.8937 6.8937 7.5999 7.5999 8.0285 8.0285 8.1107 8.1107 8.1349 8.1349 8.3113 8.3113 8.9408 8.9408 9.1281 9.1281 9.4742 9.4742 10.4884 10.4884 11.6958 11.6958 13.3418 13.3418 14.0169 14.0169 14.7005 14.7005 15.5961 15.5961 k = 0.3179 0.1836 0.5192 ( 3809 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6489 -17.6489 -17.6468 -17.6468 -2.6265 -2.6265 -0.7193 -0.7193 -0.4606 -0.4606 0.7939 0.7939 2.3359 2.3359 4.2243 4.2243 4.2697 4.2697 4.4477 4.4477 4.6934 4.6934 5.2452 5.2452 6.8483 6.8483 7.5064 7.5064 8.0347 8.0347 8.1697 8.1697 8.2080 8.2080 8.2355 8.2355 8.9386 8.9386 9.1744 9.1744 9.4531 9.4531 10.6029 10.6029 11.8242 11.8242 13.2865 13.2865 13.9694 13.9694 14.7324 14.7324 15.5886 15.5886 k = 0.3098 0.1789 0.5059 ( 3791 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6488 -17.6488 -17.6466 -17.6466 -2.6521 -2.6521 -0.7260 -0.7260 -0.4183 -0.4183 0.8151 0.8151 2.3877 2.3877 4.1473 4.1473 4.1966 4.1966 4.5541 4.5541 4.6561 4.6561 5.2134 5.2134 6.8023 6.8023 7.4115 7.4115 8.0315 8.0315 8.1497 8.1497 8.2311 8.2311 8.2815 8.2815 8.9401 8.9401 9.2256 9.2256 9.4253 9.4253 10.7197 10.7197 11.9553 11.9553 13.2429 13.2429 13.9243 13.9243 14.7652 14.7652 15.5826 15.5826 k = 0.3016 0.1741 0.4926 ( 3799 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6488 -17.6488 -17.6466 -17.6466 -2.6810 -2.6810 -0.7256 -0.7256 -0.3742 -0.3742 0.8370 0.8370 2.4400 2.4400 4.0719 4.0719 4.1250 4.1250 4.6038 4.6038 4.6470 4.6470 5.2136 5.2136 6.7556 6.7556 7.3160 7.3160 8.0181 8.0181 8.0627 8.0627 8.2897 8.2897 8.3539 8.3539 8.9459 8.9459 9.2796 9.2796 9.3910 9.3910 10.8387 10.8387 12.0888 12.0888 13.2111 13.2111 13.8817 13.8817 14.7987 14.7987 15.5781 15.5781 k = 0.2935 0.1694 0.4792 ( 3809 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6488 -17.6488 -17.6465 -17.6465 -2.7131 -2.7131 -0.7181 -0.7181 -0.3283 -0.3283 0.8597 0.8597 2.4926 2.4926 3.9980 3.9980 4.0548 4.0548 4.5745 4.5745 4.6763 4.6763 5.2575 5.2575 6.7082 6.7082 7.2200 7.2200 7.9693 7.9693 7.9978 7.9978 8.3486 8.3486 8.4254 8.4254 8.9565 8.9565 9.3314 9.3314 9.3543 9.3543 10.9594 10.9594 12.2247 12.2247 13.1914 13.1914 13.8420 13.8420 14.8328 14.8328 15.5754 15.5754 k = 0.2853 0.1647 0.4659 ( 3805 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6487 -17.6487 -17.6464 -17.6464 -2.7481 -2.7481 -0.7038 -0.7038 -0.2806 -0.2806 0.8831 0.8831 2.5453 2.5453 3.9257 3.9257 3.9862 3.9862 4.5403 4.5403 4.6724 4.6724 5.3426 5.3426 6.6600 6.6600 7.1239 7.1239 7.8777 7.8777 7.9647 7.9647 8.4075 8.4075 8.4954 8.4954 8.9721 8.9721 9.3004 9.3004 9.3953 9.3953 11.0815 11.0815 12.3625 12.3625 13.1834 13.1834 13.8055 13.8055 14.8674 14.8674 15.5745 15.5745 k = 0.2772 0.1600 0.4526 ( 3805 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6487 -17.6487 -17.6463 -17.6463 -2.7855 -2.7855 -0.6831 -0.6831 -0.2312 -0.2312 0.9072 0.9072 2.5978 2.5978 3.8552 3.8552 3.9192 3.9192 4.5069 4.5069 4.6435 4.6435 5.4543 5.4543 6.6107 6.6107 7.0276 7.0276 7.7857 7.7857 7.9237 7.9237 8.4665 8.4665 8.5628 8.5628 8.9924 8.9924 9.2486 9.2486 9.4525 9.4525 11.2048 11.2048 12.5022 12.5022 13.1869 13.1869 13.7724 13.7724 14.9022 14.9022 15.5754 15.5754 k = 0.2690 0.1553 0.4393 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6486 -17.6486 -17.6462 -17.6462 -2.8250 -2.8250 -0.6562 -0.6562 -0.1801 -0.1801 0.9320 0.9320 2.6498 2.6498 3.7865 3.7865 3.8538 3.8538 4.4748 4.4748 4.6014 4.6014 5.5794 5.5794 6.5602 6.5602 6.9311 6.9311 7.6958 7.6958 7.8752 7.8752 8.5256 8.5256 8.6260 8.6260 9.0171 9.0171 9.1938 9.1938 9.5099 9.5099 11.3290 11.3290 12.6432 12.6432 13.2013 13.2013 13.7429 13.7429 14.9372 14.9372 15.5783 15.5783 k = 0.2609 0.1506 0.4260 ( 3791 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6484 -17.6484 -17.6461 -17.6461 -2.8663 -2.8663 -0.6236 -0.6236 -0.1274 -0.1274 0.9573 0.9573 2.7010 2.7010 3.7196 3.7196 3.7901 3.7901 4.4441 4.4441 4.5532 4.5532 5.7096 5.7096 6.5081 6.5081 6.8347 6.8347 7.6102 7.6102 7.8204 7.8204 8.5847 8.5847 8.6811 8.6811 9.0455 9.0455 9.1405 9.1405 9.5668 9.5668 11.4538 11.4538 12.7854 12.7854 13.2260 13.2260 13.7174 13.7174 14.9723 14.9723 15.5832 15.5832 k = 0.2527 0.1459 0.4127 ( 3787 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6483 -17.6483 -17.6459 -17.6459 -2.9090 -2.9090 -0.5855 -0.5855 -0.0730 -0.0730 0.9832 0.9832 2.7509 2.7509 3.6545 3.6545 3.7281 3.7281 4.4149 4.4149 4.5026 4.5026 5.8387 5.8387 6.4543 6.4543 6.7388 6.7388 7.5314 7.5314 7.7606 7.7606 8.6438 8.6438 8.7204 8.7204 9.0768 9.0768 9.0975 9.0975 9.6226 9.6226 11.5788 11.5788 12.9281 12.9281 13.2602 13.2602 13.6961 13.6961 15.0073 15.0073 15.5901 15.5901 k = 0.2446 0.1412 0.3994 ( 3793 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6483 -17.6483 -17.6459 -17.6459 -2.9527 -2.9527 -0.5425 -0.5425 -0.0171 -0.0171 1.0097 1.0097 2.7993 2.7993 3.5913 3.5913 3.6679 3.6679 4.3873 4.3873 4.4519 4.4519 5.9606 5.9606 6.3984 6.3984 6.6453 6.6453 7.4626 7.4626 7.6970 7.6970 8.7013 8.7013 8.7322 8.7322 9.0769 9.0769 9.1123 9.1123 9.6772 9.6772 11.7039 11.7039 13.0708 13.0708 13.3029 13.3029 13.6795 13.6795 15.0421 15.0421 15.5989 15.5989 k = 0.2364 0.1365 0.3861 ( 3787 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6481 -17.6481 -17.6457 -17.6457 -2.9970 -2.9970 -0.4948 -0.4948 0.0403 0.0403 1.0366 1.0366 2.8456 2.8456 3.5301 3.5301 3.6094 3.6094 4.3613 4.3613 4.4022 4.4022 6.0657 6.0657 6.3400 6.3400 6.5591 6.5591 7.4077 7.4077 7.6310 7.6310 8.7000 8.7000 8.7651 8.7651 9.0905 9.0905 9.1490 9.1490 9.7301 9.7301 11.8287 11.8287 13.2120 13.2120 13.3538 13.3538 13.6682 13.6682 15.0767 15.0767 15.6094 15.6094 k = 0.2283 0.1318 0.3727 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6480 -17.6480 -17.6456 -17.6456 -3.0417 -3.0417 -0.4427 -0.4427 0.0992 0.0992 1.0639 1.0639 2.8894 2.8894 3.4709 3.4709 3.5527 3.5527 4.3369 4.3369 4.3545 4.3545 6.1343 6.1343 6.2792 6.2792 6.4946 6.4946 7.3717 7.3717 7.5640 7.5640 8.6426 8.6426 8.8238 8.8238 9.1302 9.1302 9.1878 9.1878 9.7812 9.7812 11.9529 11.9529 13.3469 13.3469 13.4152 13.4152 13.6636 13.6636 15.1108 15.1108 15.6215 15.6215 k = 0.2201 0.1271 0.3594 ( 3799 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6479 -17.6479 -17.6455 -17.6455 -3.0865 -3.0865 -0.3865 -0.3865 0.1595 0.1595 1.0915 1.0915 2.9301 2.9301 3.4138 3.4138 3.4978 3.4978 4.3094 4.3094 4.3143 4.3143 6.1350 6.1350 6.2169 6.2169 6.4756 6.4756 7.3598 7.3598 7.4976 7.4976 8.5667 8.5667 8.8833 8.8833 9.1838 9.1838 9.2285 9.2285 9.8301 9.8301 12.0764 12.0764 13.4482 13.4482 13.5089 13.5089 13.6696 13.6696 15.1445 15.1445 15.6348 15.6348 k = 0.2120 0.1224 0.3461 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6478 -17.6478 -17.6454 -17.6454 -3.1310 -3.1310 -0.3265 -0.3265 0.2211 0.2211 1.1194 1.1194 2.9673 2.9673 3.3587 3.3587 3.4448 3.4448 4.2676 4.2676 4.2931 4.2931 6.0698 6.0698 6.1520 6.1520 6.4962 6.4962 7.3735 7.3735 7.4367 7.4367 8.4808 8.4808 8.9428 8.9428 9.2427 9.2427 9.2722 9.2722 9.8767 9.8767 12.1987 12.1987 13.5145 13.5145 13.6146 13.6146 13.7066 13.7066 15.1777 15.1777 15.6487 15.6487 k = 0.2038 0.1177 0.3328 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6476 -17.6476 -17.6453 -17.6453 -3.1752 -3.1752 -0.2629 -0.2629 0.2841 0.2841 1.1474 1.1474 3.0005 3.0005 3.3057 3.3057 3.3937 3.3937 4.2294 4.2294 4.2736 4.2736 5.9728 5.9728 6.0821 6.0821 6.5219 6.5219 7.3551 7.3551 7.4423 7.4423 8.3892 8.3892 9.0023 9.0023 9.2979 9.2979 9.3240 9.3240 9.9208 9.9208 12.3197 12.3197 13.5682 13.5682 13.6712 13.6712 13.8113 13.8113 15.2102 15.2102 15.6623 15.6623 k = 0.1957 0.1130 0.3195 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3748 -25.3748 -17.6474 -17.6474 -17.6452 -17.6452 -3.2187 -3.2187 -0.1960 -0.1960 0.3482 0.3482 1.1756 1.1756 3.0291 3.0291 3.2549 3.2549 3.3444 3.3444 4.1950 4.1950 4.2558 4.2558 5.8619 5.8619 6.0079 6.0079 6.5370 6.5370 7.2965 7.2965 7.5204 7.5204 8.2942 8.2942 9.0616 9.0616 9.3447 9.3447 9.3865 9.3865 9.9622 9.9622 12.4391 12.4391 13.6067 13.6067 13.7233 13.7233 13.9400 13.9400 15.2419 15.2419 15.6746 15.6746 k = 0.1875 0.1083 0.3062 ( 3803 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6473 -17.6473 -17.6452 -17.6452 -3.2614 -3.2614 -0.1260 -0.1260 0.4134 0.4134 1.2038 1.2038 3.0529 3.0529 3.2063 3.2063 3.2971 3.2971 4.1647 4.1647 4.2395 4.2395 5.7437 5.7437 5.9298 5.9298 6.5407 6.5407 7.2379 7.2379 7.6255 7.6255 8.1974 8.1974 9.1207 9.1207 9.3883 9.3883 9.4533 9.4533 10.0009 10.0009 12.5566 12.5566 13.6345 13.6345 13.7874 13.7874 14.0696 14.0696 15.2728 15.2728 15.6843 15.6843 k = 0.1793 0.1035 0.2929 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3748 -25.3748 -17.6471 -17.6471 -17.6451 -17.6451 -3.3031 -3.3031 -0.0531 -0.0531 0.4797 0.4797 1.2320 1.2320 3.0715 3.0715 3.1599 3.1599 3.2516 3.2516 4.1386 4.1386 4.2249 4.2249 5.6211 5.6211 5.8482 5.8482 6.5368 6.5368 7.1820 7.1820 7.7480 7.7480 8.0997 8.0997 9.1794 9.1794 9.4311 9.4311 9.5213 9.5213 10.0367 10.0367 12.6720 12.6720 13.6596 13.6596 13.8577 13.8577 14.1957 14.1957 15.3028 15.3028 15.6906 15.6906 k = 0.1712 0.0988 0.2796 ( 3791 PWs) bands (ev): -51.0844 -51.0844 -25.3748 -25.3748 -17.6469 -17.6469 -17.6450 -17.6450 -3.3437 -3.3437 0.0225 0.0225 0.5467 0.5467 1.2599 1.2599 3.0848 3.0848 3.1159 3.1159 3.2081 3.2081 4.1165 4.1165 4.2119 4.2119 5.4959 5.4959 5.7632 5.7632 6.5291 6.5291 7.1298 7.1298 7.8814 7.8814 8.0029 8.0029 9.2375 9.2375 9.4732 9.4732 9.5895 9.5895 10.0697 10.0697 12.7850 12.7850 13.6859 13.6859 13.9298 13.9298 14.3159 14.3159 15.3315 15.3315 15.6928 15.6928 k = 0.1630 0.0941 0.2662 ( 3781 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6466 -17.6466 -17.6449 -17.6449 -3.3830 -3.3830 0.1007 0.1007 0.6146 0.6146 1.2876 1.2876 3.0735 3.0735 3.0936 3.0936 3.1666 3.1666 4.0982 4.0982 4.2003 4.2003 5.3693 5.3693 5.6750 5.6750 6.5205 6.5205 7.0813 7.0813 7.9025 7.9025 8.0264 8.0264 9.2950 9.2950 9.5148 9.5148 9.6574 9.6574 10.0998 10.0998 12.8954 12.8954 13.7148 13.7148 14.0014 14.0014 14.4284 14.4284 15.3588 15.3588 15.6912 15.6912 k = 0.1549 0.0894 0.2529 ( 3789 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6465 -17.6465 -17.6448 -17.6448 -3.4210 -3.4210 0.1813 0.1813 0.6830 0.6830 1.3150 1.3150 3.0343 3.0343 3.0966 3.0966 3.1270 3.1270 4.0831 4.0831 4.1903 4.1903 5.2422 5.2422 5.5841 5.5841 6.5128 6.5128 7.0368 7.0368 7.8074 7.8074 8.1721 8.1721 9.3516 9.3516 9.5557 9.5557 9.7248 9.7248 10.1271 10.1271 13.0029 13.0029 13.7467 13.7467 14.0707 14.0707 14.5314 14.5314 15.3837 15.3837 15.6865 15.6865 k = 0.1467 0.0847 0.2396 ( 3789 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6463 -17.6463 -17.6447 -17.6447 -3.4575 -3.4575 0.2640 0.2640 0.7517 0.7517 1.3418 1.3418 2.9974 2.9974 3.0893 3.0893 3.0951 3.0951 4.0705 4.0705 4.1817 4.1817 5.1155 5.1155 5.4910 5.4910 6.5072 6.5072 6.9961 6.9961 7.7133 7.7133 8.3211 8.3211 9.4073 9.4073 9.5957 9.5957 9.7912 9.7912 10.1518 10.1518 13.1075 13.1075 13.7816 13.7816 14.1361 14.1361 14.6233 14.6233 15.4051 15.4051 15.6794 15.6794 k = 0.1386 0.0800 0.2263 ( 3789 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6461 -17.6461 -17.6446 -17.6446 -3.4923 -3.4923 0.3487 0.3487 0.8207 0.8207 1.3682 1.3682 2.9628 2.9628 3.0537 3.0537 3.0896 3.0896 4.0594 4.0594 4.1744 4.1744 4.9903 4.9903 5.3961 5.3961 6.5042 6.5042 6.9592 6.9592 7.6212 7.6212 8.4714 8.4714 9.4617 9.4617 9.6347 9.6347 9.8566 9.8566 10.1740 10.1740 13.2089 13.2089 13.8193 13.8193 14.1961 14.1961 14.7031 14.7031 15.4214 15.4214 15.6710 15.6710 k = 0.1304 0.0753 0.2130 ( 3785 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6459 -17.6459 -17.6446 -17.6446 -3.5256 -3.5256 0.4352 0.4352 0.8895 0.8895 1.3938 1.3938 2.9308 2.9308 3.0200 3.0200 3.0805 3.0805 4.0487 4.0487 4.1684 4.1684 4.8676 4.8676 5.3000 5.3000 6.5038 6.5038 6.9259 6.9259 7.5319 7.5319 8.6215 8.6215 9.5149 9.5149 9.6725 9.6725 9.9206 9.9206 10.1940 10.1940 13.3069 13.3069 13.8593 13.8593 14.2494 14.2494 14.7704 14.7704 15.4312 15.4312 15.6605 15.6605 k = 0.1223 0.0706 0.1997 ( 3789 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6457 -17.6457 -17.6445 -17.6445 -3.5572 -3.5572 0.5233 0.5233 0.9580 0.9580 1.4186 1.4186 2.9014 2.9014 2.9884 2.9884 3.0683 3.0683 4.0367 4.0367 4.1638 4.1638 4.7491 4.7491 5.2034 5.2034 6.5060 6.5060 6.8962 6.8962 7.4457 7.4457 8.7702 8.7702 9.5665 9.5665 9.7090 9.7090 9.9829 9.9829 10.2120 10.2120 13.4015 13.4015 13.9012 13.9012 14.2948 14.2948 14.8254 14.8254 15.4340 15.4340 15.6376 15.6376 k = 0.1141 0.0659 0.1864 ( 3797 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6456 -17.6456 -17.6445 -17.6445 -3.5870 -3.5870 0.6127 0.6127 1.0258 1.0258 1.4425 1.4425 2.8747 2.8747 2.9587 2.9587 3.0538 3.0538 4.0213 4.0213 4.1604 4.1604 4.6366 4.6366 5.1069 5.1069 6.5104 6.5104 6.8699 6.8699 7.3632 7.3632 8.9166 8.9166 9.6163 9.6163 9.7440 9.7440 10.0434 10.0434 10.2284 10.2284 13.4926 13.4926 13.9442 13.9442 14.3312 14.3312 14.8694 14.8694 15.4304 15.4304 15.5814 15.5814 k = 0.1060 0.0612 0.1731 ( 3801 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6454 -17.6454 -17.6444 -17.6444 -3.6149 -3.6149 0.7032 0.7032 1.0926 1.0926 1.4653 1.4653 2.8506 2.8506 2.9311 2.9311 3.0372 3.0372 3.9997 3.9997 4.1584 4.1584 4.5331 4.5331 5.0112 5.0112 6.5163 6.5163 6.8470 6.8470 7.2849 7.2849 9.0595 9.0595 9.6641 9.6641 9.7773 9.7773 10.1017 10.1017 10.2437 10.2437 13.5800 13.5800 13.9878 13.9878 14.3581 14.3581 14.9040 14.9040 15.4198 15.4198 15.5018 15.5018 k = 0.0978 0.0565 0.1597 ( 3801 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6453 -17.6453 -17.6444 -17.6444 -3.6410 -3.6410 0.7944 0.7944 1.1579 1.1579 1.4871 1.4871 2.8293 2.8293 2.9054 2.9054 3.0190 3.0190 3.9683 3.9683 4.1577 4.1577 4.4423 4.4423 4.9168 4.9168 6.5231 6.5231 6.8275 6.8275 7.2112 7.2112 9.1977 9.1977 9.7096 9.7096 9.8088 9.8088 10.1575 10.1575 10.2585 10.2585 13.6637 13.6637 14.0312 14.0312 14.3754 14.3754 14.9307 14.9307 15.3889 15.3889 15.4311 15.4311 k = 0.0897 0.0518 0.1464 ( 3787 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6450 -17.6450 -17.6443 -17.6443 -3.6651 -3.6651 0.8860 0.8860 1.2212 1.2212 1.5076 1.5076 2.8109 2.8109 2.8819 2.8819 2.9994 2.9994 3.9238 3.9238 4.1582 4.1582 4.3678 4.3678 4.8246 4.8246 6.5298 6.5298 6.8115 6.8115 7.1427 7.1427 9.3297 9.3297 9.7527 9.7527 9.8384 9.8384 10.2106 10.2106 10.2734 10.2734 13.7438 13.7438 14.0736 14.0736 14.3838 14.3838 14.9510 14.9510 15.3159 15.3159 15.3969 15.3969 k = 0.0815 0.0471 0.1331 ( 3781 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6448 -17.6448 -17.6442 -17.6442 -3.6872 -3.6872 0.9774 0.9774 1.2821 1.2821 1.5268 1.5268 2.7953 2.7953 2.8603 2.8603 2.9785 2.9785 3.8650 3.8650 4.1599 4.1599 4.3116 4.3116 4.7354 4.7354 6.5355 6.5355 6.7991 6.7991 7.0799 7.0799 9.4539 9.4539 9.7931 9.7931 9.8660 9.8660 10.2604 10.2604 10.2893 10.2893 13.8201 13.8201 14.1140 14.1140 14.3844 14.3844 14.9658 14.9658 15.2367 15.2367 15.3641 15.3641 k = 0.0734 0.0424 0.1198 ( 3787 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6447 -17.6447 -17.6442 -17.6442 -3.7073 -3.7073 1.0680 1.0680 1.3399 1.3399 1.5446 1.5446 2.7825 2.7825 2.8408 2.8408 2.9565 2.9565 3.7946 3.7946 4.1624 4.1624 4.2718 4.2718 4.6499 4.6499 6.5391 6.5391 6.7904 6.7904 7.0233 7.0233 9.5685 9.5685 9.8304 9.8304 9.8913 9.8913 10.3039 10.3039 10.3101 10.3101 13.8925 13.8925 14.1516 14.1516 14.3789 14.3789 14.9758 14.9758 15.1620 15.1620 15.3225 15.3225 k = 0.0652 0.0377 0.1065 ( 3787 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6445 -17.6445 -17.6442 -17.6442 -3.7254 -3.7254 1.1571 1.1571 1.3940 1.3940 1.5609 1.5609 2.7725 2.7725 2.8233 2.8233 2.9332 2.9332 3.7176 3.7176 4.1657 4.1657 4.2446 4.2446 4.5690 4.5690 6.5400 6.5400 6.7854 6.7854 6.9732 6.9732 9.6713 9.6713 9.8646 9.8646 9.9145 9.9145 10.3270 10.3270 10.3507 10.3507 13.9611 13.9611 14.1855 14.1855 14.3687 14.3687 14.9808 14.9808 15.0940 15.0940 15.2722 15.2722 k = 0.0571 0.0329 0.0932 ( 3787 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6444 -17.6444 -17.6442 -17.6442 -3.7415 -3.7415 1.2436 1.2436 1.4437 1.4437 1.5758 1.5758 2.7651 2.7651 2.8079 2.8079 2.9085 2.9085 3.6395 3.6395 4.1693 4.1693 4.2259 4.2259 4.4937 4.4937 6.5379 6.5379 6.7838 6.7838 6.9300 6.9300 9.7603 9.7603 9.8953 9.8953 9.9353 9.9353 10.3518 10.3518 10.3893 10.3893 14.0254 14.0254 14.2150 14.2150 14.3558 14.3558 14.9793 14.9793 15.0351 15.0351 15.2159 15.2159 k = 0.0489 0.0282 0.0799 ( 3789 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6443 -17.6443 -17.6441 -17.6441 -3.7554 -3.7554 1.3261 1.3261 1.4884 1.4884 1.5892 1.5892 2.7601 2.7601 2.7946 2.7946 2.8823 2.8823 3.5650 3.5650 4.1731 4.1731 4.2129 4.2129 4.4251 4.4251 6.5329 6.5329 6.7851 6.7851 6.8938 6.8938 9.8340 9.8340 9.9222 9.9222 9.9539 9.9539 10.3806 10.3806 10.4237 10.4237 14.0852 14.0852 14.2393 14.2393 14.3415 14.3415 14.9609 14.9609 14.9965 14.9965 15.1572 15.1572 k = 0.0408 0.0235 0.0666 ( 3789 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6442 -17.6442 -17.6441 -17.6441 -3.7672 -3.7672 1.4027 1.4027 1.5274 1.5274 1.6012 1.6012 2.7572 2.7572 2.7833 2.7833 2.8549 2.8549 3.4976 3.4976 4.1768 4.1768 4.2036 4.2036 4.3642 4.3642 6.5258 6.5258 6.7882 6.7882 6.8643 6.8643 9.8918 9.8918 9.9451 9.9451 9.9702 9.9702 10.4127 10.4127 10.4534 10.4534 14.1398 14.1398 14.2580 14.2580 14.3273 14.3273 14.9219 14.9219 14.9824 14.9824 15.1001 15.1001 k = 0.0326 0.0188 0.0532 ( 3789 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6442 -17.6442 -17.6441 -17.6441 -3.7769 -3.7769 1.4707 1.4707 1.5606 1.5606 1.6121 1.6121 2.7558 2.7558 2.7741 2.7741 2.8272 2.8272 3.4401 3.4401 4.1802 4.1802 4.1970 4.1970 4.3123 4.3123 6.5178 6.5178 6.7923 6.7923 6.8412 6.8412 9.9344 9.9344 9.9637 9.9637 9.9844 9.9844 10.4458 10.4458 10.4782 10.4782 14.1882 14.1882 14.2714 14.2714 14.3142 14.3142 14.8847 14.8847 14.9718 14.9718 15.0482 15.0482 k = 0.0245 0.0141 0.0399 ( 3793 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6441 -17.6441 -17.6441 -17.6441 -3.7845 -3.7845 1.5261 1.5261 1.5882 1.5882 1.6220 1.6220 2.7554 2.7554 2.7670 2.7670 2.8009 2.8009 3.3942 3.3942 4.1830 4.1830 4.1924 4.1924 4.2704 4.2704 6.5100 6.5100 6.7964 6.7964 6.8240 6.8240 9.9637 9.9637 9.9778 9.9778 9.9967 9.9967 10.4765 10.4765 10.4977 10.4977 14.2291 14.2291 14.2800 14.2800 14.3031 14.3031 14.8543 14.8543 14.9613 14.9613 15.0046 15.0046 k = 0.0163 0.0094 0.0266 ( 3813 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6442 -17.6442 -17.6442 -17.6442 -3.7899 -3.7899 1.5635 1.5635 1.6124 1.6124 1.6306 1.6306 2.7552 2.7552 2.7619 2.7619 2.7790 2.7790 3.3612 3.3612 4.1851 4.1851 4.1893 4.1893 4.2396 4.2396 6.5036 6.5036 6.7999 6.7999 6.8122 6.8122 9.9820 9.9820 9.9875 9.9875 10.0067 10.0067 10.5014 10.5014 10.5118 10.5118 14.2607 14.2607 14.2849 14.2849 14.2947 14.2947 14.8321 14.8321 14.9522 14.9522 14.9715 14.9715 k = 0.0082 0.0047 0.0133 ( 3821 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6442 -17.6442 -17.6442 -17.6442 -3.7931 -3.7931 1.5819 1.5819 1.6316 1.6316 1.6369 1.6369 2.7547 2.7547 2.7576 2.7576 2.7659 2.7659 3.3413 3.3413 4.1865 4.1865 4.1875 4.1875 4.2207 4.2207 6.4993 6.4993 6.8022 6.8022 6.8053 6.8053 9.9918 9.9918 9.9930 9.9930 10.0133 10.0133 10.5176 10.5176 10.5204 10.5204 14.2807 14.2807 14.2871 14.2871 14.2895 14.2895 14.8185 14.8185 14.9459 14.9459 14.9508 14.9508 k = 0.0000 0.0000 0.0000 ( 3839 PWs) bands (ev): -51.0845 -51.0845 -25.3748 -25.3748 -17.6443 -17.6443 -17.6443 -17.6443 -3.7942 -3.7942 1.5870 1.5870 1.6392 1.6392 1.6392 1.6392 2.7544 2.7544 2.7544 2.7544 2.7631 2.7631 3.3347 3.3347 4.1869 4.1869 4.1869 4.1869 4.2144 4.2144 6.4979 6.4979 6.8030 6.8030 6.8030 6.8030 9.9948 9.9948 9.9949 9.9949 10.0156 10.0156 10.5232 10.5232 10.5232 10.5232 14.2875 14.2875 14.2875 14.2875 14.2880 14.2880 14.8139 14.8139 14.9437 14.9437 14.9438 14.9438 k = 0.0000 0.0000 0.0000 ( 3839 PWs) bands (ev): -51.0845 -51.0845 -25.3748 -25.3748 -17.6443 -17.6443 -17.6443 -17.6443 -3.7942 -3.7942 1.5870 1.5870 1.6392 1.6392 1.6392 1.6392 2.7544 2.7544 2.7544 2.7544 2.7631 2.7631 3.3347 3.3347 4.1869 4.1869 4.1869 4.1869 4.2144 4.2144 6.4979 6.4979 6.8030 6.8030 6.8030 6.8030 9.9948 9.9948 9.9949 9.9949 10.0156 10.0156 10.5232 10.5232 10.5232 10.5232 14.2875 14.2875 14.2875 14.2875 14.2880 14.2880 14.8139 14.8139 14.9437 14.9437 14.9438 14.9438 k = 0.0135 0.0078 0.0055 ( 3821 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6442 -17.6442 -17.6442 -17.6442 -3.7931 -3.7931 1.5816 1.5816 1.6312 1.6312 1.6371 1.6371 2.7561 2.7561 2.7571 2.7571 2.7653 2.7653 3.3416 3.3416 4.1867 4.1867 4.1873 4.1873 4.2209 4.2209 6.4994 6.4994 6.8020 6.8020 6.8056 6.8056 9.9922 9.9922 9.9925 9.9925 10.0132 10.0132 10.5188 10.5188 10.5189 10.5189 14.2841 14.2841 14.2856 14.2856 14.2874 14.2874 14.8186 14.8186 14.9460 14.9460 14.9511 14.9511 k = 0.0270 0.0156 0.0110 ( 3803 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6441 -17.6441 -17.6441 -17.6441 -3.7898 -3.7898 1.5609 1.5609 1.6130 1.6130 1.6309 1.6309 2.7596 2.7596 2.7649 2.7649 2.7720 2.7720 3.3622 3.3622 4.1861 4.1861 4.1883 4.1883 4.2404 4.2404 6.5036 6.5036 6.7991 6.7991 6.8133 6.8133 9.9839 9.9839 9.9852 9.9852 10.0059 10.0059 10.5060 10.5060 10.5065 10.5065 14.2740 14.2740 14.2789 14.2789 14.2864 14.2864 14.8326 14.8326 14.9523 14.9523 14.9726 14.9726 k = 0.0405 0.0234 0.0166 ( 3791 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6441 -17.6441 -17.6441 -17.6441 -3.7842 -3.7842 1.5170 1.5170 1.5953 1.5953 1.6208 1.6208 2.7620 2.7620 2.7776 2.7776 2.7837 2.7837 3.3969 3.3969 4.1853 4.1853 4.1901 4.1901 4.2722 4.2722 6.5098 6.5098 6.7954 6.7954 6.8260 6.8260 9.9693 9.9693 9.9719 9.9719 9.9937 9.9937 10.4861 10.4861 10.4873 10.4873 14.2578 14.2578 14.2674 14.2674 14.2848 14.2848 14.8551 14.8551 14.9622 14.9622 15.0067 15.0067 k = 0.0541 0.0312 0.0221 ( 3785 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6442 -17.6442 -17.6441 -17.6441 -3.7764 -3.7764 1.4526 1.4526 1.5789 1.5789 1.6072 1.6072 2.7604 2.7604 2.7948 2.7948 2.8002 2.8002 3.4454 3.4454 4.1844 4.1844 4.1928 4.1928 4.3157 4.3157 6.5162 6.5162 6.7924 6.7924 6.8438 6.8438 9.9470 9.9470 9.9507 9.9507 9.9773 9.9773 10.4611 10.4611 10.4633 10.4633 14.2360 14.2360 14.2508 14.2508 14.2826 14.2826 14.8840 14.8840 14.9755 14.9755 15.0510 15.0510 k = 0.0676 0.0390 0.0276 ( 3779 PWs) bands (ev): -51.0844 -51.0844 -25.3744 -25.3744 -17.6442 -17.6442 -17.6440 -17.6440 -3.7664 -3.7664 1.3741 1.3741 1.5616 1.5616 1.5903 1.5903 2.7537 2.7537 2.8160 2.8160 2.8209 2.8209 3.5064 3.5064 4.1837 4.1837 4.1966 4.1966 4.3698 4.3698 6.5208 6.5208 6.7927 6.7927 6.8664 6.8664 9.9154 9.9154 9.9191 9.9191 9.9574 9.9574 10.4337 10.4337 10.4371 10.4371 14.2094 14.2094 14.2289 14.2289 14.2799 14.2799 14.9136 14.9136 14.9960 14.9960 15.1025 15.1025 k = 0.0811 0.0468 0.0331 ( 3779 PWs) bands (ev): -51.0844 -51.0844 -25.3744 -25.3744 -17.6443 -17.6443 -17.6441 -17.6441 -3.7542 -3.7542 1.2856 1.2856 1.5424 1.5424 1.5708 1.5708 2.7419 2.7419 2.8407 2.8407 2.8451 2.8451 3.5778 3.5778 4.1836 4.1836 4.2015 4.2015 4.4335 4.4335 6.5207 6.5207 6.7992 6.7992 6.8937 6.8937 9.8729 9.8729 9.8754 9.8754 9.9339 9.9339 10.4065 10.4065 10.4115 10.4115 14.1785 14.1785 14.2017 14.2017 14.2765 14.2765 14.9334 14.9334 15.0324 15.0324 15.1571 15.1571 k = 0.0946 0.0546 0.0386 ( 3779 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6444 -17.6444 -17.6441 -17.6441 -3.7398 -3.7398 1.1899 1.1899 1.5215 1.5215 1.5489 1.5489 2.7255 2.7255 2.8683 2.8683 2.8720 2.8720 3.6574 3.6574 4.1844 4.1844 4.2080 4.2080 4.5060 4.5060 6.5138 6.5138 6.8143 6.8143 6.9256 6.9256 9.8183 9.8183 9.8190 9.8190 9.9064 9.9064 10.3819 10.3819 10.3885 10.3885 14.1436 14.1436 14.1695 14.1695 14.2726 14.2726 14.9397 14.9397 15.0875 15.0875 15.2099 15.2099 k = 0.1081 0.0624 0.0441 ( 3773 PWs) bands (ev): -51.0844 -51.0844 -25.3744 -25.3744 -17.6445 -17.6445 -17.6441 -17.6441 -3.7233 -3.7233 1.0892 1.0892 1.4989 1.4989 1.5253 1.5253 2.7056 2.7056 2.8980 2.8980 2.9011 2.9011 3.7431 3.7431 4.1867 4.1867 4.2163 4.2163 4.5860 4.5860 6.4995 6.4995 6.8389 6.8389 6.9618 6.9618 9.7498 9.7498 9.7514 9.7514 9.8747 9.8747 10.3613 10.3613 10.3694 10.3694 14.1052 14.1052 14.1324 14.1324 14.2682 14.2682 14.9370 14.9370 15.1568 15.1568 15.2552 15.2552 k = 0.1216 0.0702 0.0497 ( 3773 PWs) bands (ev): -51.0844 -51.0844 -25.3744 -25.3744 -17.6447 -17.6447 -17.6441 -17.6441 -3.7047 -3.7047 0.9847 0.9847 1.4752 1.4752 1.5002 1.5002 2.6832 2.6832 2.9293 2.9293 2.9316 2.9316 3.8329 3.8329 4.1910 4.1910 4.2267 4.2267 4.6726 4.6726 6.4786 6.4786 6.8727 6.8727 7.0021 7.0021 9.6690 9.6690 9.6728 9.6728 9.8383 9.8383 10.3453 10.3453 10.3546 10.3546 14.0636 14.0636 14.0911 14.0911 14.2633 14.2633 14.9284 14.9284 15.2371 15.2371 15.2874 15.2874 k = 0.1351 0.0780 0.0552 ( 3774 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6448 -17.6448 -17.6442 -17.6442 -3.6839 -3.6839 0.8778 0.8778 1.4505 1.4505 1.4740 1.4740 2.6591 2.6591 2.9616 2.9616 2.9628 2.9628 3.9254 3.9254 4.1979 4.1979 4.2396 4.2396 4.7648 4.7648 6.4529 6.4529 6.9144 6.9144 7.0463 7.0463 9.5778 9.5778 9.5840 9.5840 9.7972 9.7972 10.3335 10.3335 10.3437 10.3437 14.0190 14.0190 14.0459 14.0459 14.2580 14.2580 14.9160 14.9160 15.3030 15.3030 15.3270 15.3270 k = 0.1486 0.0858 0.0607 ( 3783 PWs) bands (ev): -51.0844 -51.0844 -25.3745 -25.3745 -17.6451 -17.6451 -17.6442 -17.6442 -3.6611 -3.6611 0.7693 0.7693 1.4251 1.4251 1.4472 1.4472 2.6341 2.6341 2.9941 2.9941 2.9943 2.9943 4.0190 4.0190 4.2084 4.2084 4.2553 4.2553 4.8612 4.8612 6.4244 6.4244 6.9627 6.9627 7.0940 7.0940 9.4781 9.4781 9.4864 9.4864 9.7512 9.7512 10.3254 10.3254 10.3362 10.3362 13.9720 13.9720 13.9975 13.9975 14.2523 14.2523 14.9008 14.9008 15.3013 15.3013 15.4252 15.4252 k = 0.1622 0.0936 0.0662 ( 3792 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6453 -17.6453 -17.6443 -17.6443 -3.6362 -3.6362 0.6599 0.6599 1.3994 1.3994 1.4199 1.4199 2.6088 2.6088 3.0249 3.0249 3.0269 3.0269 4.1119 4.1119 4.2242 4.2242 4.2743 4.2743 4.9607 4.9607 6.3949 6.3949 7.0164 7.0164 7.1448 7.1448 9.3714 9.3714 9.3820 9.3820 9.7002 9.7002 10.3202 10.3202 10.3313 10.3313 13.9227 13.9227 13.9465 13.9465 14.2462 14.2462 14.8837 14.8837 15.2840 15.2840 15.5294 15.5294 k = 0.1757 0.1014 0.0717 ( 3792 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6455 -17.6455 -17.6443 -17.6443 -3.6093 -3.6093 0.5501 0.5501 1.3735 1.3735 1.3925 1.3925 2.5835 2.5835 3.0545 3.0545 3.0588 3.0588 4.1959 4.1959 4.2530 4.2530 4.2968 4.2968 5.0617 5.0617 6.3666 6.3666 7.0745 7.0745 7.1984 7.1984 9.2593 9.2593 9.2721 9.2721 9.6443 9.6443 10.3172 10.3172 10.3284 10.3284 13.8717 13.8717 13.8933 13.8933 14.2399 14.2399 14.8655 14.8655 15.2537 15.2537 15.5823 15.5823 k = 0.1892 0.1092 0.0772 ( 3789 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6457 -17.6457 -17.6444 -17.6444 -3.5805 -3.5805 0.4405 0.4405 1.3477 1.3477 1.3652 1.3652 2.5587 2.5587 3.0824 3.0824 3.0895 3.0895 4.2448 4.2448 4.3214 4.3214 4.3233 4.3233 5.1624 5.1624 6.3415 6.3415 7.1360 7.1360 7.2541 7.2541 9.1433 9.1433 9.1585 9.1585 9.5835 9.5835 10.3159 10.3159 10.3270 10.3270 13.8192 13.8192 13.8385 13.8385 14.2333 14.2333 14.8465 14.8465 15.2123 15.2123 15.5276 15.5276 k = 0.2027 0.1170 0.0828 ( 3783 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6458 -17.6458 -17.6444 -17.6444 -3.5498 -3.5498 0.3313 0.3313 1.3222 1.3222 1.3381 1.3381 2.5346 2.5346 3.1082 3.1082 3.1188 3.1188 4.2767 4.2767 4.3540 4.3540 4.4108 4.4108 5.2609 5.2609 6.3222 6.3222 7.2000 7.2000 7.3115 7.3115 9.0245 9.0245 9.0424 9.0424 9.5178 9.5178 10.3157 10.3157 10.3265 10.3265 13.7658 13.7658 13.7826 13.7826 14.2266 14.2266 14.8273 14.8273 15.1613 15.1613 15.4577 15.4577 k = 0.2162 0.1248 0.0883 ( 3783 PWs) bands (ev): -51.0844 -51.0844 -25.3746 -25.3746 -17.6460 -17.6460 -17.6444 -17.6444 -3.5173 -3.5173 0.2228 0.2228 1.2970 1.2970 1.3114 1.3114 2.5113 2.5113 3.1314 3.1314 3.1461 3.1461 4.3105 4.3105 4.3893 4.3893 4.5022 4.5022 5.3545 5.3545 6.3117 6.3117 7.2656 7.2656 7.3695 7.3695 8.9045 8.9045 8.9254 8.9254 9.4474 9.4474 10.3161 10.3161 10.3266 10.3266 13.7119 13.7119 13.7262 13.7262 14.2197 14.2197 14.8082 14.8082 15.1014 15.1014 15.3771 15.3771 k = 0.2297 0.1326 0.0938 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6463 -17.6463 -17.6445 -17.6445 -3.4830 -3.4830 0.1154 0.1154 1.2724 1.2724 1.2854 1.2854 2.4891 2.4891 3.1519 3.1519 3.1714 3.1714 4.3490 4.3490 4.4293 4.4293 4.5921 4.5921 5.4405 5.4405 6.3132 6.3132 7.3316 7.3316 7.4269 7.4269 8.7846 8.7846 8.8091 8.8091 9.3724 9.3724 10.3168 10.3168 10.3268 10.3268 13.6578 13.6578 13.6696 13.6696 14.2127 14.2127 14.7893 14.7893 15.0333 15.0333 15.2872 15.2872 k = 0.2432 0.1404 0.0993 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6465 -17.6465 -17.6446 -17.6446 -3.4470 -3.4470 0.0093 0.0093 1.2485 1.2485 1.2600 1.2600 2.4680 2.4680 3.1695 3.1695 3.1944 3.1944 4.3928 4.3928 4.4741 4.4741 4.6790 4.6790 5.5165 5.5165 6.3301 6.3301 7.3963 7.3963 7.4821 7.4821 8.6667 8.6667 8.6955 8.6955 9.2931 9.2931 10.3175 10.3175 10.3269 10.3269 13.6040 13.6040 13.6134 13.6134 14.2057 14.2057 14.7710 14.7710 14.9577 14.9577 15.1900 15.1900 k = 0.2568 0.1482 0.1048 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3748 -25.3748 -17.6467 -17.6467 -17.6446 -17.6446 -3.4095 -3.4095 -0.0953 -0.0953 1.2253 1.2253 1.2354 1.2354 2.4481 2.4481 3.1843 3.1843 3.2151 3.2151 4.4421 4.4421 4.5238 4.5238 4.7611 4.7611 5.5813 5.5813 6.3646 6.3646 7.4572 7.4572 7.5324 7.5324 8.5533 8.5533 8.5876 8.5876 9.2095 9.2095 10.3178 10.3178 10.3265 10.3265 13.5510 13.5510 13.5579 13.5579 14.1987 14.1987 14.7533 14.7533 14.8755 14.8755 15.0877 15.0877 k = 0.2703 0.1560 0.1103 ( 3786 PWs) bands (ev): -51.0844 -51.0844 -25.3747 -25.3747 -17.6469 -17.6469 -17.6446 -17.6446 -3.3705 -3.3705 -0.1980 -0.1980 1.2031 1.2031 1.2117 1.2117 2.4295 2.4295 3.1965 3.1965 3.2335 3.2335 4.4969 4.4969 4.5784 4.5784 4.8366 4.8366 5.6362 5.6362 6.4172 6.4172 7.5107 7.5107 7.5738 7.5738 8.4482 8.4482 8.4895 8.4895 9.1221 9.1221 10.3174 10.3174 10.3253 10.3253 13.4992 13.4992 13.5036 13.5036 14.1918 14.1918 14.7361 14.7361 14.7878 14.7878 14.9825 14.9825 k = 0.2838 0.1638 0.1159 ( 3792 PWs) bands (ev): -51.0844 -51.0844 -25.3748 -25.3748 -17.6472 -17.6472 -17.6447 -17.6447 -3.3302 -3.3302 -0.2988 -0.2988 1.1817 1.1817 1.1891 1.1891 2.4121 2.4121 3.2061 3.2061 3.2496 3.2496 4.5570 4.5570 4.6377 4.6377 4.9034 4.9034 5.6851 5.6851 6.4855 6.4855 7.5507 7.5507 7.6001 7.6001 8.3574 8.3574 8.4073 8.4073 9.0310 9.0310 10.3160 10.3160 10.3232 10.3232 13.4489 13.4489 13.4508 13.4508 14.1850 14.1850 14.6961 14.6961 14.7186 14.7186 14.8769 14.8769 k = 0.2973 0.1716 0.1214 ( 3792 PWs) bands (ev): -51.0844 -51.0844 -25.3748 -25.3748 -17.6474 -17.6474 -17.6447 -17.6447 -3.2887 -3.2887 -0.3974 -0.3974 1.1614 1.1614 1.1675 1.1675 2.3961 2.3961 3.2135 3.2135 3.2635 3.2635 4.6221 4.6221 4.7016 4.7016 4.9593 4.9593 5.7334 5.7334 6.5661 6.5661 7.5685 7.5685 7.6036 7.6036 8.2894 8.2894 8.3487 8.3487 8.9365 8.9365 10.3134 10.3134 10.3197 10.3197 13.4000 13.4000 13.4007 13.4007 14.1784 14.1784 14.6016 14.6016 14.6965 14.6965 14.7769 14.7769 k = 0.3108 0.1794 0.1269 ( 3789 PWs) bands (ev): -51.0844 -51.0844 -25.3748 -25.3748 -17.6476 -17.6476 -17.6447 -17.6447 -3.2462 -3.2462 -0.4935 -0.4935 1.1421 1.1421 1.1471 1.1471 2.3813 2.3813 3.2190 3.2190 3.2756 3.2756 4.6919 4.6919 4.7699 4.7699 5.0028 5.0028 5.7862 5.7862 6.6548 6.6548 7.5551 7.5551 7.5780 7.5780 8.2531 8.2531 8.3199 8.3199 8.8389 8.8389 10.3094 10.3094 10.3148 10.3148 13.3514 13.3514 13.3549 13.3549 14.1719 14.1719 14.5059 14.5059 14.6393 14.6393 14.7142 14.7142 k = 0.3243 0.1872 0.1324 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3748 -25.3748 -17.6478 -17.6478 -17.6448 -17.6448 -3.2029 -3.2029 -0.5868 -0.5868 1.1240 1.1240 1.1278 1.1278 2.3677 2.3677 3.2229 3.2229 3.2858 3.2858 4.7659 4.7659 4.8425 4.8425 5.0335 5.0335 5.8470 5.8470 6.7482 6.7482 7.5074 7.5074 7.5226 7.5226 8.2512 8.2512 8.3213 8.3213 8.7388 8.7388 10.3038 10.3038 10.3082 10.3082 13.3055 13.3055 13.3120 13.3120 14.1657 14.1657 14.4101 14.4101 14.5439 14.5439 14.6932 14.6932 k = 0.3378 0.1951 0.1379 ( 3801 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6480 -17.6480 -17.6449 -17.6449 -3.1592 -3.1592 -0.6771 -0.6771 1.1071 1.1071 1.1098 1.1098 2.3555 2.3555 3.2254 3.2254 3.2944 3.2944 4.8434 4.8434 4.9191 4.9191 5.0527 5.0527 5.9173 5.9173 6.8432 6.8432 7.4313 7.4313 7.4434 7.4434 8.2776 8.2776 8.3469 8.3469 8.6365 8.6365 10.2964 10.2964 10.2997 10.2997 13.2626 13.2626 13.2722 13.2722 14.1599 14.1599 14.3155 14.3155 14.4447 14.4447 14.6803 14.6803 k = 0.3514 0.2029 0.1434 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6482 -17.6482 -17.6449 -17.6449 -3.1153 -3.1153 -0.7639 -0.7639 1.0913 1.0913 1.0931 1.0931 2.3444 2.3444 3.2269 3.2269 3.3016 3.3016 4.9230 4.9230 4.9995 4.9995 5.0636 5.0636 5.9969 5.9969 6.9373 6.9373 7.3361 7.3361 7.3479 7.3479 8.3218 8.3218 8.3885 8.3885 8.5330 8.5330 10.2871 10.2871 10.2893 10.2893 13.2229 13.2229 13.2359 13.2359 14.1543 14.1543 14.2232 14.2232 14.3480 14.3480 14.6702 14.6702 k = 0.3649 0.2107 0.1490 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6484 -17.6484 -17.6449 -17.6449 -3.0715 -3.0715 -0.8469 -0.8469 1.0769 1.0769 1.0777 1.0777 2.3345 2.3345 3.2275 3.2275 3.3076 3.3076 4.9973 4.9973 5.0758 5.0758 5.0835 5.0835 6.0846 6.0846 7.0283 7.0283 7.2292 7.2292 7.2422 7.2422 8.3689 8.3689 8.4360 8.4360 8.4398 8.4398 10.2760 10.2760 10.2770 10.2770 13.1868 13.1868 13.2035 13.2035 14.1340 14.1340 14.1491 14.1491 14.2556 14.2556 14.6617 14.6617 k = 0.3784 0.2185 0.1545 ( 3798 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6485 -17.6485 -17.6450 -17.6450 -3.0284 -3.0284 -0.9256 -0.9256 1.0637 1.0637 1.0637 1.0637 2.3257 2.3257 3.2275 3.2275 3.3125 3.3125 5.0323 5.0323 5.1253 5.1253 5.1709 5.1709 6.1788 6.1788 7.1065 7.1065 7.1237 7.1237 7.1303 7.1303 8.3108 8.3108 8.4485 8.4485 8.4960 8.4960 10.2629 10.2629 10.2631 10.2631 13.1544 13.1544 13.1751 13.1751 14.0491 14.0491 14.1443 14.1443 14.1686 14.1686 14.6547 14.6547 k = 0.3919 0.2263 0.1600 ( 3798 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6487 -17.6487 -17.6450 -17.6450 -2.9864 -2.9864 -0.9995 -0.9995 1.0510 1.0510 1.0518 1.0518 2.3179 2.3179 3.2270 3.2270 3.3166 3.3166 5.0321 5.0321 5.2099 5.2099 5.2615 5.2615 6.2781 6.2781 6.9972 6.9972 7.0150 7.0150 7.1951 7.1951 8.2062 8.2062 8.5089 8.5089 8.5539 8.5539 10.2471 10.2471 10.2486 10.2486 13.1259 13.1259 13.1509 13.1509 13.9692 13.9692 14.0877 14.0877 14.1399 14.1399 14.6491 14.6491 k = 0.4054 0.2341 0.1655 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6488 -17.6488 -17.6451 -17.6451 -2.9463 -2.9463 -1.0678 -1.0678 1.0399 1.0399 1.0413 1.0413 2.3113 2.3113 3.2263 3.2263 3.3198 3.3198 5.0241 5.0241 5.3037 5.3037 5.3552 5.3552 6.3812 6.3812 6.8779 6.8779 6.8978 6.8978 7.2659 7.2659 8.1005 8.1005 8.5703 8.5703 8.6110 8.6110 10.2302 10.2302 10.2331 10.2331 13.1013 13.1013 13.1310 13.1310 13.8952 13.8952 14.0138 14.0138 14.1360 14.1360 14.6446 14.6446 k = 0.4189 0.2419 0.1710 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6489 -17.6489 -17.6451 -17.6451 -2.9087 -2.9087 -1.1299 -1.1299 1.0301 1.0301 1.0322 1.0322 2.3056 2.3056 3.2254 3.2254 3.3224 3.3224 5.0141 5.0141 5.4017 5.4017 5.4517 5.4517 6.4868 6.4868 6.7579 6.7579 6.7798 6.7798 7.3256 7.3256 7.9973 7.9973 8.6291 8.6291 8.6653 8.6653 10.2126 10.2126 10.2169 10.2169 13.0806 13.0806 13.1152 13.1152 13.8280 13.8280 13.9477 13.9477 14.1325 14.1325 14.6412 14.6412 k = 0.4324 0.2497 0.1765 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6490 -17.6490 -17.6451 -17.6451 -2.8745 -2.8745 -1.1849 -1.1849 1.0218 1.0218 1.0244 1.0244 2.3009 2.3009 3.2244 3.2244 3.3244 3.3244 5.0040 5.0040 5.5031 5.5031 5.5508 5.5508 6.5904 6.5904 6.6416 6.6416 6.6618 6.6618 7.3700 7.3700 7.9002 7.9002 8.6829 8.6829 8.7150 8.7150 10.1952 10.1952 10.2008 10.2008 13.0637 13.0637 13.1033 13.1033 13.7686 13.7686 13.8900 13.8900 14.1296 14.1296 14.6387 14.6387 k = 0.4459 0.2575 0.1821 ( 3801 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6490 -17.6490 -17.6451 -17.6451 -2.8445 -2.8445 -1.2317 -1.2317 1.0150 1.0150 1.0180 1.0180 2.2970 2.2970 3.2236 3.2236 3.3260 3.3260 4.9947 4.9947 5.6072 5.6072 5.6525 5.6525 6.5153 6.5153 6.5443 6.5443 6.7052 6.7052 7.3929 7.3929 7.8156 7.8156 8.7301 8.7301 8.7586 8.7586 10.1789 10.1789 10.1858 10.1858 13.0505 13.0505 13.0949 13.0949 13.7179 13.7179 13.8415 13.8415 14.1271 14.1271 14.6371 14.6371 k = 0.4595 0.2653 0.1876 ( 3801 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6452 -17.6452 -2.8199 -2.8199 -1.2696 -1.2696 1.0097 1.0097 1.0130 1.0130 2.2941 2.2941 3.2228 3.2228 3.3271 3.3271 4.9869 4.9869 5.7138 5.7138 5.7564 5.7564 6.3968 6.3968 6.4279 6.4279 6.8122 6.8122 7.3853 7.3853 7.7529 7.7529 8.7690 8.7690 8.7945 8.7945 10.1646 10.1646 10.1726 10.1726 13.0406 13.0406 13.0894 13.0894 13.6769 13.6769 13.8030 13.8030 14.1252 14.1252 14.6361 14.6361 k = 0.4730 0.2731 0.1931 ( 3813 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6493 -17.6493 -17.6452 -17.6452 -2.8015 -2.8015 -1.2974 -1.2974 1.0059 1.0059 1.0095 1.0095 2.2920 2.2920 3.2223 3.2223 3.3279 3.3279 4.9811 4.9811 5.8227 5.8227 5.8622 5.8622 6.2791 6.2791 6.3131 6.3131 6.9161 6.9161 7.3436 7.3436 7.7177 7.7177 8.7980 8.7980 8.8212 8.8212 10.1534 10.1534 10.1624 10.1624 13.0339 13.0339 13.0862 13.0862 13.6467 13.6467 13.7749 13.7749 14.1238 14.1238 14.6355 14.6355 k = 0.4865 0.2809 0.1986 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6493 -17.6493 -17.6452 -17.6452 -2.7901 -2.7901 -1.3145 -1.3145 1.0037 1.0037 1.0073 1.0073 2.2908 2.2908 3.2219 3.2219 3.3283 3.3283 4.9775 4.9775 5.9335 5.9335 5.9687 5.9687 6.1629 6.1629 6.2011 6.2011 7.0087 7.0087 7.2817 7.2817 7.7036 7.7036 8.8160 8.8160 8.8378 8.8378 10.1463 10.1463 10.1558 10.1558 13.0299 13.0299 13.0846 13.0846 13.6282 13.6282 13.7578 13.7578 14.1230 14.1230 14.6353 14.6353 k = 0.5000 0.2887 0.2041 ( 3798 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6451 -17.6451 -2.7862 -2.7862 -1.3202 -1.3202 1.0029 1.0029 1.0066 1.0066 2.2904 2.2904 3.2218 3.2218 3.3285 3.3285 4.9763 4.9763 6.0350 6.0350 6.0517 6.0517 6.0596 6.0596 6.1164 6.1164 7.0561 7.0561 7.2431 7.2431 7.7003 7.7003 8.8221 8.8221 8.8434 8.8434 10.1438 10.1438 10.1536 10.1536 13.0286 13.0286 13.0841 13.0841 13.6219 13.6219 13.7521 13.7521 14.1227 14.1227 14.6352 14.6352 k = 0.5000 0.2887 0.2041 ( 3798 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6451 -17.6451 -2.7862 -2.7862 -1.3202 -1.3202 1.0029 1.0029 1.0066 1.0066 2.2904 2.2904 3.2218 3.2218 3.3285 3.3285 4.9763 4.9763 6.0350 6.0350 6.0517 6.0517 6.0596 6.0596 6.1164 6.1164 7.0561 7.0561 7.2431 7.2431 7.7003 7.7003 8.8221 8.8221 8.8434 8.8434 10.1438 10.1438 10.1536 10.1536 13.0286 13.0286 13.0841 13.0841 13.6219 13.6219 13.7521 13.7521 14.1227 14.1227 14.6352 14.6352 k = 0.5046 0.2753 0.2117 ( 3802 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6452 -17.6452 -2.7856 -2.7856 -1.3191 -1.3191 0.9963 0.9963 1.0042 1.0042 2.2984 2.2984 3.2213 3.2213 3.3277 3.3277 4.9835 4.9835 5.9816 5.9816 6.0220 6.0220 6.0995 6.0995 6.1489 6.1489 7.0610 7.0610 7.2479 7.2479 7.7029 7.7029 8.8230 8.8230 8.8442 8.8442 10.1400 10.1400 10.1498 10.1498 13.0139 13.0139 13.0706 13.0706 13.6106 13.6106 13.7424 13.7424 14.1617 14.1617 14.6449 14.6449 k = 0.5093 0.2619 0.2192 ( 3806 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6492 -17.6492 -17.6452 -17.6452 -2.7839 -2.7839 -1.3156 -1.3156 0.9732 0.9732 1.0008 1.0008 2.3218 2.3218 3.2186 3.2186 3.3268 3.3268 5.0046 5.0046 5.9143 5.9143 5.9636 5.9636 6.1454 6.1454 6.1971 6.1971 7.0758 7.0758 7.2617 7.2617 7.7107 7.7107 8.8257 8.8257 8.8466 8.8466 10.1279 10.1279 10.1392 10.1392 12.9705 12.9705 13.0324 13.0324 13.5666 13.5666 13.7453 13.7453 14.2536 14.2536 14.6739 14.6739 k = 0.5139 0.2486 0.2268 ( 3802 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6452 -17.6452 -2.7811 -2.7811 -1.3098 -1.3098 0.9362 0.9362 0.9957 0.9957 2.3582 2.3582 3.2111 3.2111 3.3297 3.3297 5.0386 5.0386 5.8386 5.8386 5.9047 5.9047 6.1759 6.1759 6.2502 6.2502 7.1000 7.1000 7.2835 7.2835 7.7239 7.7239 8.8303 8.8303 8.8507 8.8507 10.1065 10.1065 10.1230 10.1230 12.9029 12.9029 12.9718 12.9718 13.5044 13.5044 13.7712 13.7712 14.3674 14.3674 14.7216 14.7216 k = 0.5185 0.2352 0.2344 ( 3804 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6492 -17.6492 -17.6452 -17.6452 -2.7771 -2.7771 -1.3016 -1.3016 0.8878 0.8878 0.9886 0.9886 2.4047 2.4047 3.1971 3.1971 3.3399 3.3399 5.0842 5.0842 5.7556 5.7556 5.8480 5.8480 6.1903 6.1903 6.3078 6.3078 7.1325 7.1325 7.3116 7.3116 7.7427 7.7427 8.8367 8.8367 8.8563 8.8563 10.0757 10.0757 10.1016 10.1016 12.8180 12.8180 12.8894 12.8894 13.4468 13.4468 13.8053 13.8053 14.4876 14.4876 14.7869 14.7869 k = 0.5231 0.2219 0.2419 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6453 -17.6453 -2.7720 -2.7720 -1.2912 -1.2912 0.8304 0.8304 0.9799 0.9799 2.4573 2.4573 3.1785 3.1785 3.3584 3.3584 5.1391 5.1391 5.6677 5.6677 5.7935 5.7935 6.1917 6.1917 6.3678 6.3678 7.1715 7.1715 7.3444 7.3444 7.7676 7.7676 8.8448 8.8448 8.8635 8.8635 10.0358 10.0358 10.0747 10.0747 12.7211 12.7211 12.7890 12.7890 13.4011 13.4011 13.8397 13.8397 14.6071 14.6071 14.8675 14.8675 k = 0.5278 0.2085 0.2495 ( 3792 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6453 -17.6453 -2.7658 -2.7658 -1.2784 -1.2784 0.7661 0.7661 0.9695 0.9695 2.5114 2.5114 3.1597 3.1597 3.3844 3.3844 5.2001 5.2001 5.5785 5.5785 5.7406 5.7406 6.1832 6.1832 6.4292 6.4292 7.2148 7.2148 7.3805 7.3805 7.7987 7.7987 8.8544 8.8544 8.8722 8.8722 9.9873 9.9873 10.0424 10.0424 12.6137 12.6137 12.6783 12.6783 13.3669 13.3669 13.8716 13.8716 14.7210 14.7210 14.9594 14.9594 k = 0.5324 0.1951 0.2570 ( 3794 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6454 -17.6454 -2.7586 -2.7586 -1.2635 -1.2635 0.6968 0.6968 0.9576 0.9576 2.5611 2.5611 3.1469 3.1469 3.4169 3.4169 5.2592 5.2592 5.4955 5.4955 5.6893 5.6893 6.1677 6.1677 6.4917 6.4917 7.2601 7.2601 7.4187 7.4187 7.8361 7.8361 8.8656 8.8656 8.8824 8.8824 9.9304 9.9304 10.0049 10.0049 12.4947 12.4947 12.5660 12.5660 13.3418 13.3418 13.9002 13.9002 14.8254 14.8254 15.0543 15.0543 k = 0.5370 0.1818 0.2646 ( 3793 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6455 -17.6455 -2.7504 -2.7504 -1.2462 -1.2462 0.6238 0.6238 0.9445 0.9445 2.5997 2.5997 3.1470 3.1470 3.4551 3.4551 5.2832 5.2832 5.4509 5.4509 5.6395 5.6395 6.1475 6.1475 6.5548 6.5548 7.3056 7.3056 7.4580 7.4580 7.8796 7.8796 8.8779 8.8779 8.8943 8.8943 9.8657 9.8657 9.9625 9.9625 12.3645 12.3645 12.4573 12.4573 13.3240 13.3240 13.9257 13.9257 14.9145 14.9145 15.1302 15.1302 k = 0.5417 0.1684 0.2722 ( 3787 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6491 -17.6491 -17.6455 -17.6455 -2.7412 -2.7412 -1.2268 -1.2268 0.5484 0.5484 0.9303 0.9303 2.6209 2.6209 3.1668 3.1668 3.4986 3.4986 5.2283 5.2283 5.4867 5.4867 5.5919 5.5919 6.1253 6.1253 6.6185 6.6185 7.3500 7.3500 7.4980 7.4980 7.9286 7.9286 8.8910 8.8910 8.9080 8.9080 9.7935 9.7935 9.9152 9.9152 12.2268 12.2268 12.3523 12.3523 13.3123 13.3123 13.9488 13.9488 14.9753 14.9753 15.1675 15.1675 k = 0.5463 0.1550 0.2797 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6457 -17.6457 -2.7311 -2.7311 -1.2051 -1.2051 0.4714 0.4714 0.9151 0.9151 2.6219 2.6219 3.2089 3.2089 3.5468 3.5468 5.1391 5.1391 5.5339 5.5339 5.5688 5.5688 6.1040 6.1040 6.6827 6.6827 7.3923 7.3923 7.5384 7.5384 7.9821 7.9821 8.9043 8.9043 8.9237 8.9237 9.7143 9.7143 9.8636 9.8636 12.0850 12.0850 12.2504 12.2504 13.3060 13.3060 13.9700 13.9700 14.9940 14.9940 15.2071 15.2071 k = 0.5509 0.1417 0.2873 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6458 -17.6458 -2.7202 -2.7202 -1.1813 -1.1813 0.3935 0.3935 0.8993 0.8993 2.6053 2.6053 3.2708 3.2708 3.5995 3.5995 5.0419 5.0419 5.4946 5.4946 5.6386 5.6386 6.0877 6.0877 6.7472 6.7472 7.4322 7.4322 7.5789 7.5789 8.0389 8.0389 8.9177 8.9177 8.9414 8.9414 9.6287 9.6287 9.8079 9.8079 11.9409 11.9409 12.1516 12.1516 13.3048 13.3048 13.9898 13.9898 14.9799 14.9799 15.2602 15.2602 k = 0.5556 0.1283 0.2948 ( 3801 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6491 -17.6491 -17.6459 -17.6459 -2.7085 -2.7085 -1.1554 -1.1554 0.3154 0.3154 0.8829 0.8829 2.5761 2.5761 3.3475 3.3475 3.6564 3.6564 4.9423 4.9423 5.4504 5.4504 5.7077 5.7077 6.0831 6.0831 6.8119 6.8119 7.4696 7.4696 7.6194 7.6194 8.0976 8.0976 8.9307 8.9307 8.9608 8.9608 9.5375 9.5375 9.7485 9.7485 11.7958 11.7958 12.0559 12.0559 13.3086 13.3086 14.0086 14.0086 14.9509 14.9509 15.3150 15.3150 k = 0.5602 0.1149 0.3024 ( 3799 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6460 -17.6460 -2.6961 -2.6961 -1.1275 -1.1275 0.2376 0.2376 0.8662 0.8662 2.5389 2.5389 3.4344 3.4344 3.7172 3.7172 4.8422 4.8422 5.4071 5.4071 5.7587 5.7587 6.1003 6.1003 6.8767 6.8767 7.5047 7.5047 7.6597 7.6597 8.1570 8.1570 8.9432 8.9432 8.9813 8.9813 9.4418 9.4418 9.6859 9.6859 11.6506 11.6506 11.9635 11.9635 13.3172 13.3172 14.0269 14.0269 14.9159 14.9159 15.3655 15.3655 k = 0.5648 0.1016 0.3100 ( 3799 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6491 -17.6491 -17.6461 -17.6461 -2.6832 -2.6832 -1.0975 -1.0975 0.1604 0.1604 0.8494 0.8494 2.4971 2.4971 3.5278 3.5278 3.7817 3.7817 4.7428 4.7428 5.3650 5.3650 5.7832 5.7832 6.1468 6.1468 6.9414 6.9414 7.5379 7.5379 7.6996 7.6996 8.2158 8.2158 8.9550 8.9550 9.0016 9.0016 9.3435 9.3435 9.6206 9.6206 11.5057 11.5057 11.8747 11.8747 13.3306 13.3306 14.0449 14.0449 14.8787 14.8787 15.4102 15.4102 k = 0.5694 0.0882 0.3175 ( 3805 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6491 -17.6491 -17.6462 -17.6462 -2.6697 -2.6697 -1.0657 -1.0657 0.0843 0.0843 0.8324 0.8324 2.4528 2.4528 3.6251 3.6251 3.8496 3.8496 4.6448 4.6448 5.3242 5.3242 5.7842 5.7842 6.2190 6.2190 7.0061 7.0061 7.5695 7.5695 7.7390 7.7390 8.2727 8.2727 8.9658 8.9658 9.0169 9.0169 9.2477 9.2477 9.5532 9.5532 11.3616 11.3616 11.7897 11.7897 13.3487 13.3487 14.0628 14.0628 14.8412 14.8412 15.4494 15.4494 k = 0.5741 0.0748 0.3251 ( 3805 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6491 -17.6491 -17.6464 -17.6464 -2.6560 -2.6560 -1.0319 -1.0319 0.0096 0.0096 0.8157 0.8157 2.4075 2.4075 3.7238 3.7238 3.9208 3.9208 4.5494 4.5494 5.2846 5.2846 5.7716 5.7716 6.3068 6.3068 7.0704 7.0704 7.5997 7.5997 7.7775 7.7775 8.3268 8.3268 8.9755 8.9755 9.0096 9.0096 9.1728 9.1728 9.4844 9.4844 11.2186 11.2186 11.7085 11.7085 13.3714 13.3714 14.0809 14.0809 14.8042 14.8042 15.4834 15.4834 k = 0.5787 0.0615 0.3326 ( 3806 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6490 -17.6490 -17.6465 -17.6465 -2.6420 -2.6420 -0.9965 -0.9965 -0.0632 -0.0632 0.7991 0.7991 2.3622 2.3622 3.8211 3.8211 3.9950 3.9950 4.4587 4.4587 5.2465 5.2465 5.7524 5.7524 6.4025 6.4025 7.1343 7.1343 7.6289 7.6289 7.8149 7.8149 8.3770 8.3770 8.9461 8.9461 8.9839 8.9839 9.1523 9.1523 9.4153 9.4153 11.0770 11.0770 11.6310 11.6310 13.3985 13.3985 14.0991 14.0991 14.7686 14.7686 15.5131 15.5131 k = 0.5833 0.0481 0.3402 ( 3808 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6491 -17.6491 -17.6466 -17.6466 -2.6281 -2.6281 -0.9594 -0.9594 -0.1338 -0.1338 0.7830 0.7830 2.3176 2.3176 3.9115 3.9115 4.0718 4.0718 4.3773 4.3773 5.2097 5.2097 5.7309 5.7309 6.5013 6.5013 7.1977 7.1977 7.6573 7.6573 7.8512 7.8512 8.4223 8.4223 8.8444 8.8444 8.9904 8.9904 9.1693 9.1693 9.3471 9.3471 10.9370 10.9370 11.5573 11.5573 13.4299 13.4299 14.1178 14.1178 14.7349 14.7349 15.5389 15.5389 k = 0.5880 0.0347 0.3478 ( 3804 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6490 -17.6490 -17.6467 -17.6467 -2.6143 -2.6143 -0.9209 -0.9209 -0.2017 -0.2017 0.7673 0.7673 2.2742 2.2742 3.9815 3.9815 4.1510 4.1510 4.3182 4.3182 5.1744 5.1744 5.7096 5.7096 6.6005 6.6005 7.2603 7.2603 7.6850 7.6850 7.8859 7.8859 8.4616 8.4616 8.7296 8.7296 8.9951 8.9951 9.1985 9.1985 9.2819 9.2819 10.7989 10.7989 11.4869 11.4869 13.4655 13.4655 14.1370 14.1370 14.7033 14.7033 15.5614 15.5614 k = 0.5926 0.0214 0.3553 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6490 -17.6490 -17.6467 -17.6467 -2.6010 -2.6010 -0.8814 -0.8814 -0.2664 -0.2664 0.7522 0.7522 2.2324 2.2324 4.0022 4.0022 4.2325 4.2325 4.3095 4.3095 5.1405 5.1405 5.6902 5.6902 6.6975 6.6975 7.3221 7.3221 7.7125 7.7125 7.9188 7.9188 8.4938 8.4938 8.6091 8.6091 8.9978 8.9978 9.2128 9.2128 9.2417 9.2417 10.6630 10.6630 11.4196 11.4196 13.5051 13.5051 14.1568 14.1568 14.6741 14.6741 15.5810 15.5810 k = 0.5972 0.0080 0.3629 ( 3806 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6468 -17.6468 -2.5882 -2.5882 -0.8411 -0.8411 -0.3272 -0.3272 0.7378 0.7378 2.1924 2.1924 3.9636 3.9636 4.3170 4.3170 4.3587 4.3587 5.1083 5.1083 5.6740 5.6740 6.7904 6.7904 7.3828 7.3828 7.7398 7.7398 7.9492 7.9492 8.4849 8.4849 8.5185 8.5185 8.9983 8.9983 9.1630 9.1630 9.2762 9.2762 10.5297 10.5297 11.3550 11.3550 13.5486 13.5486 14.1773 14.1773 14.6476 14.6476 15.5981 15.5981 k = 0.6019-0.0053 0.3704 ( 3814 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6491 -17.6491 -17.6469 -17.6469 -2.5764 -2.5764 -0.8010 -0.8010 -0.3830 -0.3830 0.7242 0.7242 2.1544 2.1544 3.8951 3.8951 4.4047 4.4047 4.4352 4.4352 5.0778 5.0778 5.6626 5.6626 6.8770 6.8770 7.4424 7.4424 7.7672 7.7672 7.9758 7.9758 8.3593 8.3593 8.5337 8.5337 8.9965 8.9965 9.1193 9.1193 9.3173 9.3173 10.3996 10.3996 11.2924 11.2924 13.5959 13.5959 14.1984 14.1984 14.6240 14.6240 15.6130 15.6130 k = 0.6065-0.0187 0.3780 ( 3818 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6491 -17.6491 -17.6470 -17.6470 -2.5658 -2.5658 -0.7625 -0.7625 -0.4319 -0.4319 0.7114 0.7114 2.1186 2.1186 3.8166 3.8166 4.4937 4.4937 4.5187 4.5187 5.0494 5.0494 5.6576 5.6576 6.9552 6.9552 7.5005 7.5005 7.7947 7.7947 7.9973 7.9973 8.2322 8.2322 8.5412 8.5412 8.9928 8.9928 9.0877 9.0877 9.3604 9.3604 10.2734 10.2734 11.2314 11.2314 13.6467 13.6467 14.2201 14.2201 14.6035 14.6035 15.6260 15.6260 k = 0.6111-0.0321 0.3856 ( 3814 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6491 -17.6491 -17.6470 -17.6470 -2.5568 -2.5568 -0.7287 -0.7287 -0.4706 -0.4706 0.6995 0.6995 2.0851 2.0851 3.7352 3.7352 4.5829 4.5829 4.6010 4.6010 5.0238 5.0238 5.6609 5.6609 7.0231 7.0231 7.5571 7.5571 7.8212 7.8212 8.0115 8.0115 8.1043 8.1043 8.5439 8.5439 8.9880 8.9880 9.0694 9.0694 9.4037 9.4037 10.1527 10.1527 11.1712 11.1712 13.7009 13.7009 14.2423 14.2423 14.5863 14.5863 15.6375 15.6375 k = 0.6157-0.0454 0.3931 ( 3809 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6491 -17.6491 -17.6470 -17.6470 -2.5495 -2.5495 -0.7056 -0.7056 -0.4928 -0.4928 0.6886 0.6886 2.0539 2.0539 3.6536 3.6536 4.6700 4.6700 4.6777 4.6777 5.0026 5.0026 5.6744 5.6744 7.0789 7.0789 7.6118 7.6118 7.8435 7.8435 7.9758 7.9758 8.0188 8.0188 8.5468 8.5468 8.9834 8.9834 9.0633 9.0633 9.4445 9.4445 10.0401 10.0401 11.1114 11.1114 13.7583 13.7583 14.2646 14.2646 14.5726 14.5726 15.6476 15.6476 k = 0.6204-0.0588 0.4007 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6491 -17.6491 -17.6470 -17.6470 -2.5445 -2.5445 -0.7001 -0.7001 -0.4914 -0.4914 0.6787 0.6787 2.0251 2.0251 3.5730 3.5730 4.7425 4.7425 4.7531 4.7531 4.9902 4.9902 5.7003 5.7003 7.1217 7.1217 7.6635 7.6635 7.8472 7.8472 7.8558 7.8558 8.0221 8.0221 8.5550 8.5550 8.9807 8.9807 9.0673 9.0673 9.4769 9.4769 9.9419 9.9419 11.0514 11.0514 13.8188 13.8188 14.2863 14.2863 14.5629 14.5629 15.6567 15.6567 k = 0.6250-0.0722 0.4082 ( 3811 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6492 -17.6492 -17.6471 -17.6471 -2.5420 -2.5420 -0.7109 -0.7109 -0.4672 -0.4672 0.6699 0.6699 1.9986 1.9986 3.4943 3.4943 4.7974 4.7974 4.8155 4.8155 4.9990 4.9990 5.7400 5.7400 7.1510 7.1510 7.6927 7.6927 7.7432 7.7432 7.8415 7.8415 8.0320 8.0320 8.5703 8.5703 8.9822 8.9822 9.0793 9.0793 9.4883 9.4883 9.8707 9.8707 10.9908 10.9908 13.8822 13.8822 14.3067 14.3067 14.5580 14.5580 15.6650 15.6650 k = 0.6250-0.0722 0.4082 ( 3811 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6492 -17.6492 -17.6471 -17.6471 -2.5420 -2.5420 -0.7109 -0.7109 -0.4672 -0.4672 0.6699 0.6699 1.9986 1.9986 3.4943 3.4943 4.7974 4.7974 4.8155 4.8155 4.9990 4.9990 5.7400 5.7400 7.1510 7.1510 7.6927 7.6927 7.7432 7.7432 7.8415 7.8415 8.0320 8.0320 8.5703 8.5703 8.9822 8.9822 9.0793 9.0793 9.4883 9.4883 9.8707 9.8707 10.9908 10.9908 13.8822 13.8822 14.3067 14.3067 14.5580 14.5580 15.6650 15.6650 k = 0.6172-0.0677 0.4210 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6492 -17.6492 -17.6471 -17.6471 -2.5417 -2.5417 -0.7100 -0.7100 -0.4665 -0.4665 0.6618 0.6618 2.0089 2.0089 3.4948 3.4948 4.7102 4.7102 4.9021 4.9021 4.9902 4.9902 5.7493 5.7493 7.1509 7.1509 7.6844 7.6844 7.7119 7.7119 7.8728 7.8728 8.0365 8.0365 8.5733 8.5733 8.9831 8.9831 9.0784 9.0784 9.4864 9.4864 9.8660 9.8660 10.9988 10.9988 13.8581 13.8581 14.3025 14.3025 14.5796 14.5796 15.6704 15.6704 k = 0.6094-0.0631 0.4338 ( 3819 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6492 -17.6492 -17.6471 -17.6471 -2.5407 -2.5407 -0.7075 -0.7075 -0.4645 -0.4645 0.6382 0.6382 2.0391 2.0391 3.4965 3.4965 4.6143 4.6143 4.9647 4.9647 4.9964 4.9964 5.7758 5.7758 7.1505 7.1505 7.6527 7.6527 7.6645 7.6645 7.9286 7.9286 8.0490 8.0490 8.5820 8.5820 8.9857 8.9857 9.0756 9.0756 9.4805 9.4805 9.8524 9.8524 11.0223 11.0223 13.7946 13.7946 14.2863 14.2863 14.6396 14.6396 15.6861 15.6861 k = 0.6016-0.0586 0.4465 ( 3817 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6492 -17.6492 -17.6472 -17.6472 -2.5392 -2.5392 -0.7032 -0.7032 -0.4611 -0.4611 0.6013 0.6013 2.0870 2.0870 3.4993 3.4993 4.5182 4.5182 4.9261 4.9261 5.0895 5.0895 5.8165 5.8165 7.1498 7.1498 7.5939 7.5939 7.6281 7.6281 7.9881 7.9881 8.0672 8.0672 8.5960 8.5960 8.9899 8.9899 9.0709 9.0709 9.4708 9.4708 9.8309 9.8309 11.0600 11.0600 13.7075 13.7075 14.2557 14.2557 14.7267 14.7267 15.7105 15.7105 k = 0.5938-0.0541 0.4593 ( 3819 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6492 -17.6492 -17.6472 -17.6472 -2.5371 -2.5371 -0.6972 -0.6972 -0.4564 -0.4564 0.5539 0.5539 2.1499 2.1499 3.5031 3.5031 4.4222 4.4222 4.8779 4.8779 5.1811 5.1811 5.8677 5.8677 7.1483 7.1483 7.5338 7.5338 7.5840 7.5840 8.0480 8.0480 8.0893 8.0893 8.6143 8.6143 8.9956 8.9956 9.0640 9.0640 9.4573 9.4573 9.8034 9.8034 11.1104 11.1104 13.6078 13.6078 14.2131 14.2131 14.8296 14.8296 15.7413 15.7413 k = 0.5859-0.0496 0.4720 ( 3816 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6491 -17.6491 -17.6472 -17.6472 -2.5344 -2.5344 -0.6895 -0.6895 -0.4507 -0.4507 0.4989 0.4989 2.2250 2.2250 3.5079 3.5079 4.3264 4.3264 4.8232 4.8232 5.2706 5.2706 5.9263 5.9263 7.1455 7.1455 7.4752 7.4752 7.5334 7.5334 8.1060 8.1060 8.1151 8.1151 8.6361 8.6361 9.0023 9.0023 9.0550 9.0550 9.4405 9.4405 9.7716 9.7716 11.1716 11.1716 13.5012 13.5012 14.1624 14.1624 14.9412 14.9412 15.7762 15.7762 k = 0.5781-0.0451 0.4848 ( 3816 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6491 -17.6491 -17.6472 -17.6472 -2.5313 -2.5313 -0.6801 -0.6801 -0.4441 -0.4441 0.4389 0.4389 2.3098 2.3098 3.5136 3.5136 4.2311 4.2311 4.7646 4.7646 5.3576 5.3576 5.9899 5.9899 7.1407 7.1407 7.4199 7.4199 7.4778 7.4778 8.1390 8.1390 8.1666 8.1666 8.6604 8.6604 9.0090 9.0090 9.0443 9.0443 9.4204 9.4204 9.7371 9.7371 11.2420 11.2420 13.3909 13.3909 14.1072 14.1072 15.0572 15.0572 15.8131 15.8131 k = 0.5703-0.0406 0.4976 ( 3812 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6491 -17.6491 -17.6472 -17.6472 -2.5278 -2.5278 -0.6691 -0.6691 -0.4369 -0.4369 0.3763 0.3763 2.4022 2.4022 3.5201 3.5201 4.1364 4.1364 4.7040 4.7040 5.4413 5.4413 6.0566 6.0566 7.1323 7.1323 7.3698 7.3698 7.4187 7.4187 8.1668 8.1668 8.2236 8.2236 8.6862 8.6862 9.0097 9.0097 9.0373 9.0373 9.3974 9.3974 9.7013 9.7013 11.3201 11.3201 13.2782 13.2782 14.0506 14.0506 15.1747 15.1747 15.8503 15.8503 k = 0.5625-0.0361 0.5103 ( 3804 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6472 -17.6472 -2.5240 -2.5240 -0.6564 -0.6564 -0.4296 -0.4296 0.3131 0.3131 2.5005 2.5005 3.5272 3.5272 4.0424 4.0424 4.6430 4.6430 5.5210 5.5210 6.1251 6.1251 7.1188 7.1188 7.3271 7.3271 7.3573 7.3573 8.1958 8.1958 8.2793 8.2793 8.7129 8.7129 8.9956 8.9956 9.0419 9.0419 9.3720 9.3720 9.6655 9.6655 11.4048 11.4048 13.1640 13.1640 13.9950 13.9950 15.2916 15.2916 15.8865 15.8865 k = 0.5547-0.0316 0.5231 ( 3803 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6472 -17.6472 -2.5200 -2.5200 -0.6420 -0.6420 -0.4226 -0.4226 0.2511 0.2511 2.6031 2.6031 3.5348 3.5348 3.9493 3.9493 4.5827 4.5827 5.5957 5.5957 6.1944 6.1944 7.0986 7.0986 7.2902 7.2902 7.2983 7.2983 8.2260 8.2260 8.3335 8.3335 8.7397 8.7397 8.9720 8.9720 9.0525 9.0525 9.3447 9.3447 9.6306 9.6306 11.4951 11.4951 13.0488 13.0488 13.9426 13.9426 15.4061 15.4061 15.9205 15.9205 k = 0.5469-0.0271 0.5358 ( 3803 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6473 -17.6473 -2.5159 -2.5159 -0.6261 -0.6261 -0.4168 -0.4168 0.1923 0.1923 2.7088 2.7088 3.5424 3.5424 3.8570 3.8570 4.5246 4.5246 5.6644 5.6644 6.2633 6.2633 7.0721 7.0721 7.2294 7.2294 7.2729 7.2729 8.2572 8.2572 8.3863 8.3863 8.7661 8.7661 8.9422 8.9422 9.0648 9.0648 9.3161 9.3161 9.5973 9.5973 11.5902 11.5902 12.9329 12.9329 13.8949 13.8949 15.5161 15.5161 15.9514 15.9514 k = 0.5391-0.0226 0.5486 ( 3805 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6473 -17.6473 -2.5120 -2.5120 -0.6088 -0.6088 -0.4132 -0.4132 0.1384 0.1384 2.8164 2.8164 3.5498 3.5498 3.7658 3.7658 4.4698 4.4698 5.7259 5.7259 6.3308 6.3308 7.0422 7.0422 7.1664 7.1664 7.2586 7.2586 8.2890 8.2890 8.4375 8.4375 8.7912 8.7912 8.9074 8.9074 9.0777 9.0777 9.2869 9.2869 9.5663 9.5663 11.6894 11.6894 12.8164 12.8164 13.8533 13.8533 15.6196 15.6196 15.9780 15.9780 k = 0.5312-0.0180 0.5613 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6474 -17.6474 -2.5083 -2.5083 -0.5901 -0.5901 -0.4130 -0.4130 0.0915 0.0915 2.9246 2.9246 3.5565 3.5565 3.6757 3.6757 4.4200 4.4200 5.7786 5.7786 6.3955 6.3955 7.0126 7.0126 7.1053 7.1053 7.2501 7.2501 8.3209 8.3209 8.4872 8.4872 8.8120 8.8120 8.8700 8.8700 9.0903 9.0903 9.2585 9.2585 9.5383 9.5383 11.7924 11.7924 12.6997 12.6997 13.8186 13.8186 15.7139 15.7139 15.9983 15.9983 k = 0.5234-0.0135 0.5741 ( 3808 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6474 -17.6474 -2.5051 -2.5051 -0.5705 -0.5705 -0.4173 -0.4173 0.0536 0.0536 3.0321 3.0321 3.5617 3.5617 3.5868 3.5868 4.3768 4.3768 5.8212 5.8212 6.4552 6.4552 6.9863 6.9863 7.0488 7.0488 7.2452 7.2452 8.3519 8.3519 8.5351 8.5351 8.8057 8.8057 8.8528 8.8528 9.1010 9.1010 9.2328 9.2328 9.5141 9.5141 11.8985 11.8985 12.5830 12.5830 13.7914 13.7914 15.7962 15.7962 16.0101 16.0101 k = 0.5156-0.0090 0.5869 ( 3818 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6490 -17.6490 -17.6475 -17.6475 -2.5025 -2.5025 -0.5507 -0.5507 -0.4265 -0.4265 0.0264 0.0264 3.1370 3.1370 3.4991 3.4991 3.5651 3.5651 4.3426 4.3426 5.8524 5.8524 6.5061 6.5061 6.9652 6.9652 7.0012 7.0012 7.2423 7.2423 8.3801 8.3801 8.5811 8.5811 8.7623 8.7623 8.8659 8.8659 9.1077 9.1077 9.2130 9.2130 9.4947 9.4947 12.0073 12.0073 12.4666 12.4666 13.7720 13.7720 15.8632 15.8632 16.0108 16.0108 k = 0.5078-0.0045 0.5996 ( 3828 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6490 -17.6490 -17.6476 -17.6476 -2.5008 -2.5008 -0.5332 -0.5332 -0.4383 -0.4383 0.0105 0.0105 3.2369 3.2369 3.4127 3.4127 3.5661 3.5661 4.3199 4.3199 5.8713 5.8713 6.5420 6.5420 6.9490 6.9490 6.9705 6.9705 7.2408 7.2408 8.4022 8.4022 8.6250 8.6250 8.7132 8.7132 8.8785 8.8785 9.1090 9.1090 9.2020 9.2020 9.4815 9.4815 12.1180 12.1180 12.3512 12.3512 13.7604 13.7604 15.9115 15.9115 16.0016 16.0016 k = 0.5000-0.0000 0.6124 ( 3828 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6490 -17.6490 -17.6476 -17.6476 -2.5001 -2.5001 -0.5249 -0.5249 -0.4452 -0.4452 0.0055 0.0055 3.3273 3.3273 3.3282 3.3282 3.5657 3.5657 4.3117 4.3117 5.8775 5.8775 6.5553 6.5553 6.9411 6.9411 6.9614 6.9614 7.2403 7.2403 8.4118 8.4118 8.6604 8.6604 8.6741 8.6741 8.8834 8.8834 9.1080 9.1080 9.1993 9.1993 9.4767 9.4767 12.2131 12.2131 12.2546 12.2546 13.7566 13.7566 15.9315 15.9315 15.9935 15.9935 k = 0.5000-0.0000 0.6124 ( 3828 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6490 -17.6490 -17.6476 -17.6476 -2.5001 -2.5001 -0.5249 -0.5249 -0.4452 -0.4452 0.0055 0.0055 3.3273 3.3273 3.3282 3.3282 3.5657 3.5657 4.3117 4.3117 5.8775 5.8775 6.5553 6.5553 6.9411 6.9411 6.9614 6.9614 7.2403 7.2403 8.4118 8.4118 8.6604 8.6604 8.6741 8.6741 8.8834 8.8834 9.1080 9.1080 9.1993 9.1993 9.4767 9.4767 12.2131 12.2131 12.2546 12.2546 13.7566 13.7566 15.9315 15.9315 15.9935 15.9935 k = 0.5000 0.0093 0.5992 ( 3828 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6490 -17.6490 -17.6476 -17.6476 -2.5011 -2.5011 -0.5268 -0.5268 -0.4474 -0.4474 0.0133 0.0133 3.3136 3.3136 3.3255 3.3255 3.5828 3.5828 4.3152 4.3152 5.8648 5.8648 6.5299 6.5299 6.9437 6.9437 6.9921 6.9921 7.2400 7.2400 8.3901 8.3901 8.6620 8.6620 8.6849 8.6849 8.8735 8.8735 9.1130 9.1130 9.2013 9.2013 9.4893 9.4893 12.2136 12.2136 12.2551 12.2551 13.7598 13.7598 15.9186 15.9186 15.9939 15.9939 k = 0.5000 0.0186 0.5860 ( 3822 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6490 -17.6490 -17.6475 -17.6475 -2.5040 -2.5040 -0.5353 -0.5353 -0.4504 -0.4504 0.0353 0.0353 3.2795 3.2795 3.3190 3.3190 3.6258 3.6258 4.3256 4.3256 5.8265 5.8265 6.4766 6.4766 6.9295 6.9295 7.0839 7.0839 7.2386 7.2386 8.3375 8.3375 8.6543 8.6543 8.7143 8.7143 8.8541 8.8541 9.1222 9.1222 9.2066 9.2066 9.5273 9.5273 12.2150 12.2150 12.2567 12.2567 13.7695 13.7695 15.8853 15.8853 15.9918 15.9918 k = 0.5000 0.0279 0.5729 ( 3810 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6489 -17.6489 -17.6474 -17.6474 -2.5087 -2.5087 -0.5548 -0.5548 -0.4466 -0.4466 0.0685 0.0685 3.2373 3.2373 3.3083 3.3083 3.6830 3.6830 4.3426 4.3426 5.7627 5.7627 6.4239 6.4239 6.9050 6.9050 7.2025 7.2025 7.2344 7.2344 8.2707 8.2707 8.6396 8.6396 8.7278 8.7278 8.8524 8.8524 9.1284 9.1284 9.2127 9.2127 9.5890 9.5890 12.2172 12.2172 12.2596 12.2596 13.7855 13.7855 15.8387 15.8387 15.9847 15.9847 k = 0.5000 0.0372 0.5597 ( 3808 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6489 -17.6489 -17.6474 -17.6474 -2.5151 -2.5151 -0.5848 -0.5848 -0.4336 -0.4336 0.1098 0.1098 3.1933 3.1933 3.2940 3.2940 3.7480 3.7480 4.3656 4.3656 5.6762 5.6762 6.3827 6.3827 6.8725 6.8725 7.2254 7.2254 7.3332 7.3332 8.1987 8.1987 8.6193 8.6193 8.7075 8.7075 8.8850 8.8850 9.1301 9.1301 9.2170 9.2170 9.6704 9.6704 12.2201 12.2201 12.2645 12.2645 13.8075 13.8075 15.7833 15.7833 15.9726 15.9726 k = 0.5000 0.0466 0.5465 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6489 -17.6489 -17.6473 -17.6473 -2.5232 -2.5232 -0.6217 -0.6217 -0.4127 -0.4127 0.1566 0.1566 3.1501 3.1501 3.2765 3.2765 3.8182 3.8182 4.3942 4.3942 5.5721 5.5721 6.3542 6.3542 6.8334 6.8334 7.2099 7.2099 7.4689 7.4689 8.1265 8.1265 8.5943 8.5943 8.6719 8.6719 8.9335 8.9335 9.1283 9.1283 9.2185 9.2185 9.7667 9.7667 12.2234 12.2234 12.2721 12.2721 13.8351 13.8351 15.7222 15.7222 15.9560 15.9560 k = 0.5000 0.0559 0.5334 ( 3802 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6489 -17.6489 -17.6473 -17.6473 -2.5328 -2.5328 -0.6623 -0.6623 -0.3855 -0.3855 0.2070 0.2070 3.1092 3.1092 3.2562 3.2562 3.8922 3.8922 4.4274 4.4274 5.4559 5.4559 6.3358 6.3358 6.7887 6.7887 7.1863 7.1863 7.6055 7.6055 8.0574 8.0574 8.5659 8.5659 8.6327 8.6327 8.9861 8.9861 9.1243 9.1243 9.2177 9.2177 9.8739 9.8739 12.2272 12.2272 12.2829 12.2829 13.8677 13.8677 15.6574 15.6574 15.9354 15.9354 k = 0.5000 0.0652 0.5202 ( 3794 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6489 -17.6489 -17.6472 -17.6472 -2.5436 -2.5436 -0.7048 -0.7048 -0.3527 -0.3527 0.2596 0.2596 3.0713 3.0713 3.2337 3.2337 3.9693 3.9693 4.4645 4.4645 5.3326 5.3326 6.3247 6.3247 6.7389 6.7389 7.1539 7.1539 7.7392 7.7392 7.9934 7.9934 8.5363 8.5363 8.5933 8.5933 9.0381 9.0381 9.1190 9.1190 9.2158 9.2158 9.9893 9.9893 12.2317 12.2317 12.2975 12.2975 13.9048 13.9048 15.5903 15.5903 15.9106 15.9106 k = 0.5000 0.0745 0.5070 ( 3796 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6489 -17.6489 -17.6471 -17.6471 -2.5555 -2.5555 -0.7480 -0.7480 -0.3150 -0.3150 0.3134 0.3134 3.0369 3.0369 3.2093 3.2093 4.0492 4.0492 4.5042 4.5042 5.2063 5.2063 6.3188 6.3188 6.6842 6.6842 7.1129 7.1129 7.8648 7.8648 7.9357 7.9357 8.5094 8.5094 8.5548 8.5548 9.0831 9.0831 9.1152 9.1152 9.2163 9.2163 10.1107 10.1107 12.2371 12.2371 12.3162 12.3162 13.9456 13.9456 15.5220 15.5220 15.8814 15.8814 k = 0.5000 0.0838 0.4938 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6489 -17.6489 -17.6470 -17.6470 -2.5684 -2.5684 -0.7912 -0.7912 -0.2728 -0.2728 0.3677 0.3677 3.0064 3.0064 3.1834 3.1834 4.1313 4.1313 4.5443 4.5443 5.0809 5.0809 6.3164 6.3164 6.6247 6.6247 7.0643 7.0643 7.8844 7.8844 7.9734 7.9734 8.4907 8.4907 8.5202 8.5202 9.0969 9.0969 9.1283 9.1283 9.2284 9.2284 10.2369 10.2369 12.2439 12.2439 12.3393 12.3393 13.9894 13.9894 15.4535 15.4535 15.8473 15.8473 k = 0.5000 0.0931 0.4807 ( 3804 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6489 -17.6489 -17.6469 -17.6469 -2.5819 -2.5819 -0.8338 -0.8338 -0.2263 -0.2263 0.4217 0.4217 2.9802 2.9802 3.1562 3.1562 4.2155 4.2155 4.5797 4.5797 4.9629 4.9629 6.3165 6.3165 6.5601 6.5601 7.0099 7.0099 7.8394 7.8394 8.0498 8.0498 8.4684 8.4684 8.5152 8.5152 9.0909 9.0909 9.1369 9.1369 9.2623 9.2623 10.3670 10.3670 12.2525 12.2525 12.3669 12.3669 14.0351 14.0351 15.3858 15.3858 15.8075 15.8075 k = 0.5000 0.1024 0.4675 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6489 -17.6489 -17.6468 -17.6468 -2.5960 -2.5960 -0.8755 -0.8755 -0.1758 -0.1758 0.4751 0.4751 2.9584 2.9584 3.1280 3.1280 4.3014 4.3014 4.5951 4.5951 4.8685 4.8685 6.3183 6.3183 6.4902 6.4902 6.9521 6.9521 7.7995 7.7995 8.0801 8.0801 8.4323 8.4323 8.5630 8.5630 9.0831 9.0831 9.1304 9.1304 9.3114 9.3114 10.5005 10.5005 12.2634 12.2634 12.3993 12.3993 14.0815 14.0815 15.3199 15.3199 15.7617 15.7617 k = 0.5000 0.1117 0.4543 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6490 -17.6490 -17.6467 -17.6467 -2.6104 -2.6104 -0.9160 -0.9160 -0.1217 -0.1217 0.5272 0.5272 2.9413 2.9413 3.0987 3.0987 4.3882 4.3882 4.5585 4.5585 4.8310 4.8310 6.3207 6.3207 6.4154 6.4154 6.8931 6.8931 7.7638 7.7638 8.0682 8.0682 8.3933 8.3933 8.6467 8.6467 9.0759 9.0759 9.1170 9.1170 9.3667 9.3667 10.6368 10.6368 12.2769 12.2769 12.4365 12.4365 14.1273 14.1273 15.2568 15.2568 15.7097 15.7097 k = 0.5000 0.1211 0.4412 ( 3804 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6490 -17.6490 -17.6466 -17.6466 -2.6249 -2.6249 -0.9552 -0.9552 -0.0642 -0.0642 0.5777 0.5777 2.9291 2.9291 3.0686 3.0686 4.4506 4.4506 4.4945 4.4945 4.8514 4.8514 6.3162 6.3162 6.3430 6.3430 6.8348 6.8348 7.7310 7.7310 8.0299 8.0299 8.3528 8.3528 8.7462 8.7462 9.0711 9.0711 9.1018 9.1018 9.4244 9.4244 10.7756 10.7756 12.2935 12.2935 12.4784 12.4784 14.1707 14.1707 15.1980 15.1980 15.6515 15.6515 k = 0.5000 0.1304 0.4280 ( 3806 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6490 -17.6490 -17.6465 -17.6465 -2.6395 -2.6395 -0.9928 -0.9928 -0.0037 -0.0037 0.6262 0.6262 2.9217 2.9217 3.0375 3.0375 4.3515 4.3515 4.5726 4.5726 4.8976 4.8976 6.2445 6.2445 6.3333 6.3333 6.7786 6.7786 7.7005 7.7005 7.9767 7.9767 8.3106 8.3106 8.8418 8.8418 9.0655 9.0655 9.0968 9.0968 9.4831 9.4831 10.9167 10.9167 12.3136 12.3136 12.5251 12.5251 14.2095 14.2095 15.1453 15.1453 15.5877 15.5877 k = 0.5000 0.1397 0.4148 ( 3806 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6490 -17.6490 -17.6464 -17.6464 -2.6539 -2.6539 -1.0287 -1.0287 0.0598 0.0598 0.6723 0.6723 2.9189 2.9189 3.0056 3.0056 4.2362 4.2362 4.6634 4.6634 4.9541 4.9541 6.1553 6.1553 6.3371 6.3371 6.7251 6.7251 7.6715 7.6715 7.9149 7.9149 8.2667 8.2667 8.9106 8.9106 9.0490 9.0490 9.1300 9.1300 9.5420 9.5420 11.0598 11.0598 12.3374 12.3374 12.5762 12.5762 14.2410 14.2410 15.1008 15.1008 15.5192 15.5192 k = 0.5000 0.1490 0.4017 ( 3806 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6491 -17.6491 -17.6463 -17.6463 -2.6681 -2.6681 -1.0628 -1.0628 0.1258 0.1258 0.7158 0.7158 2.9192 2.9192 2.9743 2.9743 4.1211 4.1211 4.7555 4.7555 5.0161 5.0161 6.0623 6.0623 6.3414 6.3414 6.6747 6.6747 7.6434 7.6434 7.8479 7.8479 8.2208 8.2208 8.9395 8.9395 9.0279 9.0279 9.2055 9.2055 9.6007 9.6007 11.2048 11.2048 12.3652 12.3652 12.6317 12.6317 14.2625 14.2625 15.0667 15.0667 15.4469 15.4469 k = 0.5000 0.1583 0.3885 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6490 -17.6490 -17.6461 -17.6461 -2.6818 -2.6818 -1.0950 -1.0950 0.1940 0.1940 0.7563 0.7563 2.9133 2.9133 2.9522 2.9522 4.0095 4.0095 4.8481 4.8481 5.0816 5.0816 5.9672 5.9672 6.3453 6.3453 6.6274 6.6274 7.6159 7.6159 7.7775 7.7775 8.1731 8.1731 8.9438 8.9438 9.0059 9.0059 9.3030 9.3030 9.6587 9.6587 11.3515 11.3515 12.3973 12.3973 12.6911 12.6911 14.2712 14.2712 15.0449 15.0449 15.3719 15.3719 k = 0.5000 0.1676 0.3753 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6491 -17.6491 -17.6460 -17.6460 -2.6950 -2.6950 -1.1253 -1.1253 0.2641 0.2641 0.7937 0.7937 2.8846 2.8846 2.9553 2.9553 3.9030 3.9030 4.9407 4.9407 5.1497 5.1497 5.8713 5.8713 6.3485 6.3485 6.5831 6.5831 7.5886 7.5886 7.7052 7.7052 8.1237 8.1237 8.9382 8.9382 8.9840 8.9840 9.4061 9.4061 9.7155 9.7155 11.4997 11.4997 12.4339 12.4339 12.7541 12.7541 14.2656 14.2656 15.0358 15.0358 15.2957 15.2957 k = 0.5000 0.1769 0.3622 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6459 -17.6459 -2.7076 -2.7076 -1.1536 -1.1536 0.3358 0.3358 0.8278 0.8278 2.8449 2.8449 2.9711 2.9711 3.8032 3.8032 5.0325 5.0325 5.2198 5.2198 5.7762 5.7762 6.3504 6.3504 6.5416 6.5416 7.5610 7.5610 7.6321 7.6321 8.0731 8.0731 8.9284 8.9284 8.9630 8.9630 9.5078 9.5078 9.7707 9.7707 11.6490 11.6490 12.4749 12.4749 12.8203 12.8203 14.2457 14.2457 15.0365 15.0365 15.2210 15.2210 k = 0.5000 0.1862 0.3490 ( 3794 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6458 -17.6458 -2.7194 -2.7194 -1.1798 -1.1798 0.4085 0.4085 0.8587 0.8587 2.7999 2.7999 2.9929 2.9929 3.7112 3.7112 5.1222 5.1222 5.2915 5.2915 5.6839 5.6839 6.3506 6.3506 6.5024 6.5024 7.5323 7.5323 7.5595 7.5595 8.0222 8.0222 8.9167 8.9167 8.9433 8.9433 9.6051 9.6051 9.8239 9.8239 11.7991 11.7991 12.5204 12.5204 12.8893 12.8893 14.2131 14.2131 15.0367 15.0367 15.1561 15.1561 k = 0.5000 0.1956 0.3358 ( 3796 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6457 -17.6457 -2.7305 -2.7305 -1.2038 -1.2038 0.4819 0.4819 0.8862 0.8862 2.7505 2.7505 3.0190 3.0190 3.6281 3.6281 5.2069 5.2069 5.3645 5.3645 5.5982 5.5982 6.3485 6.3485 6.4654 6.4654 7.4850 7.4850 7.5059 7.5059 7.9718 7.9718 8.9040 8.9040 8.9252 8.9252 9.6962 9.6962 9.8746 9.8746 11.9496 11.9496 12.5701 12.5701 12.9605 12.9605 14.1704 14.1704 15.0062 15.0062 15.1275 15.1275 k = 0.5000 0.2049 0.3226 ( 3794 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6456 -17.6456 -2.7407 -2.7407 -1.2257 -1.2257 0.5553 0.5553 0.9105 0.9105 2.6969 2.6969 3.0482 3.0482 3.5548 3.5548 5.2768 5.2768 5.4378 5.4378 5.5299 5.5299 6.3434 6.3434 6.4302 6.4302 7.4158 7.4158 7.4749 7.4749 7.9231 7.9231 8.8911 8.8911 8.9092 8.9092 9.7802 9.7802 9.9223 9.9223 12.0997 12.0997 12.6238 12.6238 13.0335 13.0335 14.1201 14.1201 14.9398 14.9398 15.1345 15.1345 k = 0.5000 0.2142 0.3095 ( 3794 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6455 -17.6455 -2.7500 -2.7500 -1.2454 -1.2454 0.6279 0.6279 0.9317 0.9317 2.6398 2.6398 3.0795 3.0795 3.4916 3.4916 5.3014 5.3014 5.4987 5.4987 5.5229 5.5229 6.3344 6.3344 6.3966 6.3966 7.3489 7.3489 7.4432 7.4432 7.8773 7.8773 8.8782 8.8782 8.8951 8.8951 9.8564 9.8564 9.9666 9.9666 12.2485 12.2485 12.6810 12.6810 13.1079 13.1079 14.0645 14.0645 14.8612 14.8612 15.1357 15.1357 k = 0.5000 0.2235 0.2963 ( 3798 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6454 -17.6454 -2.7583 -2.7583 -1.2628 -1.2628 0.6988 0.6988 0.9498 0.9498 2.5802 2.5802 3.1116 3.1116 3.4388 3.4388 5.2633 5.2633 5.5487 5.5487 5.5931 5.5931 6.3200 6.3200 6.3645 6.3645 7.2862 7.2862 7.4104 7.4104 7.8356 7.8356 8.8659 8.8659 8.8830 8.8830 9.9243 9.9243 10.0071 10.0071 12.3947 12.3947 12.7410 12.7410 13.1834 13.1834 14.0058 14.0058 14.7772 14.7772 15.0782 15.0782 k = 0.5000 0.2328 0.2831 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6454 -17.6454 -2.7656 -2.7656 -1.2780 -1.2780 0.7667 0.7667 0.9650 0.9650 2.5199 2.5199 3.1429 3.1429 3.3963 3.3963 5.2024 5.2024 5.6201 5.6201 5.6686 5.6686 6.2990 6.2990 6.3339 6.3339 7.2288 7.2288 7.3767 7.3767 7.7990 7.7990 8.8548 8.8548 8.8725 8.8725 9.9834 9.9834 10.0433 10.0433 12.5360 12.5360 12.8026 12.8026 13.2596 13.2596 13.9456 13.9456 14.6874 14.6874 14.9792 14.9792 k = 0.5000 0.2421 0.2700 ( 3802 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6453 -17.6453 -2.7718 -2.7718 -1.2909 -1.2909 0.8302 0.8302 0.9776 0.9776 2.4610 2.4610 3.1713 3.1713 3.3640 3.3640 5.1408 5.1408 5.6965 5.6965 5.7444 5.7444 6.2705 6.2705 6.3040 6.3040 7.1781 7.1781 7.3432 7.3432 7.7681 7.7681 8.8450 8.8450 8.8637 8.8637 10.0335 10.0335 10.0749 10.0749 12.6695 12.6695 12.8648 12.8648 13.3367 13.3367 13.8861 13.8861 14.5893 14.5893 14.8790 14.8790 k = 0.5000 0.2514 0.2568 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6452 -17.6452 -2.7770 -2.7770 -1.3014 -1.3014 0.8873 0.8873 0.9876 0.9876 2.4064 2.4064 3.1946 3.1946 3.3419 3.3419 5.0854 5.0854 5.7723 5.7723 5.8189 5.8189 6.2358 6.2358 6.2720 6.2720 7.1351 7.1351 7.3115 7.3115 7.7432 7.7432 8.8369 8.8369 8.8564 8.8564 10.0745 10.0745 10.1014 10.1014 12.7905 12.7905 12.9257 12.9257 13.4145 13.4145 13.8299 13.8299 14.4815 14.4815 14.7918 14.7918 k = 0.5000 0.2607 0.2436 ( 3802 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6452 -17.6452 -2.7810 -2.7810 -1.3096 -1.3096 0.9357 0.9357 0.9953 0.9953 2.3591 2.3591 3.2105 3.2105 3.3302 3.3302 5.0393 5.0393 5.8457 5.8457 5.8911 5.8911 6.1957 6.1957 6.2357 6.2357 7.1009 7.1009 7.2838 7.2838 7.7241 7.7241 8.8304 8.8304 8.8508 8.8508 10.1060 10.1060 10.1228 10.1228 12.8927 12.8927 12.9831 12.9831 13.4923 13.4923 13.7810 13.7810 14.3668 14.3668 14.7233 14.7233 k = 0.5000 0.2701 0.2305 ( 3808 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6492 -17.6492 -17.6452 -17.6452 -2.7839 -2.7839 -1.3155 -1.3155 0.9729 0.9729 1.0007 1.0007 2.3221 2.3221 3.2185 3.2185 3.3268 3.3268 5.0049 5.0049 5.9156 5.9156 5.9594 5.9594 6.1505 6.1505 6.1943 6.1943 7.0761 7.0761 7.2619 7.2619 7.7108 7.7108 8.8258 8.8258 8.8467 8.8467 10.1277 10.1277 10.1391 10.1391 12.9685 12.9685 13.0337 13.0337 13.5639 13.5639 13.7474 13.7474 14.2545 14.2545 14.6744 14.6744 k = 0.5000 0.2794 0.2173 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6452 -17.6452 -2.7856 -2.7856 -1.3191 -1.3191 0.9962 0.9962 1.0042 1.0042 2.2985 2.2985 3.2213 3.2213 3.3277 3.3277 4.9835 4.9835 5.9814 5.9814 6.0213 6.0213 6.1001 6.1001 6.1490 6.1490 7.0611 7.0611 7.2480 7.2480 7.7029 7.7029 8.8230 8.8230 8.8442 8.8442 10.1400 10.1400 10.1498 10.1498 13.0137 13.0137 13.0705 13.0705 13.6104 13.6104 13.7424 13.7424 14.1621 14.1621 14.6450 14.6450 k = 0.5000 0.2887 0.2041 ( 3798 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6451 -17.6451 -2.7862 -2.7862 -1.3202 -1.3202 1.0029 1.0029 1.0066 1.0066 2.2904 2.2904 3.2218 3.2218 3.3285 3.3285 4.9763 4.9763 6.0350 6.0350 6.0517 6.0517 6.0596 6.0596 6.1164 6.1164 7.0561 7.0561 7.2431 7.2431 7.7003 7.7003 8.8221 8.8221 8.8434 8.8434 10.1438 10.1438 10.1536 10.1536 13.0286 13.0286 13.0841 13.0841 13.6219 13.6219 13.7521 13.7521 14.1227 14.1227 14.6352 14.6352 k = 0.5000 0.2887 0.2041 ( 3798 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6451 -17.6451 -2.7862 -2.7862 -1.3202 -1.3202 1.0029 1.0029 1.0066 1.0066 2.2904 2.2904 3.2218 3.2218 3.3285 3.3285 4.9763 4.9763 6.0350 6.0350 6.0517 6.0517 6.0596 6.0596 6.1164 6.1164 7.0561 7.0561 7.2431 7.2431 7.7003 7.7003 8.8221 8.8221 8.8434 8.8434 10.1438 10.1438 10.1536 10.1536 13.0286 13.0286 13.0841 13.0841 13.6219 13.6219 13.7521 13.7521 14.1227 14.1227 14.6352 14.6352 k = 0.4954 0.2860 0.2192 ( 3802 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6452 -17.6452 -2.7856 -2.7856 -1.3191 -1.3191 0.9963 0.9963 1.0042 1.0042 2.2984 2.2984 3.2213 3.2213 3.3277 3.3277 4.9835 4.9835 5.9816 5.9816 6.0220 6.0220 6.0995 6.0995 6.1489 6.1489 7.0610 7.0610 7.2479 7.2479 7.7029 7.7029 8.8230 8.8230 8.8442 8.8442 10.1400 10.1400 10.1498 10.1498 13.0139 13.0139 13.0706 13.0706 13.6106 13.6106 13.7424 13.7424 14.1617 14.1617 14.6449 14.6449 k = 0.4907 0.2833 0.2344 ( 3806 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6492 -17.6492 -17.6452 -17.6452 -2.7839 -2.7839 -1.3156 -1.3156 0.9732 0.9732 1.0008 1.0008 2.3218 2.3218 3.2186 3.2186 3.3268 3.3268 5.0046 5.0046 5.9143 5.9143 5.9636 5.9636 6.1455 6.1455 6.1971 6.1971 7.0758 7.0758 7.2617 7.2617 7.7107 7.7107 8.8257 8.8257 8.8466 8.8466 10.1279 10.1279 10.1392 10.1392 12.9705 12.9705 13.0324 13.0324 13.5666 13.5666 13.7453 13.7453 14.2536 14.2536 14.6739 14.6739 k = 0.4861 0.2807 0.2495 ( 3802 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6452 -17.6452 -2.7811 -2.7811 -1.3098 -1.3098 0.9362 0.9362 0.9956 0.9956 2.3582 2.3582 3.2111 3.2111 3.3297 3.3297 5.0386 5.0386 5.8386 5.8386 5.9047 5.9047 6.1759 6.1759 6.2502 6.2502 7.1000 7.1000 7.2835 7.2835 7.7239 7.7239 8.8303 8.8303 8.8507 8.8507 10.1066 10.1066 10.1230 10.1230 12.9029 12.9029 12.9718 12.9718 13.5044 13.5044 13.7712 13.7712 14.3674 14.3674 14.7216 14.7216 k = 0.4815 0.2780 0.2646 ( 3804 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6492 -17.6492 -17.6452 -17.6452 -2.7771 -2.7771 -1.3016 -1.3016 0.8878 0.8878 0.9886 0.9886 2.4047 2.4047 3.1971 3.1971 3.3399 3.3399 5.0842 5.0842 5.7556 5.7556 5.8480 5.8480 6.1903 6.1903 6.3078 6.3078 7.1325 7.1325 7.3116 7.3116 7.7427 7.7427 8.8367 8.8367 8.8563 8.8563 10.0757 10.0757 10.1015 10.1015 12.8180 12.8180 12.8894 12.8894 13.4468 13.4468 13.8053 13.8053 14.4876 14.4876 14.7869 14.7869 k = 0.4769 0.2753 0.2797 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6453 -17.6453 -2.7720 -2.7720 -1.2912 -1.2912 0.8304 0.8304 0.9799 0.9799 2.4573 2.4573 3.1785 3.1785 3.3584 3.3584 5.1391 5.1391 5.6677 5.6677 5.7935 5.7935 6.1917 6.1917 6.3678 6.3678 7.1715 7.1715 7.3444 7.3444 7.7676 7.7676 8.8448 8.8448 8.8635 8.8635 10.0358 10.0358 10.0747 10.0747 12.7211 12.7211 12.7890 12.7890 13.4011 13.4011 13.8397 13.8397 14.6071 14.6071 14.8675 14.8675 k = 0.4722 0.2726 0.2948 ( 3792 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6453 -17.6453 -2.7658 -2.7658 -1.2784 -1.2784 0.7661 0.7661 0.9695 0.9695 2.5114 2.5114 3.1597 3.1597 3.3844 3.3844 5.2001 5.2001 5.5785 5.5785 5.7406 5.7406 6.1832 6.1832 6.4292 6.4292 7.2148 7.2148 7.3805 7.3805 7.7987 7.7987 8.8544 8.8544 8.8722 8.8722 9.9873 9.9873 10.0424 10.0424 12.6137 12.6137 12.6783 12.6783 13.3669 13.3669 13.8716 13.8716 14.7210 14.7210 14.9594 14.9594 k = 0.4676 0.2700 0.3100 ( 3794 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6492 -17.6492 -17.6454 -17.6454 -2.7586 -2.7586 -1.2635 -1.2635 0.6968 0.6968 0.9576 0.9576 2.5611 2.5611 3.1469 3.1469 3.4169 3.4169 5.2592 5.2592 5.4955 5.4955 5.6893 5.6893 6.1677 6.1677 6.4917 6.4917 7.2601 7.2601 7.4187 7.4187 7.8361 7.8361 8.8656 8.8656 8.8824 8.8824 9.9305 9.9305 10.0049 10.0049 12.4947 12.4947 12.5660 12.5660 13.3418 13.3418 13.9002 13.9002 14.8254 14.8254 15.0543 15.0543 k = 0.4630 0.2673 0.3251 ( 3793 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6455 -17.6455 -2.7504 -2.7504 -1.2462 -1.2462 0.6238 0.6238 0.9445 0.9445 2.5997 2.5997 3.1471 3.1471 3.4551 3.4551 5.2832 5.2832 5.4509 5.4509 5.6395 5.6395 6.1475 6.1475 6.5548 6.5548 7.3056 7.3056 7.4580 7.4580 7.8796 7.8796 8.8779 8.8779 8.8943 8.8943 9.8657 9.8657 9.9624 9.9624 12.3645 12.3645 12.4573 12.4573 13.3240 13.3240 13.9258 13.9258 14.9145 14.9145 15.1302 15.1302 k = 0.4583 0.2646 0.3402 ( 3787 PWs) bands (ev): -51.0844 -51.0844 -25.3749 -25.3749 -17.6491 -17.6491 -17.6455 -17.6455 -2.7412 -2.7412 -1.2268 -1.2268 0.5484 0.5484 0.9302 0.9302 2.6208 2.6208 3.1668 3.1668 3.4986 3.4986 5.2283 5.2283 5.4867 5.4867 5.5919 5.5919 6.1253 6.1253 6.6185 6.6185 7.3500 7.3500 7.4980 7.4980 7.9286 7.9286 8.8910 8.8910 8.9080 8.9080 9.7935 9.7935 9.9152 9.9152 12.2268 12.2268 12.3523 12.3523 13.3123 13.3123 13.9488 13.9488 14.9753 14.9753 15.1675 15.1675 k = 0.4537 0.2619 0.3553 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6457 -17.6457 -2.7311 -2.7311 -1.2051 -1.2051 0.4714 0.4714 0.9151 0.9151 2.6219 2.6219 3.2089 3.2089 3.5468 3.5468 5.1391 5.1391 5.5339 5.5339 5.5688 5.5688 6.1040 6.1040 6.6827 6.6827 7.3923 7.3923 7.5384 7.5384 7.9821 7.9821 8.9043 8.9043 8.9237 8.9237 9.7143 9.7143 9.8636 9.8636 12.0849 12.0849 12.2505 12.2505 13.3060 13.3060 13.9700 13.9700 14.9940 14.9940 15.2071 15.2071 k = 0.4491 0.2593 0.3704 ( 3795 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6458 -17.6458 -2.7202 -2.7202 -1.1813 -1.1813 0.3936 0.3936 0.8993 0.8993 2.6053 2.6053 3.2708 3.2708 3.5995 3.5995 5.0419 5.0419 5.4946 5.4946 5.6386 5.6386 6.0877 6.0877 6.7472 6.7472 7.4322 7.4322 7.5789 7.5789 8.0389 8.0389 8.9177 8.9177 8.9414 8.9414 9.6287 9.6287 9.8079 9.8079 11.9409 11.9409 12.1516 12.1516 13.3048 13.3048 13.9898 13.9898 14.9799 14.9799 15.2602 15.2602 k = 0.4444 0.2566 0.3856 ( 3801 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6491 -17.6491 -17.6459 -17.6459 -2.7085 -2.7085 -1.1554 -1.1554 0.3154 0.3154 0.8829 0.8829 2.5761 2.5761 3.3475 3.3475 3.6564 3.6564 4.9423 4.9423 5.4504 5.4504 5.7077 5.7077 6.0831 6.0831 6.8119 6.8119 7.4696 7.4696 7.6194 7.6194 8.0976 8.0976 8.9307 8.9307 8.9608 8.9608 9.5375 9.5375 9.7485 9.7485 11.7958 11.7958 12.0559 12.0559 13.3086 13.3086 14.0086 14.0086 14.9509 14.9509 15.3150 15.3150 k = 0.4398 0.2539 0.4007 ( 3799 PWs) bands (ev): -51.0844 -51.0844 -25.3750 -25.3750 -17.6491 -17.6491 -17.6460 -17.6460 -2.6961 -2.6961 -1.1275 -1.1275 0.2376 0.2376 0.8662 0.8662 2.5389 2.5389 3.4344 3.4344 3.7172 3.7172 4.8422 4.8422 5.4071 5.4071 5.7587 5.7587 6.1003 6.1003 6.8767 6.8767 7.5047 7.5047 7.6597 7.6597 8.1570 8.1570 8.9432 8.9432 8.9813 8.9813 9.4419 9.4419 9.6859 9.6859 11.6506 11.6506 11.9635 11.9635 13.3172 13.3172 14.0269 14.0269 14.9159 14.9159 15.3655 15.3655 k = 0.4352 0.2513 0.4158 ( 3799 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6491 -17.6491 -17.6461 -17.6461 -2.6832 -2.6832 -1.0975 -1.0975 0.1604 0.1604 0.8493 0.8493 2.4970 2.4970 3.5278 3.5278 3.7817 3.7817 4.7428 4.7428 5.3650 5.3650 5.7832 5.7832 6.1468 6.1468 6.9414 6.9414 7.5379 7.5379 7.6996 7.6996 8.2158 8.2158 8.9550 8.9550 9.0016 9.0016 9.3435 9.3435 9.6206 9.6206 11.5057 11.5057 11.8747 11.8747 13.3306 13.3306 14.0449 14.0449 14.8788 14.8788 15.4102 15.4102 k = 0.4306 0.2486 0.4309 ( 3805 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6491 -17.6491 -17.6462 -17.6462 -2.6697 -2.6697 -1.0657 -1.0657 0.0843 0.0843 0.8324 0.8324 2.4527 2.4527 3.6251 3.6251 3.8496 3.8496 4.6448 4.6448 5.3241 5.3241 5.7842 5.7842 6.2190 6.2190 7.0061 7.0061 7.5695 7.5695 7.7390 7.7390 8.2727 8.2727 8.9658 8.9658 9.0169 9.0169 9.2477 9.2477 9.5532 9.5532 11.3616 11.3616 11.7897 11.7897 13.3487 13.3487 14.0628 14.0628 14.8412 14.8412 15.4494 15.4494 k = 0.4259 0.2459 0.4460 ( 3805 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6491 -17.6491 -17.6464 -17.6464 -2.6560 -2.6560 -1.0319 -1.0319 0.0096 0.0096 0.8157 0.8157 2.4074 2.4074 3.7238 3.7238 3.9208 3.9208 4.5494 4.5494 5.2846 5.2846 5.7716 5.7716 6.3068 6.3068 7.0704 7.0704 7.5997 7.5997 7.7775 7.7775 8.3268 8.3268 8.9755 8.9755 9.0096 9.0096 9.1728 9.1728 9.4844 9.4844 11.2186 11.2186 11.7085 11.7085 13.3714 13.3714 14.0809 14.0809 14.8043 14.8043 15.4834 15.4834 k = 0.4213 0.2432 0.4612 ( 3806 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6491 -17.6491 -17.6465 -17.6465 -2.6420 -2.6420 -0.9965 -0.9965 -0.0632 -0.0632 0.7991 0.7991 2.3622 2.3622 3.8211 3.8211 3.9950 3.9950 4.4587 4.4587 5.2465 5.2465 5.7524 5.7524 6.4025 6.4025 7.1343 7.1343 7.6289 7.6289 7.8149 7.8149 8.3770 8.3770 8.9461 8.9461 8.9839 8.9839 9.1523 9.1523 9.4153 9.4153 11.0770 11.0770 11.6310 11.6310 13.3985 13.3985 14.0991 14.0991 14.7686 14.7686 15.5131 15.5131 k = 0.4167 0.2406 0.4763 ( 3808 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6491 -17.6491 -17.6466 -17.6466 -2.6281 -2.6281 -0.9594 -0.9594 -0.1338 -0.1338 0.7830 0.7830 2.3176 2.3176 3.9115 3.9115 4.0718 4.0718 4.3773 4.3773 5.2097 5.2097 5.7309 5.7309 6.5013 6.5013 7.1977 7.1977 7.6573 7.6573 7.8512 7.8512 8.4223 8.4223 8.8444 8.8444 8.9904 8.9904 9.1693 9.1693 9.3471 9.3471 10.9370 10.9370 11.5573 11.5573 13.4299 13.4299 14.1178 14.1178 14.7349 14.7349 15.5389 15.5389 k = 0.4120 0.2379 0.4914 ( 3804 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6490 -17.6490 -17.6467 -17.6467 -2.6143 -2.6143 -0.9209 -0.9209 -0.2017 -0.2017 0.7673 0.7673 2.2742 2.2742 3.9816 3.9816 4.1510 4.1510 4.3183 4.3183 5.1744 5.1744 5.7096 5.7096 6.6005 6.6005 7.2603 7.2603 7.6850 7.6850 7.8859 7.8859 8.4616 8.4616 8.7296 8.7296 8.9951 8.9951 9.1985 9.1985 9.2819 9.2819 10.7989 10.7989 11.4869 11.4869 13.4655 13.4655 14.1370 14.1370 14.7033 14.7033 15.5614 15.5614 k = 0.4074 0.2352 0.5065 ( 3800 PWs) bands (ev): -51.0844 -51.0844 -25.3751 -25.3751 -17.6490 -17.6490 -17.6467 -17.6467 -2.6010 -2.6010 -0.8814 -0.8814 -0.2664 -0.2664 0.7522 0.7522 2.2324 2.2324 4.0022 4.0022 4.2325 4.2325 4.3095 4.3095 5.1405 5.1405 5.6902 5.6902 6.6975 6.6975 7.3221 7.3221 7.7125 7.7125 7.9188 7.9188 8.4938 8.4938 8.6091 8.6091 8.9978 8.9978 9.2128 9.2128 9.2417 9.2417 10.6630 10.6630 11.4196 11.4196 13.5051 13.5051 14.1568 14.1568 14.6741 14.6741 15.5810 15.5810 k = 0.4028 0.2325 0.5217 ( 3806 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6490 -17.6490 -17.6468 -17.6468 -2.5882 -2.5882 -0.8411 -0.8411 -0.3272 -0.3272 0.7378 0.7378 2.1924 2.1924 3.9636 3.9636 4.3170 4.3170 4.3587 4.3587 5.1083 5.1083 5.6740 5.6740 6.7904 6.7904 7.3828 7.3828 7.7398 7.7398 7.9492 7.9492 8.4849 8.4849 8.5185 8.5185 8.9983 8.9983 9.1630 9.1630 9.2762 9.2762 10.5297 10.5297 11.3550 11.3550 13.5486 13.5486 14.1773 14.1773 14.6476 14.6476 15.5981 15.5981 k = 0.3981 0.2299 0.5368 ( 3814 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6491 -17.6491 -17.6469 -17.6469 -2.5764 -2.5764 -0.8010 -0.8010 -0.3829 -0.3829 0.7242 0.7242 2.1544 2.1544 3.8952 3.8952 4.4047 4.4047 4.4352 4.4352 5.0778 5.0778 5.6626 5.6626 6.8770 6.8770 7.4423 7.4423 7.7672 7.7672 7.9758 7.9758 8.3593 8.3593 8.5337 8.5337 8.9965 8.9965 9.1192 9.1192 9.3174 9.3174 10.3996 10.3996 11.2924 11.2924 13.5959 13.5959 14.1984 14.1984 14.6241 14.6241 15.6130 15.6130 k = 0.3935 0.2272 0.5519 ( 3818 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6491 -17.6491 -17.6470 -17.6470 -2.5658 -2.5658 -0.7625 -0.7625 -0.4319 -0.4319 0.7114 0.7114 2.1186 2.1186 3.8167 3.8167 4.4938 4.4938 4.5188 4.5188 5.0494 5.0494 5.6576 5.6576 6.9552 6.9552 7.5005 7.5005 7.7947 7.7947 7.9973 7.9973 8.2322 8.2322 8.5412 8.5412 8.9928 8.9928 9.0877 9.0877 9.3604 9.3604 10.2734 10.2734 11.2313 11.2313 13.6467 13.6467 14.2201 14.2201 14.6035 14.6035 15.6260 15.6260 k = 0.3889 0.2245 0.5670 ( 3814 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6491 -17.6491 -17.6470 -17.6470 -2.5568 -2.5568 -0.7287 -0.7287 -0.4706 -0.4706 0.6995 0.6995 2.0851 2.0851 3.7352 3.7352 4.5829 4.5829 4.6010 4.6010 5.0238 5.0238 5.6609 5.6609 7.0231 7.0231 7.5571 7.5571 7.8212 7.8212 8.0115 8.0115 8.1043 8.1043 8.5439 8.5439 8.9880 8.9880 9.0694 9.0694 9.4037 9.4037 10.1527 10.1527 11.1712 11.1712 13.7009 13.7009 14.2423 14.2423 14.5863 14.5863 15.6375 15.6375 k = 0.3843 0.2219 0.5821 ( 3809 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6491 -17.6491 -17.6470 -17.6470 -2.5495 -2.5495 -0.7056 -0.7056 -0.4928 -0.4928 0.6886 0.6886 2.0539 2.0539 3.6536 3.6536 4.6700 4.6700 4.6777 4.6777 5.0026 5.0026 5.6744 5.6744 7.0789 7.0789 7.6118 7.6118 7.8435 7.8435 7.9758 7.9758 8.0188 8.0188 8.5468 8.5468 8.9834 8.9834 9.0633 9.0633 9.4445 9.4445 10.0401 10.0401 11.1114 11.1114 13.7583 13.7583 14.2645 14.2645 14.5726 14.5726 15.6476 15.6476 k = 0.3796 0.2192 0.5973 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6491 -17.6491 -17.6470 -17.6470 -2.5445 -2.5445 -0.7001 -0.7001 -0.4914 -0.4914 0.6787 0.6787 2.0251 2.0251 3.5730 3.5730 4.7425 4.7425 4.7531 4.7531 4.9901 4.9901 5.7003 5.7003 7.1217 7.1217 7.6635 7.6635 7.8472 7.8472 7.8558 7.8558 8.0221 8.0221 8.5550 8.5550 8.9807 8.9807 9.0672 9.0672 9.4769 9.4769 9.9419 9.9419 11.0514 11.0514 13.8188 13.8188 14.2863 14.2863 14.5630 14.5630 15.6567 15.6567 k = 0.3750 0.2165 0.6124 ( 3811 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6492 -17.6492 -17.6471 -17.6471 -2.5420 -2.5420 -0.7109 -0.7109 -0.4672 -0.4672 0.6699 0.6699 1.9986 1.9986 3.4943 3.4943 4.7974 4.7974 4.8154 4.8154 4.9990 4.9990 5.7400 5.7400 7.1510 7.1510 7.6927 7.6927 7.7432 7.7432 7.8415 7.8415 8.0320 8.0320 8.5703 8.5703 8.9822 8.9822 9.0793 9.0793 9.4884 9.4884 9.8707 9.8707 10.9908 10.9908 13.8822 13.8822 14.3067 14.3067 14.5580 14.5580 15.6650 15.6650 k = 0.6250-0.0722 0.4082 ( 3811 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6492 -17.6492 -17.6471 -17.6471 -2.5420 -2.5420 -0.7109 -0.7109 -0.4672 -0.4672 0.6699 0.6699 1.9986 1.9986 3.4943 3.4943 4.7974 4.7974 4.8155 4.8155 4.9990 4.9990 5.7400 5.7400 7.1510 7.1510 7.6927 7.6927 7.7432 7.7432 7.8415 7.8415 8.0320 8.0320 8.5703 8.5703 8.9822 8.9822 9.0793 9.0793 9.4883 9.4883 9.8707 9.8707 10.9908 10.9908 13.8822 13.8822 14.3067 14.3067 14.5580 14.5580 15.6650 15.6650 k = 0.6172-0.0857 0.4082 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6492 -17.6492 -17.6471 -17.6471 -2.5410 -2.5410 -0.7374 -0.7374 -0.4094 -0.4094 0.6563 0.6563 1.9564 1.9564 3.3643 3.3643 4.8789 4.8789 4.8935 4.8935 5.0440 5.0440 5.8198 5.8198 7.1887 7.1887 7.6240 7.6240 7.6816 7.6816 7.7947 7.7947 8.0469 8.0469 8.6064 8.6064 8.9902 8.9902 9.1079 9.1079 9.4787 9.4787 9.7860 9.7860 10.8897 10.8897 13.9943 13.9943 14.3317 14.3317 14.5621 14.5621 15.6785 15.6785 k = 0.6094-0.0992 0.4082 ( 3813 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6492 -17.6492 -17.6471 -17.6471 -2.5416 -2.5416 -0.7623 -0.7623 -0.3469 -0.3469 0.6437 0.6437 1.9149 1.9149 3.2370 3.2370 4.9607 4.9607 4.9719 4.9719 5.0892 5.0892 5.9007 5.9007 7.2249 7.2249 7.5563 7.5563 7.6191 7.6191 7.7448 7.7448 8.0397 8.0397 8.6542 8.6542 8.9982 8.9982 9.1398 9.1398 9.4673 9.4673 9.7060 9.7060 10.7919 10.7919 14.1112 14.1112 14.3393 14.3393 14.5841 14.5841 15.6926 15.6926 k = 0.6016-0.1128 0.4082 ( 3807 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6493 -17.6493 -17.6470 -17.6470 -2.5436 -2.5436 -0.7855 -0.7855 -0.2802 -0.2802 0.6319 0.6319 1.8741 1.8741 3.1129 3.1129 5.0424 5.0424 5.0504 5.0504 5.1345 5.1345 5.9825 5.9825 7.2595 7.2595 7.4899 7.4899 7.5558 7.5558 7.6923 7.6923 8.0138 8.0138 8.7119 8.7119 9.0063 9.0063 9.1725 9.1725 9.4549 9.4549 9.6308 9.6308 10.6977 10.6977 14.2315 14.2315 14.3320 14.3320 14.6215 14.6215 15.7070 15.7070 k = 0.5938-0.1263 0.4082 ( 3821 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6494 -17.6494 -17.6471 -17.6471 -2.5465 -2.5465 -0.8071 -0.8071 -0.2099 -0.2099 0.6209 0.6209 1.8335 1.8335 2.9927 2.9927 5.1238 5.1238 5.1288 5.1288 5.1796 5.1796 6.0651 6.0651 7.2920 7.2920 7.4249 7.4249 7.4918 7.4918 7.6378 7.6378 7.9738 7.9738 8.7762 8.7762 9.0149 9.0149 9.2044 9.2044 9.4418 9.4418 9.5609 9.5609 10.6072 10.6072 14.3108 14.3108 14.3587 14.3587 14.6686 14.6686 15.7218 15.7218 k = 0.5859-0.1398 0.4082 ( 3825 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6494 -17.6494 -17.6471 -17.6471 -2.5502 -2.5502 -0.8270 -0.8270 -0.1365 -0.1365 0.6109 0.6109 1.7929 1.7929 2.8772 2.8772 5.2044 5.2044 5.2065 5.2065 5.2245 5.2245 6.1482 6.1482 7.3217 7.3217 7.3619 7.3619 7.4273 7.4273 7.5823 7.5823 7.9236 7.9236 8.8436 8.8436 9.0242 9.0242 9.2345 9.2345 9.4284 9.4284 9.4966 9.4966 10.5206 10.5206 14.2893 14.2893 14.4819 14.4819 14.7212 14.7212 15.7368 15.7368 k = 0.5781-0.1534 0.4082 ( 3825 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6495 -17.6495 -17.6470 -17.6470 -2.5544 -2.5544 -0.8452 -0.8452 -0.0607 -0.0607 0.6018 0.6018 1.7518 1.7518 2.7672 2.7672 5.2673 5.2673 5.2835 5.2835 5.2851 5.2851 6.2317 6.2317 7.3010 7.3010 7.3474 7.3474 7.3626 7.3626 7.5274 7.5274 7.8663 7.8663 8.9111 8.9111 9.0347 9.0347 9.2619 9.2619 9.4137 9.4137 9.4396 9.4396 10.4381 10.4381 14.2634 14.2634 14.6051 14.6051 14.7784 14.7784 15.7521 15.7521 k = 0.5703-0.1669 0.4082 ( 3821 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6495 -17.6495 -17.6470 -17.6470 -2.5589 -2.5589 -0.8617 -0.8617 0.0169 0.0169 0.5937 0.5937 1.7098 1.7098 2.6639 2.6639 5.3101 5.3101 5.3598 5.3598 5.3622 5.3622 6.3153 6.3153 7.2429 7.2429 7.2980 7.2980 7.3647 7.3647 7.4781 7.4781 7.8038 7.8038 8.9762 8.9762 9.0469 9.0469 9.2860 9.2860 9.3804 9.3804 9.4080 9.4080 10.3600 10.3600 14.2359 14.2359 14.7190 14.7190 14.8453 14.8453 15.7677 15.7677 k = 0.5625-0.1804 0.4082 ( 3820 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6495 -17.6495 -17.6470 -17.6470 -2.5633 -2.5633 -0.8765 -0.8765 0.0955 0.0955 0.5865 0.5865 1.6664 1.6664 2.5683 2.5683 5.3510 5.3510 5.4338 5.4338 5.4374 5.4374 6.3989 6.3989 7.1880 7.1880 7.2341 7.2341 7.3581 7.3581 7.4502 7.4502 7.7375 7.7375 9.0339 9.0339 9.0638 9.0638 9.3035 9.3035 9.3384 9.3384 9.3959 9.3959 10.2868 10.2868 14.2080 14.2080 14.8075 14.8075 14.9356 14.9356 15.7834 15.7834 k = 0.5547-0.1940 0.4082 ( 3816 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6495 -17.6495 -17.6469 -17.6469 -2.5677 -2.5677 -0.8895 -0.8895 0.1740 0.1740 0.5804 0.5804 1.6212 1.6212 2.4816 2.4816 5.3895 5.3895 5.5050 5.5050 5.5095 5.5095 6.4822 6.4822 7.1370 7.1370 7.1718 7.1718 7.3196 7.3196 7.4527 7.4527 7.6684 7.6684 9.0647 9.0647 9.1033 9.1033 9.2860 9.2860 9.3328 9.3328 9.3870 9.3870 10.2190 10.2190 14.1806 14.1806 14.8678 14.8678 15.0501 15.0501 15.7992 15.7992 k = 0.5469-0.2075 0.4082 ( 3826 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6496 -17.6496 -17.6469 -17.6469 -2.5717 -2.5717 -0.9008 -0.9008 0.2511 0.2511 0.5754 0.5754 1.5742 1.5742 2.4050 2.4050 5.4251 5.4251 5.5724 5.5724 5.5773 5.5773 6.5648 6.5648 7.0905 7.0905 7.1120 7.1120 7.2701 7.2701 7.4658 7.4658 7.5974 7.5974 9.0806 9.0806 9.1514 9.1514 9.2523 9.2523 9.3455 9.3455 9.3812 9.3812 10.1571 10.1571 14.1547 14.1547 14.9126 14.9126 15.1740 15.1740 15.8148 15.8148 k = 0.5391-0.2210 0.4082 ( 3838 PWs) bands (ev): -51.0844 -51.0844 -25.3754 -25.3754 -17.6497 -17.6497 -17.6470 -17.6470 -2.5754 -2.5754 -0.9104 -0.9104 0.3250 0.3250 0.5719 0.5719 1.5259 1.5259 2.3396 2.3396 5.4571 5.4571 5.6347 5.6347 5.6393 5.6393 6.6461 6.6461 7.0492 7.0492 7.0560 7.0560 7.2206 7.2206 7.4798 7.4798 7.5254 7.5254 9.0944 9.0944 9.1924 9.1924 9.2238 9.2238 9.3557 9.3557 9.3798 9.3798 10.1021 10.1021 14.1310 14.1310 14.9482 14.9482 15.2989 15.2989 15.8302 15.8302 k = 0.5312-0.2345 0.4082 ( 3840 PWs) bands (ev): -51.0844 -51.0844 -25.3754 -25.3754 -17.6497 -17.6497 -17.6469 -17.6469 -2.5785 -2.5785 -0.9182 -0.9182 0.3930 0.3930 0.5702 0.5702 1.4778 1.4778 2.2860 2.2860 5.4848 5.4848 5.6902 5.6902 5.6941 5.6941 6.7252 6.7252 7.0056 7.0056 7.0142 7.0142 7.1751 7.1751 7.4533 7.4533 7.4923 7.4923 9.1063 9.1063 9.1995 9.1995 9.2263 9.2263 9.3629 9.3629 9.3829 9.3829 10.0549 10.0549 14.1104 14.1104 14.9765 14.9765 15.4201 15.4201 15.8456 15.8456 k = 0.5234-0.2481 0.4082 ( 3832 PWs) bands (ev): -51.0844 -51.0844 -25.3754 -25.3754 -17.6497 -17.6497 -17.6469 -17.6469 -2.5809 -2.5809 -0.9243 -0.9243 0.4508 0.4508 0.5715 0.5715 1.4327 1.4327 2.2445 2.2445 5.5073 5.5073 5.7371 5.7371 5.7398 5.7398 6.8003 6.8003 6.9627 6.9627 6.9864 6.9864 7.1364 7.1364 7.3831 7.3831 7.5023 7.5023 9.1147 9.1147 9.1849 9.1849 9.2477 9.2477 9.3697 9.3697 9.3877 9.3877 10.0165 10.0165 14.0934 14.0934 14.9981 14.9981 15.5325 15.5325 15.8621 15.8621 k = 0.5156-0.2616 0.4082 ( 3820 PWs) bands (ev): -51.0844 -51.0844 -25.3753 -25.3753 -17.6496 -17.6496 -17.6468 -17.6468 -2.5828 -2.5828 -0.9286 -0.9286 0.4924 0.4924 0.5778 0.5778 1.3946 1.3946 2.2151 2.2151 5.5240 5.5240 5.7729 5.7729 5.7744 5.7744 6.8670 6.8670 6.9297 6.9297 6.9676 6.9676 7.1067 7.1067 7.3181 7.3181 7.5096 7.5096 9.1187 9.1187 9.1774 9.1774 9.2603 9.2603 9.3772 9.3772 9.3915 9.3915 9.9880 9.9880 14.0809 14.0809 15.0132 15.0132 15.6274 15.6274 15.8819 15.8819 k = 0.5078-0.2751 0.4082 ( 3812 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6496 -17.6496 -17.6468 -17.6468 -2.5839 -2.5839 -0.9312 -0.9312 0.5139 0.5139 0.5881 0.5881 1.3686 1.3686 2.1975 2.1975 5.5343 5.5343 5.7954 5.7954 5.7961 5.7961 6.9088 6.9088 6.9129 6.9129 6.9625 6.9625 7.0881 7.0881 7.2665 7.2665 7.5140 7.5140 9.1192 9.1192 9.1753 9.1753 9.2664 9.2664 9.3836 9.3836 9.3934 9.3934 9.9704 9.9704 14.0732 14.0732 15.0222 15.0222 15.6913 15.6913 15.9057 15.9057 k = 0.5000-0.2887 0.4082 ( 3812 PWs) bands (ev): -51.0844 -51.0844 -25.3752 -25.3752 -17.6496 -17.6496 -17.6468 -17.6468 -2.5843 -2.5843 -0.9321 -0.9321 0.5197 0.5197 0.5935 0.5935 1.3593 1.3593 2.1917 2.1917 5.5378 5.5378 5.8030 5.8030 5.8036 5.8036 6.9016 6.9016 6.9247 6.9247 6.9683 6.9683 7.0819 7.0819 7.2451 7.2451 7.5155 7.5155 9.1189 9.1189 9.1751 9.1751 9.2681 9.2681 9.3864 9.3864 9.3936 9.3936 9.9644 9.9644 14.0705 14.0705 15.0252 15.0252 15.7132 15.7132 15.9191 15.9191 Writing output data file HfB12.save init_run : 0.18s CPU 0.30s WALL ( 1 calls) electrons : 172.91s CPU 175.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 172.90s CPU 175.24s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 291 calls) cegterg : 150.48s CPU 152.28s WALL ( 412 calls) Called by sum_band: Called by *egterg: h_psi : 97.81s CPU 99.32s WALL ( 6844 calls) s_psi : 5.06s CPU 5.15s WALL ( 6844 calls) g_psi : 0.21s CPU 0.19s WALL ( 6141 calls) cdiaghg : 52.49s CPU 52.70s WALL ( 6432 calls) cegterg:over : 5.27s CPU 5.36s WALL ( 6141 calls) cegterg:upda : 4.24s CPU 4.47s WALL ( 6141 calls) cegterg:last : 2.48s CPU 2.50s WALL ( 994 calls) cdiaghg:chol : 2.88s CPU 2.98s WALL ( 6432 calls) cdiaghg:inve : 2.06s CPU 2.07s WALL ( 6432 calls) cdiaghg:para : 3.07s CPU 3.21s WALL ( 12864 calls) Called by h_psi: h_psi:vloc : 84.35s CPU 85.78s WALL ( 6844 calls) h_psi:vnl : 13.30s CPU 13.34s WALL ( 6844 calls) add_vuspsi : 6.30s CPU 6.38s WALL ( 6844 calls) General routines calbec : 6.98s CPU 6.95s WALL ( 6844 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 79.14s CPU 80.41s WALL ( 787768 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.19s WALL ( 582 calls) Parallel routines fft_scatter : 24.72s CPU 25.22s WALL ( 787791 calls) PWSCF : 3m 7.60s CPU 3m20.17s WALL This run was terminated on: 13:41:24 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=